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 2hig_1_B DATA FIRST_RESID 9 DATA SEQUENCE VTSKLVKAHR AMLNSVTQED LKVDRLPGAD YPNPSXXXXX XXXXXXXTDY DATA SEQUENCE IMYNPRPRXE PSSENPVSVS PLLCELAAAR SRIHFNPTET TIGIVTCGGI DATA SEQUENCE CPGLNDVIRS ITLTGINVYN VKRVIGFRFG YWGLSKKGSQ TAIELHRGRV DATA SEQUENCE TNIHHYGGTI LGSSRGPQDP KEMVDTLERL GVNILFTVGG DGTQRGALVI DATA SEQUENCE SQEAKRRGVD ISVFGVPKTI DNDLSFSHRT FGFQTAVEKA VQAIRAAYAE DATA SEQUENCE AVSANYGVGV VKLMGRDSGF IAAQAAVASA QANICLVPEN PISEQEVMSL DATA SEQUENCE LERRFCHSRS CVIIVAEGFG QDWXXXXXXX XXXXXKKLID IGVILTEKVK DATA SEQUENCE AFLKANKSRY PDSTVKYIDP SYMIRACPPS ANDALFCATL ATLAVHEAMA DATA SEQUENCE GATGCIIAMR HNNYILVPIK VATSVRRVLD LRGQLWRQVR EITVDLG 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 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.099 176.094 0.008 0.000 1.182 9 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 9 V CB 0.000 31.779 31.823 -0.073 0.000 1.184 10 T N -0.770 113.793 114.554 0.014 0.000 3.058 10 T HA 0.619 4.969 4.350 0.000 0.000 0.278 10 T C 0.407 175.208 174.700 0.168 0.000 0.974 10 T CA 0.690 62.843 62.100 0.089 0.000 0.893 10 T CB -0.269 68.659 68.868 0.100 0.000 1.138 10 T HN 1.905 nan 8.240 nan 0.000 0.529 11 S N 0.778 116.552 115.700 0.123 0.000 2.651 11 S HA 0.824 5.294 4.470 0.000 0.000 0.279 11 S C -1.355 173.294 174.600 0.082 0.000 1.148 11 S CA -0.992 57.326 58.200 0.196 0.000 0.837 11 S CB 2.773 66.133 63.200 0.267 0.000 1.138 11 S HN 0.683 nan 8.310 nan 0.000 0.478 12 K N -0.242 120.205 120.400 0.078 0.000 2.522 12 K HA 0.713 5.033 4.320 0.000 0.000 0.275 12 K C -1.921 174.696 176.600 0.027 0.000 1.006 12 K CA -1.055 55.249 56.287 0.028 0.000 0.890 12 K CB 0.841 33.343 32.500 0.003 0.000 1.475 12 K HN 0.393 nan 8.250 nan 0.000 0.441 13 L N 1.164 122.391 121.223 0.006 0.000 2.334 13 L HA 0.573 4.913 4.340 0.000 0.000 0.275 13 L C -0.710 176.157 176.870 -0.005 0.000 1.036 13 L CA -0.470 54.371 54.840 0.002 0.000 0.807 13 L CB 1.824 43.875 42.059 -0.014 0.000 1.231 13 L HN 0.601 nan 8.230 nan 0.000 0.438 14 V N -0.843 119.068 119.914 -0.005 0.000 2.851 14 V HA 0.516 4.636 4.120 0.000 0.000 0.307 14 V C -0.518 175.561 176.094 -0.025 0.000 1.129 14 V CA -1.395 60.890 62.300 -0.025 0.000 0.932 14 V CB 1.519 33.313 31.823 -0.048 0.000 1.024 14 V HN 0.626 nan 8.190 nan 0.000 0.426 15 K N 3.101 123.481 120.400 -0.033 0.000 2.473 15 K HA 0.378 4.698 4.320 0.000 0.000 0.277 15 K C 0.680 177.245 176.600 -0.059 0.000 1.052 15 K CA 0.845 57.115 56.287 -0.029 0.000 1.114 15 K CB 0.425 32.904 32.500 -0.035 0.000 0.869 15 K HN 1.152 nan 8.250 nan 0.000 0.481 16 A N 3.499 126.312 122.820 -0.013 0.000 2.462 16 A HA 0.006 4.326 4.320 0.000 0.000 0.243 16 A C 0.938 178.519 177.584 -0.004 0.000 1.076 16 A CA -0.328 51.712 52.037 0.004 0.000 0.773 16 A CB 0.103 19.146 19.000 0.070 0.000 1.010 16 A HN 0.862 nan 8.150 nan 0.000 0.493 17 H N 1.110 120.192 119.070 0.020 0.000 2.407 17 H HA -0.168 4.389 4.556 0.001 0.000 0.293 17 H C 0.588 175.925 175.328 0.015 0.000 1.122 17 H CA 2.154 58.211 56.048 0.015 0.000 1.232 17 H CB 0.258 30.029 29.762 0.016 0.000 1.361 17 H HN 0.568 nan 8.280 nan 0.000 0.498 18 R N 0.408 120.992 120.500 0.140 0.000 2.494 18 R HA 0.440 4.780 4.340 0.000 0.000 0.284 18 R C -1.000 175.332 176.300 0.054 0.000 1.525 18 R CA -0.193 55.956 56.100 0.081 0.000 1.460 18 R CB 1.043 31.387 30.300 0.074 0.000 1.134 18 R HN 0.137 nan 8.270 nan 0.000 0.592 19 A N 2.302 125.145 122.820 0.038 0.000 2.310 19 A HA 0.349 4.669 4.320 0.000 0.000 0.299 19 A C 0.720 178.314 177.584 0.016 0.000 1.147 19 A CA -0.450 51.604 52.037 0.028 0.000 0.818 19 A CB 0.667 19.681 19.000 0.022 0.000 1.096 19 A HN 0.748 nan 8.150 nan 0.000 0.495 20 M N 1.017 120.623 119.600 0.009 0.000 2.466 20 M HA 0.208 4.688 4.480 0.000 0.000 0.265 20 M C -0.272 176.023 176.300 -0.007 0.000 1.122 20 M CA 1.005 56.304 55.300 -0.002 0.000 1.157 20 M CB 0.013 32.607 32.600 -0.010 0.000 1.352 20 M HN 0.563 nan 8.290 nan 0.000 0.464 21 L N -0.388 120.831 121.223 -0.006 0.000 2.334 21 L HA 0.362 4.702 4.340 0.000 0.000 0.273 21 L C -0.162 176.709 176.870 0.001 0.000 1.013 21 L CA -0.482 54.353 54.840 -0.009 0.000 0.816 21 L CB 1.492 43.540 42.059 -0.019 0.000 1.278 21 L HN 0.013 nan 8.230 nan 0.000 0.431 22 N N -0.022 118.677 118.700 -0.001 0.000 2.197 22 N HA 0.127 4.867 4.740 0.000 0.000 0.228 22 N C -1.039 174.472 175.510 0.001 0.000 1.212 22 N CA -0.128 52.923 53.050 0.002 0.000 0.883 22 N CB 0.883 39.369 38.487 -0.001 0.000 1.107 22 N HN 0.665 nan 8.380 nan 0.000 0.519 23 S N -1.975 113.724 115.700 -0.000 0.000 2.578 23 S HA 0.586 5.056 4.470 0.000 0.000 0.272 23 S C -1.471 173.123 174.600 -0.010 0.000 1.145 23 S CA -0.821 57.377 58.200 -0.004 0.000 0.835 23 S CB 1.382 64.577 63.200 -0.009 0.000 1.104 23 S HN -0.207 nan 8.310 nan 0.000 0.458 24 V N 1.887 121.791 119.914 -0.016 0.000 2.709 24 V HA 0.845 4.965 4.120 0.000 0.000 0.308 24 V C 0.454 176.518 176.094 -0.050 0.000 1.062 24 V CA 0.036 62.315 62.300 -0.034 0.000 0.901 24 V CB 1.719 33.531 31.823 -0.018 0.000 1.003 24 V HN 1.300 nan 8.190 nan 0.000 0.425 25 T N 0.842 115.360 114.554 -0.059 0.000 2.841 25 T HA 0.404 4.754 4.350 0.000 0.000 0.276 25 T C 0.601 175.254 174.700 -0.077 0.000 1.003 25 T CA -0.287 61.777 62.100 -0.059 0.000 0.995 25 T CB 1.801 70.641 68.868 -0.048 0.000 1.260 25 T HN 0.415 nan 8.240 nan 0.000 0.581 26 Q N -0.107 119.648 119.800 -0.076 0.000 2.230 26 Q HA -0.026 4.314 4.340 0.000 0.000 0.202 26 Q C 1.916 177.860 176.000 -0.094 0.000 0.963 26 Q CA 1.551 57.297 55.803 -0.096 0.000 0.866 26 Q CB -0.369 28.309 28.738 -0.100 0.000 0.931 26 Q HN 0.686 nan 8.270 nan 0.000 0.452 27 E N 0.702 120.859 120.200 -0.072 0.000 2.106 27 E HA -0.147 4.203 4.350 0.000 0.000 0.192 27 E C 1.461 178.021 176.600 -0.068 0.000 0.984 27 E CA 1.143 57.507 56.400 -0.060 0.000 0.806 27 E CB -0.213 29.459 29.700 -0.046 0.000 0.750 27 E HN 0.523 nan 8.360 nan 0.000 0.458 28 D N 0.580 120.932 120.400 -0.080 0.000 2.221 28 D HA -0.135 4.505 4.640 0.000 0.000 0.204 28 D C 1.976 178.200 176.300 -0.126 0.000 0.982 28 D CA 0.678 54.620 54.000 -0.098 0.000 0.857 28 D CB -0.048 40.689 40.800 -0.105 0.000 0.934 28 D HN 0.219 nan 8.370 nan 0.000 0.475 29 L N 0.077 121.223 121.223 -0.128 0.000 2.446 29 L HA 0.021 4.362 4.340 0.000 0.000 0.219 29 L C 0.831 177.662 176.870 -0.066 0.000 1.116 29 L CA 0.302 55.062 54.840 -0.134 0.000 0.844 29 L CB 0.047 42.030 42.059 -0.127 0.000 0.970 29 L HN -0.228 nan 8.230 nan 0.000 0.457 30 K N 1.135 121.508 120.400 -0.045 0.000 2.416 30 K HA 0.187 4.507 4.320 0.000 0.000 0.283 30 K C -0.366 176.236 176.600 0.002 0.000 1.037 30 K CA -0.311 55.984 56.287 0.014 0.000 0.995 30 K CB 1.300 33.808 32.500 0.012 0.000 0.938 30 K HN -0.133 nan 8.250 nan 0.000 0.475 31 V N 2.901 122.834 119.914 0.032 0.000 2.614 31 V HA -0.046 4.075 4.120 0.000 0.000 0.291 31 V C 0.336 176.428 176.094 -0.003 0.000 1.049 31 V CA -0.374 61.928 62.300 0.004 0.000 1.038 31 V CB 1.008 32.848 31.823 0.029 0.000 0.980 31 V HN 0.701 nan 8.190 nan 0.000 0.481 32 D N 4.382 124.765 120.400 -0.028 0.000 2.348 32 D HA 0.202 4.843 4.640 0.000 0.000 0.253 32 D C -0.078 176.202 176.300 -0.033 0.000 1.161 32 D CA -0.099 53.881 54.000 -0.034 0.000 0.876 32 D CB 0.462 41.234 40.800 -0.048 0.000 1.160 32 D HN 0.336 nan 8.370 nan 0.000 0.459 33 R N 3.552 124.025 120.500 -0.044 0.000 2.562 33 R HA 0.334 4.675 4.340 0.000 0.000 0.298 33 R C -0.521 175.693 176.300 -0.144 0.000 0.961 33 R CA -1.105 54.952 56.100 -0.072 0.000 0.881 33 R CB 1.245 31.518 30.300 -0.045 0.000 1.159 33 R HN 0.408 nan 8.270 nan 0.000 0.450 34 L N 4.505 125.562 121.223 -0.277 0.000 2.483 34 L HA 0.157 4.497 4.340 0.000 0.000 0.275 34 L C -1.629 175.034 176.870 -0.345 0.000 1.220 34 L CA -1.501 53.076 54.840 -0.439 0.000 0.833 34 L CB -0.299 41.155 42.059 -1.008 0.000 1.102 34 L HN 0.406 nan 8.230 nan 0.000 0.490 35 P HA 0.241 nan 4.420 nan 0.000 0.271 35 P C -0.082 177.243 177.300 0.042 0.000 1.226 35 P CA 0.150 63.216 63.100 -0.057 0.000 0.765 35 P CB 0.647 32.331 31.700 -0.027 0.000 0.835 36 G N 2.139 110.955 108.800 0.027 0.000 2.767 36 G HA2 0.229 4.189 3.960 0.000 0.000 0.686 36 G HA3 0.229 4.189 3.960 0.000 0.000 0.686 36 G C -0.603 174.345 174.900 0.080 0.000 1.213 36 G CA -0.330 44.790 45.100 0.034 0.000 0.803 36 G HN 0.746 nan 8.290 nan 0.000 0.603 37 A N 1.584 124.400 122.820 -0.008 0.000 2.984 37 A HA 0.673 4.993 4.320 0.000 0.000 0.320 37 A C 0.627 178.150 177.584 -0.101 0.000 1.142 37 A CA 0.509 52.539 52.037 -0.011 0.000 0.772 37 A CB 0.621 19.637 19.000 0.026 0.000 1.195 37 A HN 0.542 nan 8.150 nan 0.000 0.459 38 D N 0.273 120.514 120.400 -0.266 0.000 2.149 38 D HA 0.031 4.671 4.640 0.000 0.000 0.206 38 D C -0.059 176.008 176.300 -0.388 0.000 0.967 38 D CA 1.509 55.258 54.000 -0.419 0.000 0.848 38 D CB -0.052 40.319 40.800 -0.715 0.000 0.998 38 D HN 0.616 nan 8.370 nan 0.000 0.474 39 Y N 1.854 122.145 120.300 -0.014 0.000 2.411 39 Y HA 0.236 4.787 4.550 0.000 0.000 0.333 39 Y C -1.725 174.198 175.900 0.038 0.000 1.186 39 Y CA -2.212 55.895 58.100 0.013 0.000 1.381 39 Y CB -0.115 38.357 38.460 0.021 0.000 1.273 39 Y HN -0.078 nan 8.280 nan 0.000 0.546 40 P HA -0.001 nan 4.420 nan 0.000 0.282 40 P C -0.511 176.884 177.300 0.159 0.000 1.249 40 P CA -0.504 62.673 63.100 0.128 0.000 0.806 40 P CB 0.976 32.728 31.700 0.087 0.000 0.984 41 N N 3.207 121.994 118.700 0.144 0.000 2.447 41 N HA 0.039 4.780 4.740 0.000 0.000 0.263 41 N C -1.712 173.854 175.510 0.093 0.000 1.226 41 N CA -1.273 51.882 53.050 0.176 0.000 0.906 41 N CB -0.140 38.437 38.487 0.150 0.000 1.060 41 N HN 0.177 nan 8.380 nan 0.000 0.468 42 P HA 0.018 nan 4.420 nan 0.000 0.301 42 P C -0.782 176.479 177.300 -0.065 0.000 1.560 42 P CA 0.384 63.481 63.100 -0.006 0.000 0.784 42 P CB -0.301 31.386 31.700 -0.022 0.000 1.715 57 D N 2.398 122.598 120.400 -0.334 0.000 2.424 57 D HA 0.457 5.097 4.640 0.000 0.000 0.244 57 D C -0.187 175.931 176.300 -0.303 0.000 1.134 57 D CA 0.607 54.456 54.000 -0.251 0.000 0.881 57 D CB 0.400 41.151 40.800 -0.081 0.000 1.191 57 D HN 0.470 nan 8.370 nan 0.000 0.445 58 Y N 0.657 120.990 120.300 0.054 0.000 2.602 58 Y HA 0.621 5.171 4.550 0.001 0.000 0.330 58 Y C 0.119 176.059 175.900 0.068 0.000 1.114 58 Y CA -1.146 56.993 58.100 0.064 0.000 1.182 58 Y CB 1.140 39.635 38.460 0.058 0.000 1.305 58 Y HN 0.249 nan 8.280 nan 0.000 0.502 59 I N 0.946 121.686 120.570 0.283 0.000 2.865 59 I HA 0.404 4.574 4.170 0.000 0.000 0.302 59 I C -1.234 174.988 176.117 0.176 0.000 1.140 59 I CA -1.109 60.301 61.300 0.183 0.000 1.021 59 I CB 1.751 39.848 38.000 0.162 0.000 1.233 59 I HN 0.535 nan 8.210 nan 0.000 0.427 60 M N 5.304 124.976 119.600 0.120 0.000 2.217 60 M HA 0.103 4.584 4.480 0.000 0.000 0.354 60 M C 0.231 176.629 176.300 0.164 0.000 1.225 60 M CA 0.122 55.492 55.300 0.116 0.000 1.137 60 M CB 0.862 33.491 32.600 0.048 0.000 1.576 60 M HN 0.668 nan 8.290 nan 0.000 0.461 61 Y N 2.855 123.215 120.300 0.101 0.000 2.181 61 Y HA -0.096 4.454 4.550 0.000 0.000 0.288 61 Y C 0.686 176.681 175.900 0.159 0.000 1.146 61 Y CA 1.546 59.730 58.100 0.141 0.000 1.164 61 Y CB 0.275 38.809 38.460 0.123 0.000 0.982 61 Y HN 0.589 nan 8.280 nan 0.000 0.515 62 N N 0.694 119.422 118.700 0.047 0.000 2.531 62 N HA 0.214 4.954 4.740 0.000 0.000 0.268 62 N C -2.560 172.919 175.510 -0.051 0.000 1.023 62 N CA -2.200 50.823 53.050 -0.044 0.000 0.896 62 N CB 1.599 40.112 38.487 0.044 0.000 1.233 62 N HN 0.046 nan 8.380 nan 0.000 0.512 63 P HA 0.057 nan 4.420 nan 0.000 0.249 63 P C -0.303 176.945 177.300 -0.088 0.000 1.241 63 P CA 0.231 63.239 63.100 -0.153 0.000 0.781 63 P CB 0.332 31.853 31.700 -0.298 0.000 1.088 64 R N 1.479 121.945 120.500 -0.056 0.000 2.404 64 R HA 0.424 4.764 4.340 0.000 0.000 0.291 64 R C -2.096 174.197 176.300 -0.011 0.000 1.025 64 R CA -1.688 54.395 56.100 -0.029 0.000 0.991 64 R CB 0.679 30.968 30.300 -0.018 0.000 1.053 64 R HN 0.180 nan 8.270 nan 0.000 0.479 65 P HA 0.503 nan 4.420 nan 0.000 0.330 65 P C -1.040 176.262 177.300 0.004 0.000 1.274 65 P CA -0.542 62.557 63.100 -0.000 0.000 0.802 65 P CB 1.764 33.462 31.700 -0.003 0.000 1.384 69 P HA 0.016 nan 4.420 nan 0.000 0.250 69 P C -0.510 176.791 177.300 0.001 0.000 1.239 69 P CA 0.462 63.562 63.100 0.000 0.000 0.756 69 P CB -0.171 31.529 31.700 0.000 0.000 1.013 70 S N -0.512 115.189 115.700 0.002 0.000 2.945 70 S HA -0.043 4.427 4.470 0.000 0.000 0.344 70 S C 0.332 174.934 174.600 0.003 0.000 1.066 70 S CA -0.253 57.949 58.200 0.002 0.000 1.721 70 S CB -1.449 61.753 63.200 0.003 0.000 1.330 70 S HN 0.148 nan 8.310 nan 0.000 0.623 71 S N 2.674 118.376 115.700 0.003 0.000 4.678 71 S HA -0.097 4.373 4.470 0.000 0.000 0.562 71 S C 0.271 174.873 174.600 0.004 0.000 0.956 71 S CA 1.010 59.211 58.200 0.003 0.000 1.106 71 S CB -0.611 62.591 63.200 0.003 0.000 1.970 71 S HN 1.017 nan 8.310 nan 0.000 0.358 72 E N 1.343 121.545 120.200 0.004 0.000 7.527 72 E HA -0.147 4.203 4.350 0.000 0.000 0.389 72 E C -0.260 176.344 176.600 0.005 0.000 0.568 72 E CA 0.300 56.703 56.400 0.005 0.000 1.067 72 E CB -0.927 28.776 29.700 0.005 0.000 0.942 72 E HN 0.837 nan 8.360 nan 0.000 0.262 73 N N 2.431 121.135 118.700 0.006 0.000 2.240 73 N HA -0.147 4.594 4.740 0.000 0.000 0.360 73 N C -2.257 173.257 175.510 0.006 0.000 1.163 73 N CA 1.128 54.182 53.050 0.007 0.000 0.713 73 N CB -0.036 38.456 38.487 0.009 0.000 0.996 73 N HN 0.289 nan 8.380 nan 0.000 0.554 74 P HA 0.061 nan 4.420 nan 0.000 0.268 74 P C -0.443 176.861 177.300 0.006 0.000 1.205 74 P CA -0.224 62.878 63.100 0.004 0.000 0.771 74 P CB 0.980 32.680 31.700 -0.000 0.000 0.858 75 V N 2.294 122.212 119.914 0.007 0.000 2.483 75 V HA 0.268 4.388 4.120 0.000 0.000 0.295 75 V C 0.389 176.491 176.094 0.012 0.000 1.035 75 V CA -0.556 61.751 62.300 0.011 0.000 0.896 75 V CB 1.565 33.395 31.823 0.011 0.000 0.986 75 V HN 0.819 nan 8.190 nan 0.000 0.447 76 S N 4.175 119.885 115.700 0.017 0.000 2.560 76 S HA 0.098 4.568 4.470 0.000 0.000 0.284 76 S C 1.028 175.645 174.600 0.028 0.000 1.327 76 S CA 0.072 58.285 58.200 0.022 0.000 1.055 76 S CB 1.374 64.595 63.200 0.035 0.000 0.868 76 S HN 0.739 nan 8.310 nan 0.000 0.506 77 V N 3.747 123.680 119.914 0.031 0.000 2.759 77 V HA 0.010 4.130 4.120 0.000 0.000 0.256 77 V C 1.357 177.481 176.094 0.050 0.000 1.080 77 V CA 1.590 63.910 62.300 0.035 0.000 1.101 77 V CB -0.374 31.470 31.823 0.034 0.000 0.698 77 V HN 0.801 nan 8.190 nan 0.000 0.477 78 S N -0.954 114.790 115.700 0.073 0.000 2.578 78 S HA 0.456 4.926 4.470 0.000 0.000 0.301 78 S C -1.856 172.784 174.600 0.067 0.000 1.091 78 S CA -1.302 56.954 58.200 0.093 0.000 1.032 78 S CB 1.882 65.198 63.200 0.193 0.000 1.064 78 S HN 0.102 nan 8.310 nan 0.000 0.508 79 P HA 0.244 nan 4.420 nan 0.000 0.234 79 P C -0.283 177.016 177.300 -0.000 0.000 1.175 79 P CA 0.145 63.252 63.100 0.011 0.000 0.801 79 P CB -0.018 31.678 31.700 -0.006 0.000 0.891 80 L N 0.157 121.390 121.223 0.016 0.000 2.485 80 L HA 0.131 4.471 4.340 0.000 0.000 0.275 80 L C 0.390 177.292 176.870 0.054 0.000 1.207 80 L CA 0.289 55.128 54.840 -0.001 0.000 0.855 80 L CB -0.154 41.867 42.059 -0.065 0.000 1.114 80 L HN -0.100 nan 8.230 nan 0.000 0.485 81 L N 1.868 123.080 121.223 -0.018 0.000 2.409 81 L HA 0.513 4.853 4.340 0.000 0.000 0.262 81 L C -1.014 175.875 176.870 0.032 0.000 0.992 81 L CA -0.527 54.305 54.840 -0.013 0.000 0.817 81 L CB 2.501 44.414 42.059 -0.243 0.000 1.350 81 L HN 0.646 nan 8.230 nan 0.000 0.411 82 C N 1.006 120.414 119.300 0.180 0.000 2.417 82 C HA 0.355 4.815 4.460 0.000 0.000 0.324 82 C C 0.229 175.428 174.990 0.349 0.000 1.240 82 C CA -0.719 58.435 59.018 0.228 0.000 1.632 82 C CB 1.455 29.352 27.740 0.260 0.000 2.241 82 C HN 0.743 nan 8.230 nan 0.000 0.499 83 E N 2.004 122.414 120.200 0.350 0.000 2.338 83 E HA 0.375 4.725 4.350 0.000 0.000 0.272 83 E C -1.047 175.668 176.600 0.191 0.000 1.029 83 E CA -0.277 56.318 56.400 0.324 0.000 0.872 83 E CB 0.582 30.435 29.700 0.254 0.000 1.015 83 E HN 0.553 nan 8.360 nan 0.000 0.417 84 L N 3.510 124.810 121.223 0.129 0.000 2.305 84 L HA 0.365 4.705 4.340 0.000 0.000 0.281 84 L C 0.295 177.243 176.870 0.129 0.000 1.085 84 L CA -0.644 54.277 54.840 0.134 0.000 0.813 84 L CB 1.303 43.426 42.059 0.106 0.000 1.157 84 L HN 0.613 nan 8.230 nan 0.000 0.436 85 A N 3.277 126.207 122.820 0.183 0.000 2.425 85 A HA 0.759 5.079 4.320 0.000 0.000 0.249 85 A C 0.051 177.710 177.584 0.125 0.000 1.084 85 A CA 0.261 52.405 52.037 0.179 0.000 0.781 85 A CB 0.487 19.625 19.000 0.231 0.000 1.019 85 A HN 0.895 nan 8.150 nan 0.000 0.490 86 A N 0.678 123.554 122.820 0.093 0.000 2.583 86 A HA 0.704 5.024 4.320 0.000 0.000 0.292 86 A C -0.223 177.351 177.584 -0.016 0.000 1.045 86 A CA -0.087 51.966 52.037 0.027 0.000 0.672 86 A CB -0.023 18.984 19.000 0.012 0.000 1.283 86 A HN 2.472 nan 8.150 nan 0.000 0.419 87 A N 1.403 124.108 122.820 -0.192 0.000 2.440 87 A HA 0.628 4.948 4.320 0.000 0.000 0.251 87 A C 0.228 177.756 177.584 -0.093 0.000 1.089 87 A CA -0.132 51.708 52.037 -0.327 0.000 0.779 87 A CB 0.062 18.593 19.000 -0.783 0.000 1.022 87 A HN 0.679 nan 8.150 nan 0.000 0.492 88 R N 1.633 122.141 120.500 0.013 0.000 2.668 88 R HA 0.383 4.723 4.340 0.000 0.000 0.279 88 R C 1.194 177.527 176.300 0.056 0.000 0.976 88 R CA 0.077 56.200 56.100 0.038 0.000 0.978 88 R CB 1.230 31.571 30.300 0.068 0.000 1.133 88 R HN 0.880 nan 8.270 nan 0.000 0.484 89 S N 0.610 116.332 115.700 0.037 0.000 2.414 89 S HA 0.029 4.499 4.470 0.000 0.000 0.227 89 S C 0.746 175.386 174.600 0.066 0.000 1.022 89 S CA 0.502 58.727 58.200 0.042 0.000 0.958 89 S CB 0.135 63.347 63.200 0.020 0.000 0.797 89 S HN 0.350 nan 8.310 nan 0.000 0.493 90 R N 1.439 121.977 120.500 0.063 0.000 2.343 90 R HA 0.653 4.993 4.340 0.000 0.000 0.320 90 R C -0.431 175.927 176.300 0.097 0.000 0.956 90 R CA -0.732 55.408 56.100 0.067 0.000 0.836 90 R CB 1.127 31.446 30.300 0.031 0.000 1.151 90 R HN 0.594 nan 8.270 nan 0.000 0.450 91 I N -1.265 119.389 120.570 0.140 0.000 2.910 91 I HA 0.482 4.652 4.170 0.000 0.000 0.310 91 I C 0.624 176.842 176.117 0.168 0.000 1.043 91 I CA -0.820 60.582 61.300 0.170 0.000 1.053 91 I CB 2.056 40.185 38.000 0.214 0.000 1.242 91 I HN 0.665 nan 8.210 nan 0.000 0.452 92 H N 2.952 122.042 119.070 0.033 0.000 2.343 92 H HA 0.280 4.836 4.556 0.000 0.000 0.303 92 H C -0.223 175.050 175.328 -0.091 0.000 1.068 92 H CA 1.171 57.142 56.048 -0.128 0.000 1.359 92 H CB 0.060 29.594 29.762 -0.380 0.000 1.402 92 H HN 0.476 nan 8.280 nan 0.000 0.515 93 F N 0.689 120.637 119.950 -0.003 0.000 2.371 93 F HA 0.174 4.701 4.527 0.000 0.000 0.329 93 F C 0.870 176.557 175.800 -0.188 0.000 1.107 93 F CA -0.874 57.062 58.000 -0.106 0.000 1.137 93 F CB 0.330 39.294 39.000 -0.060 0.000 1.214 93 F HN 0.134 nan 8.300 nan 0.000 0.536 94 N N 3.471 121.989 118.700 -0.303 0.000 2.402 94 N HA 0.130 4.871 4.740 0.000 0.000 0.259 94 N C -1.963 173.364 175.510 -0.304 0.000 1.167 94 N CA -1.842 50.680 53.050 -0.880 0.000 0.949 94 N CB 0.749 38.737 38.487 -0.832 0.000 1.212 94 N HN 0.187 nan 8.380 nan 0.000 0.493 95 P HA -0.255 nan 4.420 nan 0.000 0.219 95 P C 1.150 178.439 177.300 -0.019 0.000 1.159 95 P CA 2.583 65.686 63.100 0.005 0.000 0.944 95 P CB -0.137 31.631 31.700 0.112 0.000 0.792 96 T N -3.778 110.746 114.554 -0.050 0.000 3.007 96 T HA -0.093 4.257 4.350 0.000 0.000 0.270 96 T C 1.179 175.849 174.700 -0.051 0.000 1.107 96 T CA 1.006 63.083 62.100 -0.039 0.000 1.118 96 T CB -0.536 68.308 68.868 -0.039 0.000 0.889 96 T HN 0.101 nan 8.240 nan 0.000 0.506 97 E N 1.359 121.512 120.200 -0.079 0.000 2.498 97 E HA 0.134 4.484 4.350 0.000 0.000 0.203 97 E C 1.016 177.582 176.600 -0.057 0.000 1.013 97 E CA 0.131 56.493 56.400 -0.063 0.000 0.927 97 E CB 0.304 29.960 29.700 -0.075 0.000 1.012 97 E HN 0.638 nan 8.360 nan 0.000 0.482 98 T N 0.344 114.855 114.554 -0.073 0.000 2.897 98 T HA 0.286 4.636 4.350 0.000 0.000 0.294 98 T C 0.042 174.674 174.700 -0.114 0.000 1.004 98 T CA -0.123 61.904 62.100 -0.121 0.000 1.106 98 T CB 1.086 69.836 68.868 -0.198 0.000 0.949 98 T HN -0.241 nan 8.240 nan 0.000 0.520 99 T N 5.371 119.846 114.554 -0.132 0.000 2.797 99 T HA 0.548 4.898 4.350 0.000 0.000 0.279 99 T C -0.184 174.448 174.700 -0.112 0.000 0.991 99 T CA -0.505 61.540 62.100 -0.091 0.000 0.979 99 T CB 0.511 69.347 68.868 -0.053 0.000 0.943 99 T HN 0.608 nan 8.240 nan 0.000 0.444 100 I N 2.283 122.815 120.570 -0.063 0.000 2.412 100 I HA 0.619 4.789 4.170 0.000 0.000 0.296 100 I C 0.715 176.851 176.117 0.031 0.000 0.987 100 I CA -0.636 60.653 61.300 -0.018 0.000 1.180 100 I CB 1.766 39.797 38.000 0.051 0.000 1.340 100 I HN 0.676 nan 8.210 nan 0.000 0.455 101 G N 6.467 115.330 108.800 0.104 0.000 2.482 101 G HA2 0.836 4.796 3.960 0.000 0.000 0.317 101 G HA3 0.836 4.796 3.960 0.000 0.000 0.317 101 G C -1.094 173.979 174.900 0.288 0.000 1.241 101 G CA -0.443 44.792 45.100 0.225 0.000 0.967 101 G HN 0.475 nan 8.290 nan 0.000 0.482 102 I N 0.391 121.125 120.570 0.273 0.000 2.722 102 I HA 0.548 4.718 4.170 0.000 0.000 0.295 102 I C -0.638 175.644 176.117 0.275 0.000 1.161 102 I CA -1.247 60.207 61.300 0.256 0.000 1.032 102 I CB 2.582 40.651 38.000 0.116 0.000 1.244 102 I HN 0.454 nan 8.210 nan 0.000 0.421 103 V N 0.883 120.923 119.914 0.209 0.000 2.851 103 V HA 0.773 4.893 4.120 0.000 0.000 0.307 103 V C -0.404 175.708 176.094 0.030 0.000 1.129 103 V CA -0.552 61.823 62.300 0.125 0.000 0.932 103 V CB 1.609 33.485 31.823 0.088 0.000 1.024 103 V HN 0.825 nan 8.190 nan 0.000 0.426 104 T N 0.567 115.119 114.554 -0.004 0.000 2.786 104 T HA 0.771 5.121 4.350 0.000 0.000 0.283 104 T C -0.216 174.457 174.700 -0.044 0.000 0.992 104 T CA -0.436 61.662 62.100 -0.004 0.000 0.954 104 T CB 0.666 69.545 68.868 0.018 0.000 0.934 104 T HN 1.044 nan 8.240 nan 0.000 0.440 105 C N 1.983 121.240 119.300 -0.072 0.000 2.771 105 C HA 1.056 5.516 4.460 0.000 0.000 0.333 105 C C 1.448 176.436 174.990 -0.003 0.000 1.267 105 C CA 0.327 59.292 59.018 -0.088 0.000 1.721 105 C CB 0.772 28.352 27.740 -0.267 0.000 2.222 105 C HN 1.574 nan 8.230 nan 0.000 0.485 106 G N 0.412 109.224 108.800 0.020 0.000 2.542 106 G HA2 0.302 4.262 3.960 0.000 0.000 0.235 106 G HA3 0.302 4.262 3.960 0.000 0.000 0.235 106 G C -0.038 174.894 174.900 0.053 0.000 1.286 106 G CA -0.139 44.988 45.100 0.044 0.000 0.904 106 G HN 1.600 nan 8.290 nan 0.000 0.577 107 G N -0.333 108.504 108.800 0.061 0.000 2.420 107 G HA2 0.706 4.666 3.960 0.000 0.000 0.284 107 G HA3 0.706 4.666 3.960 0.000 0.000 0.284 107 G C 0.649 175.597 174.900 0.081 0.000 1.177 107 G CA 0.046 45.188 45.100 0.070 0.000 0.841 107 G HN 1.609 nan 8.290 nan 0.000 0.527 108 I N -0.772 119.849 120.570 0.084 0.000 2.823 108 I HA 0.669 4.839 4.170 0.000 0.000 0.290 108 I C 0.319 176.509 176.117 0.121 0.000 1.091 108 I CA -0.879 60.482 61.300 0.100 0.000 1.365 108 I CB 0.907 38.958 38.000 0.084 0.000 1.427 108 I HN 0.633 nan 8.210 nan 0.000 0.583 109 C N 2.403 121.794 119.300 0.153 0.000 3.285 109 C HA 0.667 5.127 4.460 0.000 0.000 0.325 109 C C -2.952 172.166 174.990 0.213 0.000 1.304 109 C CA -1.686 57.432 59.018 0.167 0.000 1.319 109 C CB 1.160 28.988 27.740 0.146 0.000 1.640 109 C HN 0.702 nan 8.230 nan 0.000 0.477 110 P HA 0.374 nan 4.420 nan 0.000 0.265 110 P C 1.045 178.502 177.300 0.261 0.000 1.187 110 P CA 2.707 65.921 63.100 0.190 0.000 0.766 110 P CB 0.350 32.145 31.700 0.158 0.000 0.820 111 G N 1.452 110.334 108.800 0.136 0.000 2.213 111 G HA2 -0.287 3.673 3.960 0.000 0.000 0.236 111 G HA3 -0.287 3.673 3.960 0.000 0.000 0.236 111 G C 0.940 175.737 174.900 -0.171 0.000 0.991 111 G CA 0.178 45.277 45.100 -0.002 0.000 0.629 111 G HN 0.469 nan 8.290 nan 0.000 0.517 112 L N 0.443 121.659 121.223 -0.011 0.000 2.013 112 L HA -0.131 4.210 4.340 0.000 0.000 0.212 112 L C 2.748 179.560 176.870 -0.097 0.000 1.073 112 L CA 1.951 56.764 54.840 -0.045 0.000 0.753 112 L CB -0.506 41.593 42.059 0.068 0.000 0.890 112 L HN 0.281 nan 8.230 nan 0.000 0.432 113 N N 0.106 118.779 118.700 -0.045 0.000 2.223 113 N HA -0.173 4.567 4.740 0.000 0.000 0.185 113 N C 1.384 176.840 175.510 -0.089 0.000 1.016 113 N CA 1.533 54.559 53.050 -0.041 0.000 0.863 113 N CB -0.318 38.185 38.487 0.027 0.000 0.983 113 N HN 0.404 nan 8.380 nan 0.000 0.429 114 D N 0.032 120.360 120.400 -0.121 0.000 2.144 114 D HA -0.065 4.576 4.640 0.000 0.000 0.200 114 D C 2.042 178.194 176.300 -0.248 0.000 0.978 114 D CA 0.448 54.350 54.000 -0.164 0.000 0.833 114 D CB -0.008 40.698 40.800 -0.157 0.000 0.961 114 D HN -0.006 nan 8.370 nan 0.000 0.470 115 V N 0.648 120.370 119.914 -0.321 0.000 2.307 115 V HA -0.190 3.930 4.120 0.000 0.000 0.245 115 V C 2.305 178.237 176.094 -0.269 0.000 1.045 115 V CA 1.143 63.227 62.300 -0.359 0.000 1.024 115 V CB -0.366 31.188 31.823 -0.448 0.000 0.651 115 V HN 0.234 nan 8.190 nan 0.000 0.449 116 I N -0.242 120.208 120.570 -0.200 0.000 2.163 116 I HA -0.292 3.878 4.170 0.000 0.000 0.243 116 I C 2.752 178.766 176.117 -0.172 0.000 1.085 116 I CA 2.012 63.216 61.300 -0.160 0.000 1.347 116 I CB -0.447 37.486 38.000 -0.112 0.000 1.044 116 I HN 0.240 nan 8.210 nan 0.000 0.408 117 R N 0.550 120.952 120.500 -0.163 0.000 2.082 117 R HA -0.215 4.125 4.340 0.000 0.000 0.234 117 R C 2.563 178.743 176.300 -0.200 0.000 1.136 117 R CA 2.139 58.140 56.100 -0.164 0.000 0.935 117 R CB -0.402 29.803 30.300 -0.159 0.000 0.842 117 R HN 0.211 nan 8.270 nan 0.000 0.430 118 S N 0.049 115.610 115.700 -0.232 0.000 2.383 118 S HA -0.134 4.336 4.470 0.000 0.000 0.229 118 S C 1.968 176.407 174.600 -0.269 0.000 1.030 118 S CA 1.417 59.469 58.200 -0.247 0.000 1.002 118 S CB -0.248 62.795 63.200 -0.262 0.000 0.829 118 S HN 0.390 nan 8.310 nan 0.000 0.467 119 I N 0.737 121.120 120.570 -0.312 0.000 2.163 119 I HA -0.166 4.004 4.170 0.000 0.000 0.240 119 I C 2.625 178.592 176.117 -0.250 0.000 1.081 119 I CA 1.586 62.655 61.300 -0.384 0.000 1.353 119 I CB -0.878 36.825 38.000 -0.495 0.000 1.054 119 I HN 0.330 nan 8.210 nan 0.000 0.407 120 T N 1.586 116.026 114.554 -0.190 0.000 2.607 120 T HA -0.192 4.158 4.350 0.000 0.000 0.267 120 T C 1.930 176.565 174.700 -0.109 0.000 1.049 120 T CA 1.456 63.479 62.100 -0.129 0.000 1.162 120 T CB -0.450 68.344 68.868 -0.124 0.000 0.863 120 T HN 0.234 nan 8.240 nan 0.000 0.424 121 L N 0.626 121.773 121.223 -0.126 0.000 2.083 121 L HA -0.106 4.234 4.340 0.000 0.000 0.209 121 L C 2.862 179.671 176.870 -0.101 0.000 1.083 121 L CA 1.242 56.018 54.840 -0.107 0.000 0.752 121 L CB -1.154 40.831 42.059 -0.123 0.000 0.899 121 L HN 0.331 nan 8.230 nan 0.000 0.433 122 T N -0.405 114.072 114.554 -0.130 0.000 2.857 122 T HA -0.068 4.282 4.350 0.000 0.000 0.266 122 T C 1.843 176.532 174.700 -0.018 0.000 1.048 122 T CA 1.209 63.237 62.100 -0.120 0.000 1.139 122 T CB -0.314 68.429 68.868 -0.208 0.000 0.874 122 T HN 0.539 nan 8.240 nan 0.000 0.455 123 G N 1.159 109.952 108.800 -0.011 0.000 2.394 123 G HA2 -0.048 3.912 3.960 0.000 0.000 0.215 123 G HA3 -0.048 3.912 3.960 0.000 0.000 0.215 123 G C 1.498 176.438 174.900 0.067 0.000 1.165 123 G CA 0.220 45.367 45.100 0.079 0.000 0.784 123 G HN 0.468 nan 8.290 nan 0.000 0.535 124 I N 0.476 121.048 120.570 0.004 0.000 2.439 124 I HA -0.081 4.089 4.170 0.000 0.000 0.251 124 I C 2.256 178.366 176.117 -0.012 0.000 1.139 124 I CA 0.905 62.204 61.300 -0.001 0.000 1.438 124 I CB -0.112 37.879 38.000 -0.014 0.000 1.085 124 I HN 0.235 nan 8.210 nan 0.000 0.427 125 N N -0.570 118.110 118.700 -0.034 0.000 2.454 125 N HA 0.016 4.756 4.740 0.000 0.000 0.177 125 N C 1.507 176.962 175.510 -0.091 0.000 1.049 125 N CA 0.332 53.349 53.050 -0.055 0.000 0.887 125 N CB 0.823 39.272 38.487 -0.063 0.000 1.095 125 N HN 0.026 nan 8.380 nan 0.000 0.446 126 V N -0.212 119.622 119.914 -0.134 0.000 3.565 126 V HA 0.068 4.189 4.120 0.000 0.000 0.260 126 V C 0.342 176.115 176.094 -0.535 0.000 1.231 126 V CA 0.880 62.991 62.300 -0.315 0.000 1.100 126 V CB -0.166 31.433 31.823 -0.373 0.000 0.807 126 V HN 0.286 nan 8.190 nan 0.000 0.454 127 Y N -0.769 119.523 120.300 -0.014 0.000 2.425 127 Y HA 0.323 4.873 4.550 0.000 0.000 0.261 127 Y C 1.107 176.995 175.900 -0.019 0.000 1.084 127 Y CA -0.831 57.265 58.100 -0.005 0.000 1.248 127 Y CB 0.359 38.817 38.460 -0.003 0.000 1.270 127 Y HN 0.214 nan 8.280 nan 0.000 0.524 128 N N 0.173 118.922 118.700 0.082 0.000 2.735 128 N HA -0.145 4.595 4.740 0.000 0.000 0.248 128 N C -0.032 175.501 175.510 0.039 0.000 1.083 128 N CA 0.917 53.989 53.050 0.038 0.000 0.703 128 N CB -2.138 36.359 38.487 0.017 0.000 1.005 128 N HN 0.250 nan 8.380 nan 0.000 0.550 129 V N -1.773 118.174 119.914 0.055 0.000 3.083 129 V HA -0.090 4.030 4.120 0.000 0.000 0.303 129 V C 1.864 177.954 176.094 -0.006 0.000 1.151 129 V CA 0.682 62.990 62.300 0.014 0.000 1.275 129 V CB 0.774 32.595 31.823 -0.004 0.000 0.950 129 V HN 0.359 nan 8.190 nan 0.000 0.506 130 K N 2.543 122.929 120.400 -0.023 0.000 2.147 130 K HA -0.076 4.244 4.320 0.000 0.000 0.205 130 K C 0.849 177.437 176.600 -0.020 0.000 1.049 130 K CA 1.746 58.020 56.287 -0.022 0.000 0.936 130 K CB 0.107 32.590 32.500 -0.028 0.000 0.722 130 K HN 0.983 nan 8.250 nan 0.000 0.446 131 R N -2.520 117.965 120.500 -0.025 0.000 2.825 131 R HA 0.301 4.641 4.340 0.000 0.000 0.274 131 R C -1.842 174.437 176.300 -0.035 0.000 1.026 131 R CA -1.086 54.999 56.100 -0.025 0.000 0.867 131 R CB 1.095 31.379 30.300 -0.027 0.000 1.268 131 R HN -0.159 nan 8.270 nan 0.000 0.491 132 V N 2.320 122.210 119.914 -0.040 0.000 2.540 132 V HA 0.596 4.716 4.120 0.000 0.000 0.302 132 V C -0.241 175.792 176.094 -0.101 0.000 1.035 132 V CA -0.672 61.594 62.300 -0.055 0.000 0.873 132 V CB 1.742 33.535 31.823 -0.052 0.000 0.992 132 V HN 0.600 nan 8.190 nan 0.000 0.428 133 I N 2.914 123.394 120.570 -0.150 0.000 2.509 133 I HA 0.683 4.854 4.170 0.000 0.000 0.293 133 I C 0.442 176.312 176.117 -0.412 0.000 1.020 133 I CA -0.486 60.626 61.300 -0.314 0.000 1.088 133 I CB 2.268 40.008 38.000 -0.433 0.000 1.267 133 I HN 0.756 nan 8.210 nan 0.000 0.430 134 G N 5.672 114.216 108.800 -0.426 0.000 2.502 134 G HA2 0.623 4.583 3.960 0.000 0.000 0.311 134 G HA3 0.623 4.583 3.960 0.000 0.000 0.311 134 G C -1.011 173.663 174.900 -0.377 0.000 1.270 134 G CA -0.264 44.647 45.100 -0.316 0.000 0.948 134 G HN 0.282 nan 8.290 nan 0.000 0.487 135 F N 2.022 121.966 119.950 -0.009 0.000 2.384 135 F HA 0.477 5.004 4.527 0.000 0.000 0.338 135 F C 1.076 176.868 175.800 -0.012 0.000 1.103 135 F CA -0.721 57.285 58.000 0.011 0.000 1.157 135 F CB 1.201 40.225 39.000 0.041 0.000 1.167 135 F HN 0.092 nan 8.300 nan 0.000 0.529 136 R N 2.190 122.800 120.500 0.183 0.000 2.457 136 R HA 0.314 4.655 4.340 0.000 0.000 0.284 136 R C -0.620 175.786 176.300 0.177 0.000 1.024 136 R CA -0.926 55.139 56.100 -0.058 0.000 1.025 136 R CB 0.150 30.364 30.300 -0.144 0.000 1.063 136 R HN 0.691 nan 8.270 nan 0.000 0.493 137 F N 0.401 120.469 119.950 0.197 0.000 2.969 137 F HA -0.261 4.266 4.527 0.000 0.000 0.273 137 F C 1.318 177.229 175.800 0.185 0.000 0.986 137 F CA 1.290 59.367 58.000 0.128 0.000 0.926 137 F CB -2.177 36.815 39.000 -0.014 0.000 0.887 137 F HN 1.048 nan 8.300 nan 0.000 0.816 138 G N -0.695 108.213 108.800 0.181 0.000 2.569 138 G HA2 -0.373 3.587 3.960 0.000 0.000 0.259 138 G HA3 -0.373 3.587 3.960 0.000 0.000 0.259 138 G C 0.376 175.354 174.900 0.131 0.000 1.263 138 G CA 0.223 45.356 45.100 0.056 0.000 0.928 138 G HN 0.358 nan 8.290 nan 0.000 0.572 139 Y N -0.371 120.037 120.300 0.179 0.000 2.483 139 Y HA 0.071 4.621 4.550 0.000 0.000 0.291 139 Y C 2.496 178.481 175.900 0.141 0.000 1.143 139 Y CA 1.478 59.641 58.100 0.105 0.000 1.289 139 Y CB -0.560 37.940 38.460 0.066 0.000 0.983 139 Y HN 0.599 nan 8.280 nan 0.000 0.556 140 W N 0.872 122.296 121.300 0.206 0.000 2.321 140 W HA -0.164 4.496 4.660 0.000 0.000 0.306 140 W C 2.363 178.982 176.519 0.166 0.000 1.217 140 W CA 2.184 59.628 57.345 0.165 0.000 1.257 140 W CB -0.734 28.828 29.460 0.170 0.000 1.145 140 W HN 0.027 nan 8.180 nan 0.000 0.509 141 G N 0.314 109.334 108.800 0.366 0.000 2.653 141 G HA2 -0.148 3.812 3.960 0.000 0.000 0.212 141 G HA3 -0.148 3.812 3.960 0.000 0.000 0.212 141 G C 1.276 176.193 174.900 0.028 0.000 1.138 141 G CA 0.835 46.042 45.100 0.177 0.000 0.782 141 G HN 0.386 nan 8.290 nan 0.000 0.535 142 L N 0.632 121.806 121.223 -0.082 0.000 2.556 142 L HA 0.172 4.512 4.340 0.000 0.000 0.226 142 L C 1.608 178.359 176.870 -0.198 0.000 1.089 142 L CA 0.048 54.745 54.840 -0.237 0.000 0.864 142 L CB 0.124 42.025 42.059 -0.264 0.000 1.067 142 L HN 0.268 nan 8.230 nan 0.000 0.477 143 S N 0.170 115.745 115.700 -0.209 0.000 2.603 143 S HA 0.068 4.538 4.470 0.000 0.000 0.268 143 S C 0.134 174.601 174.600 -0.223 0.000 1.317 143 S CA -0.606 57.473 58.200 -0.202 0.000 1.012 143 S CB 1.004 64.082 63.200 -0.204 0.000 0.926 143 S HN 0.117 nan 8.310 nan 0.000 0.539 144 K N 1.588 121.897 120.400 -0.151 0.000 2.419 144 K HA 0.043 4.363 4.320 0.000 0.000 0.282 144 K C 0.431 176.934 176.600 -0.162 0.000 1.056 144 K CA 0.514 56.728 56.287 -0.122 0.000 1.035 144 K CB -0.064 32.390 32.500 -0.077 0.000 0.921 144 K HN 0.977 nan 8.250 nan 0.000 0.472 145 K N 1.880 122.170 120.400 -0.182 0.000 6.442 145 K HA -0.137 4.183 4.320 0.000 0.000 0.383 145 K C 1.360 177.741 176.600 -0.365 0.000 1.014 145 K CA 0.711 56.878 56.287 -0.200 0.000 1.666 145 K CB -1.608 30.773 32.500 -0.199 0.000 0.473 145 K HN 0.634 nan 8.250 nan 0.000 0.544 146 G N 1.238 109.550 108.800 -0.813 0.000 2.432 146 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 146 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 146 G C 1.301 175.945 174.900 -0.427 0.000 1.135 146 G CA 1.831 46.158 45.100 -1.288 0.000 0.767 146 G HN 0.645 nan 8.290 nan 0.000 0.550 147 S N 0.448 116.003 115.700 -0.241 0.000 2.441 147 S HA -0.293 4.177 4.470 0.000 0.000 0.242 147 S C 2.114 176.728 174.600 0.023 0.000 1.018 147 S CA 1.785 59.976 58.200 -0.015 0.000 0.988 147 S CB -0.429 62.761 63.200 -0.017 0.000 0.778 147 S HN 0.638 nan 8.310 nan 0.000 0.498 148 Q N 1.936 121.720 119.800 -0.027 0.000 2.084 148 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 148 Q C 2.094 178.134 176.000 0.066 0.000 0.978 148 Q CA 2.190 58.006 55.803 0.022 0.000 0.844 148 Q CB -0.870 27.883 28.738 0.024 0.000 0.898 148 Q HN 0.839 nan 8.270 nan 0.000 0.426 149 T N -1.226 113.397 114.554 0.114 0.000 2.995 149 T HA 0.243 4.593 4.350 0.000 0.000 0.269 149 T C 0.920 175.676 174.700 0.092 0.000 1.091 149 T CA 0.386 62.588 62.100 0.170 0.000 1.128 149 T CB -0.424 68.664 68.868 0.366 0.000 0.891 149 T HN 0.463 nan 8.240 nan 0.000 0.492 150 A N 2.355 125.215 122.820 0.066 0.000 2.616 150 A HA 0.413 4.733 4.320 0.000 0.000 0.234 150 A C 0.537 178.060 177.584 -0.103 0.000 1.024 150 A CA -0.019 51.976 52.037 -0.069 0.000 0.758 150 A CB -0.719 18.210 19.000 -0.119 0.000 0.939 150 A HN 0.866 nan 8.150 nan 0.000 0.510 151 I N -1.412 119.060 120.570 -0.163 0.000 2.740 151 I HA 0.753 4.923 4.170 0.000 0.000 0.303 151 I C -0.463 175.569 176.117 -0.142 0.000 1.044 151 I CA -1.136 60.095 61.300 -0.114 0.000 1.064 151 I CB 2.038 39.987 38.000 -0.086 0.000 1.249 151 I HN 0.415 nan 8.210 nan 0.000 0.433 152 E N 3.996 124.152 120.200 -0.073 0.000 2.223 152 E HA 0.469 4.819 4.350 0.000 0.000 0.282 152 E C -1.098 175.476 176.600 -0.043 0.000 1.046 152 E CA -0.128 56.244 56.400 -0.048 0.000 0.857 152 E CB 1.190 30.900 29.700 0.017 0.000 1.055 152 E HN 0.484 nan 8.360 nan 0.000 0.409 153 L N 5.364 126.532 121.223 -0.091 0.000 2.257 153 L HA 0.382 4.722 4.340 0.000 0.000 0.290 153 L C -0.182 176.629 176.870 -0.098 0.000 1.044 153 L CA -0.647 54.099 54.840 -0.158 0.000 0.810 153 L CB 0.279 42.247 42.059 -0.151 0.000 1.193 153 L HN 0.675 nan 8.230 nan 0.000 0.425 154 H N 0.461 119.500 119.070 -0.051 0.000 2.797 154 H HA 0.553 5.110 4.556 0.000 0.000 0.362 154 H C 0.599 175.904 175.328 -0.038 0.000 1.183 154 H CA -1.135 54.888 56.048 -0.042 0.000 1.197 154 H CB 0.863 30.604 29.762 -0.035 0.000 1.835 154 H HN 0.217 nan 8.280 nan 0.000 0.567 155 R N 0.407 120.979 120.500 0.120 0.000 2.143 155 R HA -0.191 4.149 4.340 0.000 0.000 0.239 155 R C 2.261 178.595 176.300 0.056 0.000 1.126 155 R CA 2.155 58.288 56.100 0.055 0.000 0.927 155 R CB -1.168 29.168 30.300 0.061 0.000 0.860 155 R HN 0.923 nan 8.270 nan 0.000 0.433 156 G N 0.926 109.861 108.800 0.224 0.000 2.475 156 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 156 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 156 G C 1.577 176.495 174.900 0.030 0.000 1.125 156 G CA 1.050 46.255 45.100 0.174 0.000 0.755 156 G HN 0.214 nan 8.290 nan 0.000 0.565 157 R N -0.454 119.868 120.500 -0.297 0.000 2.236 157 R HA 0.193 4.533 4.340 0.000 0.000 0.208 157 R C 1.818 178.005 176.300 -0.187 0.000 1.036 157 R CA 0.899 56.791 56.100 -0.347 0.000 1.001 157 R CB -0.297 29.552 30.300 -0.752 0.000 0.896 157 R HN 0.229 nan 8.270 nan 0.000 0.464 158 V N -0.992 118.834 119.914 -0.148 0.000 3.502 158 V HA 0.046 4.166 4.120 0.000 0.000 0.288 158 V C 1.437 177.522 176.094 -0.014 0.000 1.461 158 V CA 0.892 63.144 62.300 -0.081 0.000 1.029 158 V CB 0.650 32.401 31.823 -0.119 0.000 0.843 158 V HN 0.442 nan 8.190 nan 0.000 0.438 159 T N 0.931 115.488 114.554 0.004 0.000 2.822 159 T HA -0.144 4.206 4.350 0.000 0.000 0.270 159 T C 1.271 176.063 174.700 0.153 0.000 1.064 159 T CA 2.160 64.287 62.100 0.044 0.000 1.131 159 T CB -0.215 68.683 68.868 0.050 0.000 0.858 159 T HN 0.536 nan 8.240 nan 0.000 0.483 160 N N 0.213 119.007 118.700 0.156 0.000 2.194 160 N HA 0.224 4.964 4.740 0.000 0.000 0.231 160 N C 1.388 176.920 175.510 0.037 0.000 1.247 160 N CA 0.060 53.182 53.050 0.120 0.000 0.884 160 N CB 0.349 38.940 38.487 0.174 0.000 1.146 160 N HN 0.637 nan 8.380 nan 0.000 0.516 161 I N -0.813 119.847 120.570 0.150 0.000 3.001 161 I HA -0.104 4.066 4.170 0.000 0.000 0.268 161 I C 1.517 177.659 176.117 0.041 0.000 1.267 161 I CA 0.960 62.381 61.300 0.202 0.000 1.472 161 I CB -0.575 37.500 38.000 0.126 0.000 1.089 161 I HN 0.049 nan 8.210 nan 0.000 0.468 162 H N -1.412 117.504 119.070 -0.257 0.000 2.563 162 H HA 0.096 4.652 4.556 0.000 0.000 0.272 162 H C 1.117 176.195 175.328 -0.416 0.000 1.005 162 H CA 0.477 56.332 56.048 -0.321 0.000 1.171 162 H CB -0.629 28.924 29.762 -0.349 0.000 1.351 162 H HN 0.442 nan 8.280 nan 0.000 0.602 163 H N -0.301 118.383 119.070 -0.644 0.000 2.549 163 H HA 0.147 4.704 4.556 0.000 0.000 0.279 163 H C -0.641 174.180 175.328 -0.845 0.000 1.018 163 H CA -0.128 55.457 56.048 -0.772 0.000 1.175 163 H CB 0.085 29.279 29.762 -0.947 0.000 1.485 163 H HN 0.399 nan 8.280 nan 0.000 0.543 164 Y N -0.323 119.982 120.300 0.009 0.000 2.524 164 Y HA 0.546 5.097 4.550 0.000 0.000 0.344 164 Y C 1.110 177.019 175.900 0.016 0.000 1.012 164 Y CA -1.261 56.848 58.100 0.015 0.000 1.068 164 Y CB 1.101 39.563 38.460 0.003 0.000 1.249 164 Y HN -0.011 nan 8.280 nan 0.000 0.468 165 G N -0.181 108.732 108.800 0.188 0.000 2.557 165 G HA2 0.493 4.453 3.960 0.000 0.000 0.292 165 G HA3 0.493 4.453 3.960 0.000 0.000 0.292 165 G C 0.364 175.332 174.900 0.114 0.000 1.237 165 G CA 0.046 45.220 45.100 0.123 0.000 0.978 165 G HN 1.181 nan 8.290 nan 0.000 0.498 166 G N -1.442 107.413 108.800 0.092 0.000 2.598 166 G HA2 0.200 4.160 3.960 0.000 0.000 0.244 166 G HA3 0.200 4.160 3.960 0.000 0.000 0.244 166 G C 0.234 175.169 174.900 0.058 0.000 1.302 166 G CA 0.797 45.939 45.100 0.070 0.000 0.903 166 G HN 1.920 nan 8.290 nan 0.000 0.575 167 T N -0.935 113.636 114.554 0.030 0.000 2.886 167 T HA 0.591 4.941 4.350 0.000 0.000 0.292 167 T C 1.755 176.433 174.700 -0.037 0.000 1.012 167 T CA 0.273 62.373 62.100 -0.000 0.000 0.982 167 T CB 1.105 69.969 68.868 -0.008 0.000 1.018 167 T HN 1.557 nan 8.240 nan 0.000 0.451 168 I N 2.501 123.041 120.570 -0.051 0.000 2.439 168 I HA 0.079 4.249 4.170 0.000 0.000 0.251 168 I C 1.498 177.529 176.117 -0.143 0.000 1.139 168 I CA 0.884 62.134 61.300 -0.084 0.000 1.438 168 I CB -0.339 37.616 38.000 -0.075 0.000 1.085 168 I HN 0.422 nan 8.210 nan 0.000 0.427 169 L N 1.697 122.829 121.223 -0.153 0.000 2.201 169 L HA 0.254 4.594 4.340 0.000 0.000 0.212 169 L C 1.294 177.910 176.870 -0.423 0.000 1.105 169 L CA 1.272 55.977 54.840 -0.225 0.000 0.775 169 L CB -1.718 40.258 42.059 -0.138 0.000 0.913 169 L HN 0.695 nan 8.230 nan 0.000 0.440 170 G N -1.505 107.109 108.800 -0.310 0.000 2.699 170 G HA2 0.033 3.993 3.960 0.000 0.000 0.686 170 G HA3 0.033 3.993 3.960 0.000 0.000 0.686 170 G C -0.486 174.343 174.900 -0.118 0.000 1.301 170 G CA -0.214 44.681 45.100 -0.341 0.000 0.816 170 G HN 0.400 nan 8.290 nan 0.000 0.595 171 S N -1.131 114.633 115.700 0.107 0.000 2.671 171 S HA 1.018 5.489 4.470 0.000 0.000 0.277 171 S C -0.202 174.505 174.600 0.179 0.000 1.165 171 S CA 1.079 59.346 58.200 0.112 0.000 0.822 171 S CB 1.639 64.877 63.200 0.064 0.000 1.150 171 S HN 2.666 nan 8.310 nan 0.000 0.479 172 S N 1.003 116.773 115.700 0.117 0.000 2.586 172 S HA 0.577 5.047 4.470 0.000 0.000 0.277 172 S C -1.683 172.965 174.600 0.081 0.000 1.131 172 S CA -1.051 57.206 58.200 0.095 0.000 0.848 172 S CB 1.006 64.279 63.200 0.121 0.000 1.091 172 S HN 0.823 nan 8.310 nan 0.000 0.453 173 R N 0.517 121.058 120.500 0.069 0.000 2.474 173 R HA 0.814 5.154 4.340 0.000 0.000 0.295 173 R C 0.319 176.679 176.300 0.100 0.000 0.980 173 R CA 0.133 56.279 56.100 0.076 0.000 0.934 173 R CB 1.425 31.759 30.300 0.056 0.000 1.101 173 R HN 1.572 nan 8.270 nan 0.000 0.469 174 G N 2.918 111.793 108.800 0.125 0.000 2.640 174 G HA2 -0.093 3.868 3.960 0.000 0.000 0.686 174 G HA3 -0.093 3.868 3.960 0.000 0.000 0.686 174 G C -2.882 172.137 174.900 0.198 0.000 1.229 174 G CA -1.153 44.027 45.100 0.134 0.000 0.796 174 G HN 0.476 nan 8.290 nan 0.000 0.654 175 P HA 0.640 nan 4.420 nan 0.000 0.280 175 P C -0.835 176.520 177.300 0.093 0.000 1.272 175 P CA -0.334 62.843 63.100 0.127 0.000 0.819 175 P CB 1.612 33.337 31.700 0.041 0.000 1.122 176 Q N -0.621 119.191 119.800 0.019 0.000 2.633 176 Q HA 0.264 4.604 4.340 0.000 0.000 0.292 176 Q C -0.672 175.292 176.000 -0.061 0.000 1.089 176 Q CA -0.568 55.240 55.803 0.008 0.000 0.811 176 Q CB 1.007 29.761 28.738 0.026 0.000 1.472 176 Q HN 0.507 nan 8.270 nan 0.000 0.464 177 D N 2.479 122.846 120.400 -0.055 0.000 2.343 177 D HA 0.066 4.706 4.640 0.000 0.000 0.255 177 D C -1.470 174.769 176.300 -0.102 0.000 1.187 177 D CA -1.438 52.521 54.000 -0.068 0.000 0.875 177 D CB 1.197 41.967 40.800 -0.049 0.000 1.136 177 D HN 0.119 nan 8.370 nan 0.000 0.469 178 P HA -0.167 nan 4.420 nan 0.000 0.219 178 P C 1.098 178.335 177.300 -0.105 0.000 1.146 178 P CA 0.792 63.811 63.100 -0.136 0.000 0.808 178 P CB 0.553 32.178 31.700 -0.125 0.000 0.779 179 K N 1.017 121.369 120.400 -0.080 0.000 2.001 179 K HA -0.120 4.200 4.320 0.000 0.000 0.208 179 K C 2.209 178.767 176.600 -0.069 0.000 1.048 179 K CA 1.548 57.796 56.287 -0.064 0.000 0.932 179 K CB -0.723 31.747 32.500 -0.050 0.000 0.715 179 K HN 0.123 nan 8.250 nan 0.000 0.437 180 E N -0.287 119.868 120.200 -0.074 0.000 2.077 180 E HA -0.195 4.155 4.350 0.000 0.000 0.193 180 E C 2.078 178.617 176.600 -0.102 0.000 0.989 180 E CA 1.493 57.845 56.400 -0.080 0.000 0.800 180 E CB -0.154 29.496 29.700 -0.082 0.000 0.746 180 E HN 0.330 nan 8.360 nan 0.000 0.452 181 M N 0.421 119.946 119.600 -0.125 0.000 2.117 181 M HA -0.143 4.337 4.480 0.000 0.000 0.262 181 M C 2.443 178.654 176.300 -0.150 0.000 1.065 181 M CA 1.128 56.330 55.300 -0.163 0.000 1.114 181 M CB -0.203 32.282 32.600 -0.191 0.000 1.361 181 M HN 0.004 nan 8.290 nan 0.000 0.408 182 V N 0.235 120.080 119.914 -0.114 0.000 2.515 182 V HA -0.224 3.896 4.120 0.000 0.000 0.250 182 V C 1.728 177.784 176.094 -0.063 0.000 1.058 182 V CA 1.540 63.789 62.300 -0.085 0.000 1.064 182 V CB -0.786 30.997 31.823 -0.067 0.000 0.675 182 V HN 0.380 nan 8.190 nan 0.000 0.461 183 D N 0.284 120.648 120.400 -0.061 0.000 2.117 183 D HA -0.140 4.500 4.640 0.000 0.000 0.197 183 D C 2.295 178.574 176.300 -0.036 0.000 0.987 183 D CA 1.941 55.916 54.000 -0.042 0.000 0.829 183 D CB -0.314 40.461 40.800 -0.043 0.000 0.961 183 D HN 0.396 nan 8.370 nan 0.000 0.460 184 T N 1.349 115.869 114.554 -0.058 0.000 2.708 184 T HA -0.086 4.264 4.350 0.000 0.000 0.266 184 T C 2.288 176.984 174.700 -0.006 0.000 1.037 184 T CA 0.651 62.728 62.100 -0.040 0.000 1.146 184 T CB -0.340 68.465 68.868 -0.106 0.000 0.865 184 T HN 0.113 nan 8.240 nan 0.000 0.435 185 L N 0.565 121.755 121.223 -0.055 0.000 2.046 185 L HA -0.113 4.227 4.340 0.000 0.000 0.208 185 L C 2.779 179.662 176.870 0.021 0.000 1.077 185 L CA 1.500 56.335 54.840 -0.009 0.000 0.747 185 L CB -0.530 41.496 42.059 -0.054 0.000 0.896 185 L HN 0.301 nan 8.230 nan 0.000 0.432 186 E N 0.096 120.297 120.200 0.002 0.000 2.077 186 E HA -0.222 4.128 4.350 0.000 0.000 0.193 186 E C 2.401 179.011 176.600 0.018 0.000 0.989 186 E CA 1.075 57.481 56.400 0.009 0.000 0.800 186 E CB 0.120 29.820 29.700 -0.001 0.000 0.746 186 E HN 0.308 nan 8.360 nan 0.000 0.452 187 R N -0.153 120.357 120.500 0.018 0.000 2.081 187 R HA -0.065 4.275 4.340 0.000 0.000 0.235 187 R C 2.216 178.536 176.300 0.034 0.000 1.131 187 R CA 1.044 57.157 56.100 0.022 0.000 0.960 187 R CB -0.106 30.206 30.300 0.020 0.000 0.856 187 R HN 0.207 nan 8.270 nan 0.000 0.436 188 L N -0.309 120.949 121.223 0.059 0.000 2.599 188 L HA 0.179 4.519 4.340 0.000 0.000 0.230 188 L C 0.833 177.732 176.870 0.049 0.000 1.141 188 L CA 0.246 55.126 54.840 0.067 0.000 0.877 188 L CB 0.104 42.243 42.059 0.134 0.000 1.009 188 L HN 0.426 nan 8.230 nan 0.000 0.447 189 G N 1.012 109.835 108.800 0.040 0.000 2.314 189 G HA2 -0.237 3.723 3.960 0.000 0.000 0.292 189 G HA3 -0.237 3.723 3.960 0.000 0.000 0.292 189 G C 0.043 174.951 174.900 0.015 0.000 1.059 189 G CA 0.045 45.160 45.100 0.025 0.000 0.982 189 G HN 0.110 nan 8.290 nan 0.000 0.505 190 V N 0.656 120.588 119.914 0.029 0.000 2.530 190 V HA 0.199 4.319 4.120 0.000 0.000 0.282 190 V C 1.319 177.380 176.094 -0.055 0.000 1.048 190 V CA -0.100 62.203 62.300 0.004 0.000 0.997 190 V CB 1.422 33.287 31.823 0.070 0.000 0.987 190 V HN 0.471 nan 8.190 nan 0.000 0.477 191 N N 3.711 122.308 118.700 -0.172 0.000 2.415 191 N HA 0.262 5.003 4.740 0.000 0.000 0.174 191 N C 0.076 175.309 175.510 -0.462 0.000 1.048 191 N CA 0.663 53.519 53.050 -0.323 0.000 0.895 191 N CB 0.978 39.076 38.487 -0.648 0.000 1.036 191 N HN 0.528 nan 8.380 nan 0.000 0.449 192 I N 1.544 121.863 120.570 -0.418 0.000 2.534 192 I HA 0.305 4.475 4.170 0.000 0.000 0.288 192 I C -1.069 174.843 176.117 -0.342 0.000 1.077 192 I CA -0.499 60.535 61.300 -0.443 0.000 1.051 192 I CB 3.078 40.709 38.000 -0.615 0.000 1.234 192 I HN -0.174 nan 8.210 nan 0.000 0.425 193 L N 6.307 127.344 121.223 -0.311 0.000 2.319 193 L HA 0.555 4.895 4.340 0.000 0.000 0.281 193 L C -1.521 175.228 176.870 -0.201 0.000 1.005 193 L CA -0.481 54.278 54.840 -0.135 0.000 0.828 193 L CB 1.475 43.520 42.059 -0.023 0.000 1.227 193 L HN 0.434 nan 8.230 nan 0.000 0.415 194 F N 2.163 122.181 119.950 0.114 0.000 2.405 194 F HA 0.320 4.847 4.527 0.000 0.000 0.355 194 F C 0.772 176.650 175.800 0.130 0.000 1.121 194 F CA -0.473 57.605 58.000 0.130 0.000 1.112 194 F CB 1.834 40.868 39.000 0.056 0.000 1.126 194 F HN 0.383 nan 8.300 nan 0.000 0.481 195 T N 0.951 115.692 114.554 0.310 0.000 2.770 195 T HA 0.583 4.933 4.350 0.000 0.000 0.297 195 T C -0.539 174.280 174.700 0.198 0.000 0.997 195 T CA -0.784 61.442 62.100 0.210 0.000 0.949 195 T CB 0.653 69.650 68.868 0.214 0.000 0.941 195 T HN 0.223 nan 8.240 nan 0.000 0.457 196 V N 3.584 123.585 119.914 0.145 0.000 2.318 196 V HA 0.826 4.946 4.120 0.000 0.000 0.271 196 V C 0.843 177.006 176.094 0.115 0.000 1.030 196 V CA -0.008 62.389 62.300 0.163 0.000 0.844 196 V CB 0.284 32.195 31.823 0.147 0.000 1.015 196 V HN 1.318 nan 8.190 nan 0.000 0.460 197 G N 3.036 111.908 108.800 0.121 0.000 2.340 197 G HA2 0.573 4.533 3.960 0.000 0.000 0.299 197 G HA3 0.573 4.533 3.960 0.000 0.000 0.299 197 G C -0.204 174.735 174.900 0.065 0.000 1.291 197 G CA -0.083 45.062 45.100 0.075 0.000 0.841 197 G HN 0.871 nan 8.290 nan 0.000 0.500 198 G N -0.983 107.849 108.800 0.053 0.000 2.570 198 G HA2 0.413 4.373 3.960 0.000 0.000 0.276 198 G HA3 0.413 4.373 3.960 0.000 0.000 0.276 198 G C 0.928 175.867 174.900 0.064 0.000 1.346 198 G CA 0.869 45.999 45.100 0.049 0.000 1.034 198 G HN 0.836 nan 8.290 nan 0.000 0.512 199 D N -1.175 119.262 120.400 0.061 0.000 2.310 199 D HA -0.045 4.595 4.640 0.000 0.000 0.212 199 D C 2.039 178.382 176.300 0.073 0.000 0.965 199 D CA 1.203 55.242 54.000 0.065 0.000 0.879 199 D CB -0.726 40.113 40.800 0.064 0.000 0.921 199 D HN 0.420 nan 8.370 nan 0.000 0.510 200 G N 0.660 109.507 108.800 0.078 0.000 2.394 200 G HA2 -0.247 3.713 3.960 0.000 0.000 0.214 200 G HA3 -0.247 3.713 3.960 0.000 0.000 0.214 200 G C 1.722 176.705 174.900 0.140 0.000 1.176 200 G CA 1.592 46.747 45.100 0.091 0.000 0.786 200 G HN 0.494 nan 8.290 nan 0.000 0.533 201 T N -1.297 113.350 114.554 0.156 0.000 2.915 201 T HA -0.056 4.295 4.350 0.000 0.000 0.269 201 T C 2.220 177.073 174.700 0.255 0.000 1.071 201 T CA 1.550 63.803 62.100 0.256 0.000 1.132 201 T CB -0.144 68.777 68.868 0.088 0.000 0.878 201 T HN 0.160 nan 8.240 nan 0.000 0.479 202 Q N 0.992 120.881 119.800 0.147 0.000 2.137 202 Q HA 0.171 4.511 4.340 0.000 0.000 0.198 202 Q C 2.571 178.616 176.000 0.075 0.000 0.960 202 Q CA 0.961 56.828 55.803 0.107 0.000 0.847 202 Q CB -0.370 28.407 28.738 0.066 0.000 0.915 202 Q HN 0.618 nan 8.270 nan 0.000 0.448 203 R N -0.206 120.335 120.500 0.068 0.000 2.096 203 R HA -0.091 4.249 4.340 0.000 0.000 0.235 203 R C 2.254 178.564 176.300 0.015 0.000 1.127 203 R CA 1.308 57.429 56.100 0.035 0.000 0.968 203 R CB -0.503 29.820 30.300 0.037 0.000 0.861 203 R HN 0.316 nan 8.270 nan 0.000 0.440 204 G N 0.302 109.125 108.800 0.039 0.000 2.448 204 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 204 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 204 G C 1.480 176.310 174.900 -0.116 0.000 1.135 204 G CA 0.625 45.677 45.100 -0.080 0.000 0.784 204 G HN 0.390 nan 8.290 nan 0.000 0.543 205 A N 0.543 123.384 122.820 0.034 0.000 1.930 205 A HA 0.151 4.471 4.320 0.000 0.000 0.217 205 A C 2.363 179.935 177.584 -0.021 0.000 1.175 205 A CA 0.921 52.984 52.037 0.043 0.000 0.627 205 A CB -0.352 18.712 19.000 0.108 0.000 0.815 205 A HN 0.345 nan 8.150 nan 0.000 0.443 206 L N -0.391 120.817 121.223 -0.024 0.000 2.046 206 L HA -0.157 4.183 4.340 0.000 0.000 0.208 206 L C 2.495 179.333 176.870 -0.053 0.000 1.077 206 L CA 1.188 56.005 54.840 -0.039 0.000 0.747 206 L CB -0.375 41.663 42.059 -0.034 0.000 0.896 206 L HN 0.267 nan 8.230 nan 0.000 0.432 207 V N -0.022 119.852 119.914 -0.067 0.000 2.594 207 V HA -0.290 3.830 4.120 0.000 0.000 0.253 207 V C 2.196 178.233 176.094 -0.097 0.000 1.069 207 V CA 1.560 63.811 62.300 -0.081 0.000 1.082 207 V CB -0.261 31.504 31.823 -0.097 0.000 0.680 207 V HN 0.355 nan 8.190 nan 0.000 0.469 208 I N -0.521 119.980 120.570 -0.115 0.000 2.406 208 I HA -0.152 4.019 4.170 0.000 0.000 0.249 208 I C 2.633 178.707 176.117 -0.072 0.000 1.122 208 I CA 1.407 62.638 61.300 -0.115 0.000 1.431 208 I CB -0.286 37.632 38.000 -0.136 0.000 1.087 208 I HN 0.305 nan 8.210 nan 0.000 0.424 209 S N 0.268 115.934 115.700 -0.056 0.000 2.383 209 S HA -0.269 4.201 4.470 0.000 0.000 0.227 209 S C 2.026 176.603 174.600 -0.038 0.000 1.026 209 S CA 1.662 59.838 58.200 -0.039 0.000 0.981 209 S CB -0.152 63.026 63.200 -0.037 0.000 0.818 209 S HN 0.439 nan 8.310 nan 0.000 0.472 210 Q N 0.167 119.940 119.800 -0.044 0.000 2.079 210 Q HA -0.145 4.196 4.340 0.000 0.000 0.200 210 Q C 2.064 178.042 176.000 -0.037 0.000 0.974 210 Q CA 1.778 57.557 55.803 -0.039 0.000 0.840 210 Q CB -0.261 28.452 28.738 -0.041 0.000 0.898 210 Q HN 0.563 nan 8.270 nan 0.000 0.430 211 E N 0.293 120.466 120.200 -0.046 0.000 2.077 211 E HA -0.160 4.190 4.350 0.000 0.000 0.193 211 E C 1.642 178.221 176.600 -0.034 0.000 0.989 211 E CA 1.584 57.958 56.400 -0.043 0.000 0.800 211 E CB -0.352 29.314 29.700 -0.057 0.000 0.746 211 E HN 0.441 nan 8.360 nan 0.000 0.452 212 A N 0.806 123.606 122.820 -0.033 0.000 1.902 212 A HA -0.190 4.130 4.320 0.000 0.000 0.217 212 A C 2.113 179.691 177.584 -0.009 0.000 1.181 212 A CA 1.820 53.846 52.037 -0.019 0.000 0.623 212 A CB -0.459 18.532 19.000 -0.015 0.000 0.818 212 A HN 0.223 nan 8.150 nan 0.000 0.443 213 K N -0.945 119.448 120.400 -0.013 0.000 2.147 213 K HA -0.120 4.200 4.320 0.000 0.000 0.205 213 K C 2.271 178.864 176.600 -0.011 0.000 1.049 213 K CA 1.327 57.608 56.287 -0.010 0.000 0.936 213 K CB -0.122 32.367 32.500 -0.018 0.000 0.722 213 K HN 0.445 nan 8.250 nan 0.000 0.446 214 R N 1.205 121.696 120.500 -0.016 0.000 2.148 214 R HA -0.068 4.272 4.340 0.000 0.000 0.227 214 R C 1.628 177.921 176.300 -0.011 0.000 1.103 214 R CA 1.251 57.342 56.100 -0.016 0.000 0.983 214 R CB 0.165 30.452 30.300 -0.021 0.000 0.874 214 R HN 0.067 nan 8.270 nan 0.000 0.451 215 R N -1.291 119.203 120.500 -0.009 0.000 2.317 215 R HA 0.175 4.515 4.340 0.000 0.000 0.208 215 R C 0.768 177.070 176.300 0.002 0.000 0.914 215 R CA 0.549 56.646 56.100 -0.005 0.000 1.060 215 R CB 0.763 31.059 30.300 -0.007 0.000 1.015 215 R HN 0.408 nan 8.270 nan 0.000 0.498 216 G N 1.204 110.007 108.800 0.005 0.000 2.143 216 G HA2 -0.250 3.710 3.960 0.000 0.000 0.248 216 G HA3 -0.250 3.710 3.960 0.000 0.000 0.248 216 G C 0.143 175.058 174.900 0.026 0.000 0.991 216 G CA 0.053 45.161 45.100 0.012 0.000 0.689 216 G HN 0.135 nan 8.290 nan 0.000 0.522 217 V N 0.712 120.643 119.914 0.027 0.000 2.530 217 V HA 0.346 4.466 4.120 0.000 0.000 0.282 217 V C 0.795 176.934 176.094 0.076 0.000 1.048 217 V CA 0.084 62.411 62.300 0.046 0.000 0.997 217 V CB 1.693 33.535 31.823 0.032 0.000 0.987 217 V HN 0.331 nan 8.190 nan 0.000 0.477 218 D N 4.813 125.285 120.400 0.120 0.000 2.608 218 D HA 0.217 4.857 4.640 0.000 0.000 0.224 218 D C -0.391 176.097 176.300 0.313 0.000 1.123 218 D CA 0.227 54.351 54.000 0.207 0.000 1.030 218 D CB -0.186 40.758 40.800 0.240 0.000 1.093 218 D HN 0.519 nan 8.370 nan 0.000 0.497 219 I N 0.605 121.302 120.570 0.212 0.000 2.582 219 I HA 0.350 4.520 4.170 0.000 0.000 0.292 219 I C -0.990 175.222 176.117 0.158 0.000 1.066 219 I CA -0.698 60.711 61.300 0.183 0.000 1.053 219 I CB 1.805 39.840 38.000 0.058 0.000 1.241 219 I HN 0.051 nan 8.210 nan 0.000 0.421 220 S N 6.027 121.829 115.700 0.169 0.000 2.489 220 S HA 0.660 5.131 4.470 0.000 0.000 0.291 220 S C -0.969 173.617 174.600 -0.023 0.000 1.151 220 S CA -0.446 57.818 58.200 0.106 0.000 1.082 220 S CB 1.347 64.675 63.200 0.212 0.000 1.019 220 S HN 0.436 nan 8.310 nan 0.000 0.492 221 V N 5.739 125.649 119.914 -0.008 0.000 2.378 221 V HA 0.543 4.663 4.120 0.000 0.000 0.288 221 V C -0.952 175.156 176.094 0.023 0.000 1.016 221 V CA -0.655 61.632 62.300 -0.021 0.000 0.840 221 V CB 0.707 32.523 31.823 -0.011 0.000 0.994 221 V HN 0.849 nan 8.190 nan 0.000 0.431 222 F N 3.411 123.280 119.950 -0.135 0.000 2.477 222 F HA 0.819 5.346 4.527 0.000 0.000 0.335 222 F C 0.578 176.461 175.800 0.137 0.000 1.130 222 F CA -0.581 57.413 58.000 -0.009 0.000 0.948 222 F CB 1.732 40.707 39.000 -0.040 0.000 1.154 222 F HN 0.564 nan 8.300 nan 0.000 0.439 223 G N 3.743 112.641 108.800 0.163 0.000 2.412 223 G HA2 0.555 4.515 3.960 0.000 0.000 0.318 223 G HA3 0.555 4.515 3.960 0.000 0.000 0.318 223 G C -1.766 173.351 174.900 0.362 0.000 1.146 223 G CA -0.638 44.611 45.100 0.249 0.000 0.882 223 G HN 0.519 nan 8.290 nan 0.000 0.501 224 V N 3.998 124.107 119.914 0.325 0.000 2.380 224 V HA 0.316 4.436 4.120 0.000 0.000 0.286 224 V C -1.945 174.310 176.094 0.267 0.000 1.015 224 V CA -1.483 61.002 62.300 0.308 0.000 0.834 224 V CB 1.827 33.803 31.823 0.256 0.000 1.009 224 V HN 0.718 nan 8.190 nan 0.000 0.428 225 P HA 0.056 nan 4.420 nan 0.000 0.264 225 P C -0.796 176.481 177.300 -0.038 0.000 1.183 225 P CA 0.090 63.245 63.100 0.091 0.000 0.763 225 P CB 1.020 32.759 31.700 0.065 0.000 0.807 226 K N 2.158 122.494 120.400 -0.107 0.000 2.541 226 K HA 0.502 4.823 4.320 0.000 0.000 0.250 226 K C -1.574 174.916 176.600 -0.182 0.000 0.950 226 K CA -0.376 55.727 56.287 -0.307 0.000 0.805 226 K CB 1.486 33.967 32.500 -0.033 0.000 1.166 226 K HN 0.449 nan 8.250 nan 0.000 0.430 227 T N 4.351 118.763 114.554 -0.237 0.000 3.933 227 T HA 0.135 4.485 4.350 0.000 0.000 0.379 227 T C 0.658 175.343 174.700 -0.025 0.000 1.232 227 T CA -0.586 61.471 62.100 -0.072 0.000 1.122 227 T CB 0.656 69.508 68.868 -0.025 0.000 1.239 227 T HN 0.551 nan 8.240 nan 0.000 0.475 228 I N 0.407 121.010 120.570 0.055 0.000 2.439 228 I HA 0.062 4.232 4.170 0.000 0.000 0.251 228 I C 1.848 178.131 176.117 0.277 0.000 1.139 228 I CA 1.115 62.503 61.300 0.146 0.000 1.438 228 I CB -0.538 37.537 38.000 0.124 0.000 1.085 228 I HN 0.429 nan 8.210 nan 0.000 0.427 229 D N 0.957 121.481 120.400 0.208 0.000 2.221 229 D HA -0.213 4.427 4.640 0.000 0.000 0.204 229 D C 0.972 177.408 176.300 0.227 0.000 0.982 229 D CA 1.431 55.589 54.000 0.264 0.000 0.857 229 D CB -0.437 40.475 40.800 0.188 0.000 0.934 229 D HN 0.474 nan 8.370 nan 0.000 0.475 230 N N -0.021 118.694 118.700 0.026 0.000 2.780 230 N HA -0.172 4.568 4.740 0.000 0.000 0.248 230 N C 0.026 175.414 175.510 -0.203 0.000 1.102 230 N CA 0.646 53.517 53.050 -0.297 0.000 0.697 230 N CB -1.050 36.830 38.487 -1.012 0.000 1.028 230 N HN 0.116 nan 8.380 nan 0.000 0.554 231 D N -0.296 120.112 120.400 0.012 0.000 2.277 231 D HA -0.025 4.615 4.640 0.000 0.000 0.208 231 D C 0.759 177.090 176.300 0.053 0.000 0.962 231 D CA 0.047 54.110 54.000 0.104 0.000 0.865 231 D CB 0.082 40.956 40.800 0.122 0.000 0.939 231 D HN 0.394 nan 8.370 nan 0.000 0.510 232 L N 2.680 123.907 121.223 0.007 0.000 2.584 232 L HA -0.021 4.320 4.340 0.000 0.000 0.272 232 L C 0.808 177.699 176.870 0.036 0.000 1.195 232 L CA 0.342 55.200 54.840 0.029 0.000 0.920 232 L CB 0.387 42.456 42.059 0.017 0.000 1.173 232 L HN -0.026 nan 8.230 nan 0.000 0.489 233 S N 4.591 120.351 115.700 0.100 0.000 2.617 233 S HA 0.149 4.619 4.470 0.000 0.000 0.255 233 S C 0.549 175.273 174.600 0.205 0.000 1.318 233 S CA -0.172 58.096 58.200 0.114 0.000 0.978 233 S CB 0.191 63.513 63.200 0.203 0.000 0.961 233 S HN 0.595 nan 8.310 nan 0.000 0.582 234 F N -0.884 119.081 119.950 0.025 0.000 3.097 234 F HA -0.153 4.374 4.527 0.000 0.000 0.278 234 F C 0.774 176.514 175.800 -0.100 0.000 0.917 234 F CA 1.119 59.128 58.000 0.015 0.000 0.962 234 F CB -1.795 37.238 39.000 0.055 0.000 0.964 234 F HN 0.721 nan 8.300 nan 0.000 0.668 235 S N -2.047 113.608 115.700 -0.076 0.000 2.537 235 S HA 0.520 4.990 4.470 0.000 0.000 0.270 235 S C 0.101 174.605 174.600 -0.160 0.000 1.142 235 S CA -0.603 57.520 58.200 -0.129 0.000 0.870 235 S CB 1.082 64.270 63.200 -0.020 0.000 1.112 235 S HN 0.320 nan 8.310 nan 0.000 0.466 236 H N 1.467 120.403 119.070 -0.224 0.000 2.874 236 H HA 0.420 4.976 4.556 0.000 0.000 0.264 236 H C 0.678 175.793 175.328 -0.354 0.000 1.007 236 H CA -0.236 55.626 56.048 -0.309 0.000 1.207 236 H CB 0.680 30.267 29.762 -0.292 0.000 1.487 236 H HN 0.346 nan 8.280 nan 0.000 0.505 237 R N 1.371 121.778 120.500 -0.155 0.000 2.633 237 R HA 0.140 4.480 4.340 0.000 0.000 0.256 237 R C -1.657 174.678 176.300 0.058 0.000 1.131 237 R CA -0.335 55.640 56.100 -0.207 0.000 0.994 237 R CB 1.527 31.654 30.300 -0.288 0.000 1.261 237 R HN 0.146 nan 8.270 nan 0.000 0.446 238 T N 1.007 115.610 114.554 0.082 0.000 2.885 238 T HA 0.495 4.845 4.350 0.000 0.000 0.285 238 T C 0.244 175.201 174.700 0.429 0.000 1.019 238 T CA -0.834 61.418 62.100 0.253 0.000 1.010 238 T CB 0.933 69.775 68.868 -0.043 0.000 1.022 238 T HN 0.383 nan 8.240 nan 0.000 0.466 239 F N 0.712 120.966 119.950 0.508 0.000 2.572 239 F HA 0.515 5.042 4.527 0.000 0.000 0.370 239 F C 1.290 177.263 175.800 0.288 0.000 1.103 239 F CA 0.443 58.710 58.000 0.445 0.000 1.286 239 F CB -0.270 38.835 39.000 0.176 0.000 1.105 239 F HN 1.064 nan 8.300 nan 0.000 0.583 240 G N 3.572 112.663 108.800 0.485 0.000 2.308 240 G HA2 -0.376 3.584 3.960 0.000 0.000 0.221 240 G HA3 -0.376 3.584 3.960 0.000 0.000 0.221 240 G C 0.672 175.708 174.900 0.226 0.000 1.032 240 G CA 0.214 45.504 45.100 0.316 0.000 0.623 240 G HN 0.846 nan 8.290 nan 0.000 0.506 241 F N 1.774 121.783 119.950 0.098 0.000 2.126 241 F HA -0.037 4.490 4.527 0.000 0.000 0.299 241 F C 2.761 178.593 175.800 0.052 0.000 1.096 241 F CA 2.805 60.839 58.000 0.056 0.000 1.255 241 F CB -0.009 39.002 39.000 0.020 0.000 0.997 241 F HN 0.338 nan 8.300 nan 0.000 0.479 242 Q N -0.720 119.105 119.800 0.041 0.000 2.172 242 Q HA -0.132 4.208 4.340 0.000 0.000 0.200 242 Q C 2.093 178.041 176.000 -0.087 0.000 0.964 242 Q CA 1.825 57.579 55.803 -0.081 0.000 0.855 242 Q CB -0.281 28.481 28.738 0.041 0.000 0.918 242 Q HN 0.386 nan 8.270 nan 0.000 0.444 243 T N 1.023 115.575 114.554 -0.004 0.000 2.746 243 T HA -0.145 4.205 4.350 0.000 0.000 0.267 243 T C 1.926 176.600 174.700 -0.043 0.000 1.039 243 T CA 1.197 63.300 62.100 0.005 0.000 1.142 243 T CB -0.248 68.657 68.868 0.062 0.000 0.866 243 T HN 0.373 nan 8.240 nan 0.000 0.444 244 A N 1.092 123.868 122.820 -0.073 0.000 1.908 244 A HA -0.087 4.233 4.320 0.000 0.000 0.218 244 A C 2.581 180.073 177.584 -0.153 0.000 1.181 244 A CA 1.541 53.520 52.037 -0.097 0.000 0.627 244 A CB -1.087 17.853 19.000 -0.100 0.000 0.818 244 A HN 0.365 nan 8.150 nan 0.000 0.445 245 V N 0.226 119.981 119.914 -0.266 0.000 2.343 245 V HA -0.219 3.901 4.120 0.000 0.000 0.247 245 V C 2.570 178.589 176.094 -0.125 0.000 1.051 245 V CA 2.077 64.237 62.300 -0.233 0.000 1.036 245 V CB -0.740 30.893 31.823 -0.316 0.000 0.654 245 V HN 0.513 nan 8.190 nan 0.000 0.451 246 E N 0.365 120.505 120.200 -0.100 0.000 2.058 246 E HA -0.194 4.156 4.350 0.000 0.000 0.194 246 E C 2.290 178.862 176.600 -0.046 0.000 0.997 246 E CA 1.126 57.491 56.400 -0.058 0.000 0.801 246 E CB -0.280 29.397 29.700 -0.038 0.000 0.746 246 E HN 0.490 nan 8.360 nan 0.000 0.450 247 K N 0.505 120.880 120.400 -0.042 0.000 2.155 247 K HA 0.036 4.356 4.320 0.000 0.000 0.203 247 K C 2.063 178.642 176.600 -0.036 0.000 1.052 247 K CA 0.932 57.202 56.287 -0.029 0.000 0.948 247 K CB -0.436 32.055 32.500 -0.016 0.000 0.728 247 K HN 0.076 nan 8.250 nan 0.000 0.448 248 A N 1.286 124.077 122.820 -0.049 0.000 1.902 248 A HA -0.107 4.213 4.320 0.000 0.000 0.217 248 A C 2.507 180.067 177.584 -0.040 0.000 1.181 248 A CA 1.463 53.472 52.037 -0.046 0.000 0.623 248 A CB -0.663 18.305 19.000 -0.055 0.000 0.818 248 A HN 0.050 nan 8.150 nan 0.000 0.443 249 V N -0.126 119.761 119.914 -0.045 0.000 2.343 249 V HA -0.317 3.803 4.120 0.000 0.000 0.247 249 V C 2.632 178.706 176.094 -0.032 0.000 1.051 249 V CA 2.255 64.531 62.300 -0.041 0.000 1.036 249 V CB -0.862 30.933 31.823 -0.047 0.000 0.654 249 V HN 0.641 nan 8.190 nan 0.000 0.451 250 Q N -0.370 119.412 119.800 -0.029 0.000 2.084 250 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 250 Q C 2.431 178.421 176.000 -0.016 0.000 0.978 250 Q CA 1.793 57.584 55.803 -0.021 0.000 0.844 250 Q CB -0.402 28.325 28.738 -0.018 0.000 0.898 250 Q HN 0.687 nan 8.270 nan 0.000 0.426 251 A N 0.877 123.684 122.820 -0.022 0.000 1.902 251 A HA -0.185 4.135 4.320 0.000 0.000 0.217 251 A C 2.011 179.588 177.584 -0.010 0.000 1.181 251 A CA 1.217 53.239 52.037 -0.025 0.000 0.623 251 A CB -0.658 18.318 19.000 -0.040 0.000 0.818 251 A HN 0.329 nan 8.150 nan 0.000 0.443 252 I N -1.029 119.536 120.570 -0.007 0.000 2.286 252 I HA -0.245 3.925 4.170 0.000 0.000 0.248 252 I C 2.698 178.842 176.117 0.044 0.000 1.115 252 I CA 0.914 62.222 61.300 0.013 0.000 1.392 252 I CB -0.371 37.627 38.000 -0.002 0.000 1.065 252 I HN 0.237 nan 8.210 nan 0.000 0.418 253 R N 1.005 121.517 120.500 0.020 0.000 2.083 253 R HA -0.144 4.196 4.340 0.000 0.000 0.237 253 R C 2.379 178.728 176.300 0.082 0.000 1.137 253 R CA 1.719 57.840 56.100 0.036 0.000 0.951 253 R CB -0.847 29.454 30.300 0.001 0.000 0.851 253 R HN 0.392 nan 8.270 nan 0.000 0.434 254 A N 1.017 123.863 122.820 0.044 0.000 1.902 254 A HA -0.054 4.266 4.320 0.000 0.000 0.217 254 A C 2.396 180.007 177.584 0.046 0.000 1.181 254 A CA 1.749 53.808 52.037 0.037 0.000 0.623 254 A CB -0.528 18.476 19.000 0.007 0.000 0.818 254 A HN 0.363 nan 8.150 nan 0.000 0.443 255 A N -1.502 121.347 122.820 0.048 0.000 1.902 255 A HA -0.122 4.198 4.320 0.000 0.000 0.217 255 A C 2.149 179.773 177.584 0.066 0.000 1.181 255 A CA 1.665 53.729 52.037 0.045 0.000 0.623 255 A CB -0.816 18.208 19.000 0.041 0.000 0.818 255 A HN 0.716 nan 8.150 nan 0.000 0.443 256 Y N 0.536 120.830 120.300 -0.010 0.000 2.145 256 Y HA -0.084 4.466 4.550 0.000 0.000 0.286 256 Y C 2.693 178.590 175.900 -0.005 0.000 1.145 256 Y CA 1.381 59.477 58.100 -0.007 0.000 1.148 256 Y CB -0.514 37.938 38.460 -0.012 0.000 0.981 256 Y HN 0.323 nan 8.280 nan 0.000 0.507 257 A N 0.504 123.412 122.820 0.147 0.000 1.873 257 A HA -0.243 4.077 4.320 0.000 0.000 0.218 257 A C 2.135 179.697 177.584 -0.038 0.000 1.193 257 A CA 2.122 54.195 52.037 0.060 0.000 0.629 257 A CB -0.761 18.283 19.000 0.074 0.000 0.826 257 A HN 0.561 nan 8.150 nan 0.000 0.447 258 E N -0.303 119.883 120.200 -0.023 0.000 2.051 258 E HA -0.160 4.190 4.350 0.000 0.000 0.192 258 E C 2.425 178.986 176.600 -0.065 0.000 0.991 258 E CA 1.293 57.674 56.400 -0.031 0.000 0.799 258 E CB -0.629 29.067 29.700 -0.007 0.000 0.748 258 E HN 0.586 nan 8.360 nan 0.000 0.449 259 A N 1.091 123.851 122.820 -0.099 0.000 1.877 259 A HA -0.136 4.185 4.320 0.000 0.000 0.216 259 A C 2.492 179.961 177.584 -0.191 0.000 1.186 259 A CA 1.548 53.514 52.037 -0.119 0.000 0.620 259 A CB -0.815 18.108 19.000 -0.128 0.000 0.822 259 A HN 0.182 nan 8.150 nan 0.000 0.443 260 V N 0.010 119.722 119.914 -0.336 0.000 2.759 260 V HA -0.116 4.004 4.120 0.000 0.000 0.256 260 V C 2.188 178.176 176.094 -0.177 0.000 1.080 260 V CA 2.285 64.389 62.300 -0.326 0.000 1.101 260 V CB -0.297 31.232 31.823 -0.489 0.000 0.698 260 V HN 0.524 nan 8.190 nan 0.000 0.477 261 S N 0.167 115.790 115.700 -0.129 0.000 2.562 261 S HA 0.398 4.868 4.470 0.000 0.000 0.221 261 S C 0.584 175.140 174.600 -0.073 0.000 0.975 261 S CA 0.567 58.718 58.200 -0.080 0.000 0.918 261 S CB -0.005 63.165 63.200 -0.051 0.000 0.772 261 S HN 0.694 nan 8.310 nan 0.000 0.531 262 A N 1.554 124.323 122.820 -0.085 0.000 2.365 262 A HA 0.523 4.844 4.320 0.000 0.000 0.318 262 A C -0.313 177.200 177.584 -0.118 0.000 1.091 262 A CA -0.745 51.250 52.037 -0.071 0.000 0.763 262 A CB 0.603 19.584 19.000 -0.032 0.000 1.248 262 A HN 0.330 nan 8.150 nan 0.000 0.442 263 N N 1.041 119.668 118.700 -0.121 0.000 2.452 263 N HA 0.207 4.947 4.740 0.000 0.000 0.266 263 N C -1.052 174.340 175.510 -0.197 0.000 1.209 263 N CA 0.073 52.988 53.050 -0.225 0.000 0.929 263 N CB -0.086 38.320 38.487 -0.135 0.000 1.063 263 N HN 0.550 nan 8.380 nan 0.000 0.472 264 Y N -0.448 119.665 120.300 -0.311 0.000 3.027 264 Y HA -0.198 4.352 4.550 0.000 0.000 0.195 264 Y C 0.765 176.534 175.900 -0.219 0.000 1.381 264 Y CA 0.669 58.384 58.100 -0.641 0.000 1.015 264 Y CB -1.788 36.220 38.460 -0.752 0.000 1.329 264 Y HN 0.570 nan 8.280 nan 0.000 0.462 265 G N -0.238 108.586 108.800 0.039 0.000 2.367 265 G HA2 0.608 4.568 3.960 0.000 0.000 0.314 265 G HA3 0.608 4.568 3.960 0.000 0.000 0.314 265 G C -0.857 174.175 174.900 0.221 0.000 1.130 265 G CA -0.552 44.614 45.100 0.110 0.000 0.864 265 G HN 0.209 nan 8.290 nan 0.000 0.486 266 V N 1.106 121.122 119.914 0.170 0.000 2.483 266 V HA 0.695 4.815 4.120 0.000 0.000 0.297 266 V C 0.556 176.690 176.094 0.067 0.000 1.027 266 V CA -0.625 61.743 62.300 0.114 0.000 0.855 266 V CB 1.685 33.571 31.823 0.104 0.000 0.995 266 V HN 0.972 nan 8.190 nan 0.000 0.424 267 G N 3.489 112.312 108.800 0.039 0.000 2.384 267 G HA2 0.572 4.532 3.960 0.000 0.000 0.316 267 G HA3 0.572 4.532 3.960 0.000 0.000 0.316 267 G C -0.888 174.042 174.900 0.051 0.000 1.160 267 G CA -0.381 44.745 45.100 0.043 0.000 0.936 267 G HN 0.522 nan 8.290 nan 0.000 0.455 268 V N 3.315 123.287 119.914 0.097 0.000 2.370 268 V HA 0.390 4.510 4.120 0.000 0.000 0.279 268 V C -0.131 176.052 176.094 0.149 0.000 1.029 268 V CA -0.534 61.844 62.300 0.129 0.000 0.870 268 V CB 1.475 33.410 31.823 0.186 0.000 0.984 268 V HN 0.525 nan 8.190 nan 0.000 0.451 269 V N 4.956 124.915 119.914 0.075 0.000 2.409 269 V HA 0.459 4.580 4.120 0.000 0.000 0.291 269 V C -0.055 176.062 176.094 0.038 0.000 1.020 269 V CA -1.021 61.291 62.300 0.020 0.000 0.848 269 V CB 1.594 33.411 31.823 -0.010 0.000 0.990 269 V HN 0.844 nan 8.190 nan 0.000 0.430 270 K N 4.982 125.405 120.400 0.039 0.000 2.201 270 K HA 0.744 5.064 4.320 0.000 0.000 0.278 270 K C -1.274 175.321 176.600 -0.008 0.000 1.027 270 K CA -0.453 55.866 56.287 0.053 0.000 0.909 270 K CB 0.919 33.497 32.500 0.129 0.000 1.062 270 K HN 0.659 nan 8.250 nan 0.000 0.465 271 L N 3.956 125.178 121.223 -0.001 0.000 2.333 271 L HA 0.456 4.796 4.340 0.000 0.000 0.263 271 L C 0.013 176.892 176.870 0.015 0.000 1.014 271 L CA -1.490 53.349 54.840 -0.003 0.000 0.820 271 L CB 1.848 43.908 42.059 0.002 0.000 1.352 271 L HN 0.610 nan 8.230 nan 0.000 0.421 272 M N 1.266 120.880 119.600 0.024 0.000 2.247 272 M HA 0.254 4.734 4.480 0.000 0.000 0.318 272 M C 0.672 177.014 176.300 0.070 0.000 1.054 272 M CA 0.410 55.739 55.300 0.049 0.000 1.117 272 M CB -0.500 32.141 32.600 0.068 0.000 1.515 272 M HN 0.809 nan 8.290 nan 0.000 0.442 273 G N 2.287 111.131 108.800 0.073 0.000 2.906 273 G HA2 0.023 3.983 3.960 0.000 0.000 0.235 273 G HA3 0.023 3.983 3.960 0.000 0.000 0.235 273 G C 0.484 175.415 174.900 0.053 0.000 3.666 273 G CA -0.709 44.436 45.100 0.075 0.000 0.647 273 G HN 0.750 nan 8.290 nan 0.000 0.417 274 R N 0.038 120.573 120.500 0.058 0.000 2.070 274 R HA -0.025 4.315 4.340 0.000 0.000 0.233 274 R C 1.028 177.353 176.300 0.041 0.000 1.137 274 R CA 1.755 57.881 56.100 0.043 0.000 0.945 274 R CB 0.137 30.462 30.300 0.042 0.000 0.845 274 R HN 0.394 nan 8.270 nan 0.000 0.430 275 D N -0.805 119.629 120.400 0.058 0.000 2.500 275 D HA 0.068 4.708 4.640 0.000 0.000 0.218 275 D C 0.025 176.325 176.300 0.000 0.000 1.140 275 D CA 0.235 54.269 54.000 0.056 0.000 0.830 275 D CB 0.917 41.795 40.800 0.129 0.000 1.055 275 D HN 0.135 nan 8.370 nan 0.000 0.512 276 S N -1.087 114.612 115.700 -0.001 0.000 2.599 276 S HA 0.643 5.113 4.470 0.000 0.000 0.287 276 S C 0.415 174.949 174.600 -0.109 0.000 1.105 276 S CA -0.751 57.381 58.200 -0.114 0.000 0.899 276 S CB 2.293 65.476 63.200 -0.028 0.000 1.100 276 S HN -0.061 nan 8.310 nan 0.000 0.482 277 G N 0.088 108.722 108.800 -0.277 0.000 4.222 277 G HA2 0.416 4.376 3.960 0.000 0.000 0.301 277 G HA3 0.416 4.376 3.960 0.000 0.000 0.301 277 G C -0.014 174.859 174.900 -0.045 0.000 1.171 277 G CA -0.496 44.529 45.100 -0.124 0.000 0.937 277 G HN 0.534 nan 8.290 nan 0.000 0.557 278 F N 0.774 120.810 119.950 0.143 0.000 2.102 278 F HA 0.028 4.555 4.527 0.000 0.000 0.298 278 F C 2.513 178.514 175.800 0.335 0.000 1.105 278 F CA 1.038 59.182 58.000 0.239 0.000 1.239 278 F CB -0.195 38.925 39.000 0.201 0.000 0.991 278 F HN 0.194 nan 8.300 nan 0.000 0.474 279 I N -0.383 120.479 120.570 0.486 0.000 2.179 279 I HA -0.306 3.864 4.170 0.000 0.000 0.242 279 I C 2.642 178.823 176.117 0.106 0.000 1.088 279 I CA 1.217 62.628 61.300 0.185 0.000 1.357 279 I CB -0.821 37.238 38.000 0.098 0.000 1.051 279 I HN 0.104 nan 8.210 nan 0.000 0.409 280 A N 0.834 123.724 122.820 0.116 0.000 1.883 280 A HA -0.200 4.120 4.320 0.000 0.000 0.217 280 A C 2.546 180.201 177.584 0.118 0.000 1.186 280 A CA 2.062 54.149 52.037 0.083 0.000 0.624 280 A CB -0.944 18.098 19.000 0.070 0.000 0.822 280 A HN 0.439 nan 8.150 nan 0.000 0.444 281 A N -0.807 122.130 122.820 0.195 0.000 1.858 281 A HA -0.229 4.091 4.320 0.000 0.000 0.216 281 A C 2.160 179.836 177.584 0.152 0.000 1.190 281 A CA 1.708 53.889 52.037 0.240 0.000 0.617 281 A CB -0.704 18.517 19.000 0.369 0.000 0.827 281 A HN 0.643 nan 8.150 nan 0.000 0.443 282 Q N -0.802 119.106 119.800 0.180 0.000 2.096 282 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 282 Q C 2.410 178.430 176.000 0.034 0.000 0.982 282 Q CA 1.463 57.337 55.803 0.119 0.000 0.850 282 Q CB -0.396 28.433 28.738 0.152 0.000 0.901 282 Q HN 0.687 nan 8.270 nan 0.000 0.422 283 A N 0.970 123.797 122.820 0.012 0.000 2.015 283 A HA -0.067 4.253 4.320 0.000 0.000 0.219 283 A C 2.255 179.828 177.584 -0.017 0.000 1.163 283 A CA 1.434 53.459 52.037 -0.021 0.000 0.646 283 A CB -0.525 18.458 19.000 -0.029 0.000 0.806 283 A HN 0.393 nan 8.150 nan 0.000 0.448 284 A N -0.500 122.318 122.820 -0.003 0.000 1.873 284 A HA 0.038 4.358 4.320 0.000 0.000 0.215 284 A C 2.204 179.762 177.584 -0.044 0.000 1.186 284 A CA 1.758 53.779 52.037 -0.027 0.000 0.616 284 A CB -0.810 18.169 19.000 -0.036 0.000 0.823 284 A HN 0.374 nan 8.150 nan 0.000 0.442 285 V N -0.143 119.751 119.914 -0.033 0.000 2.323 285 V HA -0.163 3.957 4.120 0.000 0.000 0.244 285 V C 3.047 179.119 176.094 -0.037 0.000 1.041 285 V CA 1.702 63.977 62.300 -0.040 0.000 1.025 285 V CB -1.354 30.456 31.823 -0.023 0.000 0.656 285 V HN 0.588 nan 8.190 nan 0.000 0.451 286 A N 1.061 123.864 122.820 -0.028 0.000 1.892 286 A HA -0.259 4.061 4.320 0.000 0.000 0.218 286 A C 2.565 180.119 177.584 -0.049 0.000 1.188 286 A CA 2.726 54.743 52.037 -0.035 0.000 0.631 286 A CB -0.822 18.158 19.000 -0.035 0.000 0.822 286 A HN 0.693 nan 8.150 nan 0.000 0.447 287 S N -1.549 114.119 115.700 -0.055 0.000 2.414 287 S HA 0.293 4.764 4.470 0.000 0.000 0.227 287 S C 1.406 175.951 174.600 -0.093 0.000 1.022 287 S CA 1.360 59.516 58.200 -0.074 0.000 0.958 287 S CB -0.463 62.698 63.200 -0.066 0.000 0.797 287 S HN 2.122 nan 8.310 nan 0.000 0.493 288 A N 0.161 122.935 122.820 -0.076 0.000 2.816 288 A HA -0.249 4.071 4.320 0.000 0.000 0.270 288 A C 1.136 178.665 177.584 -0.090 0.000 1.413 288 A CA 1.451 53.441 52.037 -0.078 0.000 0.866 288 A CB -2.459 16.494 19.000 -0.078 0.000 1.032 288 A HN 0.721 nan 8.150 nan 0.000 0.642 289 Q N -1.403 118.344 119.800 -0.088 0.000 2.189 289 Q HA 0.493 4.833 4.340 0.000 0.000 0.223 289 Q C 0.619 176.641 176.000 0.036 0.000 0.828 289 Q CA 0.464 56.225 55.803 -0.070 0.000 0.967 289 Q CB 0.908 29.534 28.738 -0.188 0.000 1.139 289 Q HN 1.119 nan 8.270 nan 0.000 0.497 290 A N 0.880 123.699 122.820 -0.003 0.000 2.363 290 A HA 0.273 4.594 4.320 0.000 0.000 0.270 290 A C 0.378 177.954 177.584 -0.013 0.000 1.121 290 A CA -0.427 51.608 52.037 -0.003 0.000 0.800 290 A CB 0.370 19.351 19.000 -0.032 0.000 1.052 290 A HN 0.184 nan 8.150 nan 0.000 0.493 291 N N 0.613 119.305 118.700 -0.014 0.000 2.368 291 N HA 0.202 4.942 4.740 0.000 0.000 0.178 291 N C -0.361 175.116 175.510 -0.056 0.000 1.076 291 N CA 0.846 53.880 53.050 -0.026 0.000 0.889 291 N CB 0.488 38.958 38.487 -0.029 0.000 1.040 291 N HN 0.660 nan 8.380 nan 0.000 0.463 292 I N 0.183 120.712 120.570 -0.069 0.000 2.607 292 I HA 0.206 4.376 4.170 0.000 0.000 0.290 292 I C -1.190 174.875 176.117 -0.086 0.000 1.129 292 I CA -0.657 60.593 61.300 -0.083 0.000 1.042 292 I CB 2.967 40.907 38.000 -0.101 0.000 1.242 292 I HN -0.147 nan 8.210 nan 0.000 0.421 293 C N 7.997 127.255 119.300 -0.069 0.000 2.356 293 C HA 0.595 5.055 4.460 0.000 0.000 0.324 293 C C -0.491 174.500 174.990 0.001 0.000 1.167 293 C CA -0.440 58.561 59.018 -0.027 0.000 1.420 293 C CB -0.295 27.451 27.740 0.009 0.000 2.036 293 C HN 0.630 nan 8.230 nan 0.000 0.435 294 L N 7.506 128.588 121.223 -0.234 0.000 2.265 294 L HA 0.732 5.072 4.340 0.000 0.000 0.289 294 L C 0.174 176.833 176.870 -0.351 0.000 1.033 294 L CA -0.311 54.186 54.840 -0.571 0.000 0.814 294 L CB 1.029 42.171 42.059 -1.529 0.000 1.203 294 L HN 0.553 nan 8.230 nan 0.000 0.423 295 V N 1.003 120.872 119.914 -0.076 0.000 2.960 295 V HA 0.555 4.675 4.120 0.000 0.000 0.315 295 V C -2.039 174.118 176.094 0.105 0.000 1.087 295 V CA -1.633 60.659 62.300 -0.013 0.000 0.982 295 V CB 1.766 33.491 31.823 -0.162 0.000 1.039 295 V HN 0.451 nan 8.190 nan 0.000 0.437 296 P HA -0.086 nan 4.420 nan 0.000 0.222 296 P C 0.803 178.051 177.300 -0.087 0.000 1.147 296 P CA 1.235 64.329 63.100 -0.011 0.000 0.790 296 P CB 0.352 32.035 31.700 -0.028 0.000 0.780 297 E N -0.542 119.550 120.200 -0.180 0.000 2.502 297 E HA 0.021 4.371 4.350 0.000 0.000 0.194 297 E C 0.908 177.376 176.600 -0.219 0.000 1.062 297 E CA 0.246 56.504 56.400 -0.237 0.000 0.867 297 E CB -0.430 29.047 29.700 -0.373 0.000 0.888 297 E HN 0.329 nan 8.360 nan 0.000 0.510 298 N N 0.714 119.332 118.700 -0.138 0.000 2.687 298 N HA 0.106 4.846 4.740 0.000 0.000 0.275 298 N C -2.756 172.815 175.510 0.102 0.000 1.789 298 N CA -1.404 51.613 53.050 -0.054 0.000 0.806 298 N CB 0.648 39.074 38.487 -0.102 0.000 1.256 298 N HN -0.099 nan 8.380 nan 0.000 0.500 299 P HA 0.112 nan 4.420 nan 0.000 0.266 299 P C -0.385 176.968 177.300 0.087 0.000 1.195 299 P CA 0.241 63.299 63.100 -0.070 0.000 0.768 299 P CB 0.992 32.601 31.700 -0.151 0.000 0.838 300 I N -1.744 118.938 120.570 0.186 0.000 3.006 300 I HA 0.441 4.612 4.170 0.000 0.000 0.306 300 I C -0.127 176.240 176.117 0.416 0.000 1.250 300 I CA -1.323 60.146 61.300 0.282 0.000 0.996 300 I CB 2.037 40.227 38.000 0.317 0.000 1.261 300 I HN 0.280 nan 8.210 nan 0.000 0.442 301 S N 1.003 116.844 115.700 0.235 0.000 2.584 301 S HA 0.096 4.566 4.470 0.000 0.000 0.270 301 S C 0.903 175.541 174.600 0.063 0.000 1.346 301 S CA 0.248 58.492 58.200 0.073 0.000 1.018 301 S CB 1.084 64.263 63.200 -0.035 0.000 0.899 301 S HN 0.943 nan 8.310 nan 0.000 0.542 302 E N 0.811 120.735 120.200 -0.459 0.000 2.204 302 E HA -0.238 4.112 4.350 0.000 0.000 0.194 302 E C 1.433 177.909 176.600 -0.206 0.000 0.989 302 E CA 0.911 57.003 56.400 -0.513 0.000 0.824 302 E CB -0.326 28.754 29.700 -1.034 0.000 0.756 302 E HN 0.687 nan 8.360 nan 0.000 0.477 303 Q N 1.125 120.819 119.800 -0.178 0.000 2.084 303 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 303 Q C 1.930 177.884 176.000 -0.077 0.000 0.978 303 Q CA 1.957 57.693 55.803 -0.112 0.000 0.844 303 Q CB -0.154 28.540 28.738 -0.073 0.000 0.898 303 Q HN 0.526 nan 8.270 nan 0.000 0.426 304 E N -0.319 119.870 120.200 -0.017 0.000 2.072 304 E HA -0.128 4.222 4.350 0.000 0.000 0.191 304 E C 1.739 178.340 176.600 0.002 0.000 0.985 304 E CA 0.926 57.335 56.400 0.015 0.000 0.801 304 E CB 0.128 29.870 29.700 0.071 0.000 0.750 304 E HN 0.147 nan 8.360 nan 0.000 0.452 305 V N 1.029 120.973 119.914 0.050 0.000 2.332 305 V HA -0.286 3.834 4.120 0.000 0.000 0.248 305 V C 2.370 178.376 176.094 -0.147 0.000 1.055 305 V CA 1.560 63.876 62.300 0.027 0.000 1.038 305 V CB -0.400 31.538 31.823 0.191 0.000 0.651 305 V HN 0.437 nan 8.190 nan 0.000 0.450 306 M N -0.301 119.132 119.600 -0.279 0.000 2.229 306 M HA -0.083 4.398 4.480 0.000 0.000 0.264 306 M C 2.304 178.316 176.300 -0.479 0.000 1.063 306 M CA 1.469 56.366 55.300 -0.671 0.000 1.114 306 M CB -1.443 30.505 32.600 -1.088 0.000 1.387 306 M HN 0.362 nan 8.290 nan 0.000 0.420 307 S N 0.608 116.176 115.700 -0.220 0.000 2.428 307 S HA 0.063 4.533 4.470 0.000 0.000 0.230 307 S C 2.055 176.623 174.600 -0.054 0.000 1.014 307 S CA 0.696 58.848 58.200 -0.079 0.000 0.957 307 S CB -0.152 63.034 63.200 -0.023 0.000 0.784 307 S HN 0.411 nan 8.310 nan 0.000 0.499 308 L N 0.673 121.849 121.223 -0.079 0.000 2.072 308 L HA -0.017 4.323 4.340 0.000 0.000 0.205 308 L C 2.330 179.134 176.870 -0.111 0.000 1.079 308 L CA 0.639 55.443 54.840 -0.060 0.000 0.752 308 L CB -0.415 41.613 42.059 -0.052 0.000 0.906 308 L HN 0.291 nan 8.230 nan 0.000 0.436 309 L N 0.166 121.265 121.223 -0.206 0.000 2.046 309 L HA -0.214 4.126 4.340 0.000 0.000 0.208 309 L C 2.433 179.119 176.870 -0.308 0.000 1.077 309 L CA 1.828 56.456 54.840 -0.355 0.000 0.747 309 L CB -0.613 41.196 42.059 -0.418 0.000 0.896 309 L HN 0.287 nan 8.230 nan 0.000 0.432 310 E N -0.887 119.264 120.200 -0.082 0.000 2.077 310 E HA -0.265 4.085 4.350 0.000 0.000 0.193 310 E C 2.289 179.007 176.600 0.196 0.000 0.989 310 E CA 0.625 57.136 56.400 0.186 0.000 0.800 310 E CB -0.136 29.742 29.700 0.297 0.000 0.746 310 E HN 0.297 nan 8.360 nan 0.000 0.452 311 R N 1.014 121.585 120.500 0.117 0.000 2.083 311 R HA -0.157 4.183 4.340 0.000 0.000 0.237 311 R C 2.386 178.845 176.300 0.265 0.000 1.137 311 R CA 1.802 58.002 56.100 0.167 0.000 0.951 311 R CB -0.675 29.689 30.300 0.106 0.000 0.851 311 R HN 0.100 nan 8.270 nan 0.000 0.434 312 R N 0.057 120.634 120.500 0.127 0.000 2.083 312 R HA -0.060 4.280 4.340 0.000 0.000 0.237 312 R C 2.222 178.527 176.300 0.009 0.000 1.137 312 R CA 1.785 57.897 56.100 0.021 0.000 0.951 312 R CB -1.051 29.151 30.300 -0.164 0.000 0.851 312 R HN 0.308 nan 8.270 nan 0.000 0.434 313 F N -0.820 119.154 119.950 0.041 0.000 2.641 313 F HA -0.163 4.364 4.527 0.000 0.000 0.298 313 F C 1.965 177.928 175.800 0.271 0.000 1.146 313 F CA -0.108 57.985 58.000 0.154 0.000 1.464 313 F CB 0.049 39.098 39.000 0.081 0.000 1.101 313 F HN 0.172 nan 8.300 nan 0.000 0.585 314 C N -0.614 118.947 119.300 0.434 0.000 2.446 314 C HA -0.126 4.334 4.460 0.000 0.000 0.279 314 C C 1.904 177.106 174.990 0.354 0.000 1.366 314 C CA 0.910 60.152 59.018 0.372 0.000 1.763 314 C CB -1.249 26.683 27.740 0.321 0.000 1.929 314 C HN 0.540 nan 8.230 nan 0.000 0.509 315 H N -1.912 117.279 119.070 0.202 0.000 2.767 315 H HA 0.388 4.944 4.556 0.000 0.000 0.260 315 H C -0.082 175.327 175.328 0.134 0.000 1.172 315 H CA 0.390 56.522 56.048 0.141 0.000 1.048 315 H CB -0.037 29.785 29.762 0.099 0.000 1.697 315 H HN 0.300 nan 8.280 nan 0.000 0.606 316 S N 0.304 115.951 115.700 -0.088 0.000 2.587 316 S HA 0.450 4.920 4.470 0.000 0.000 0.269 316 S C -0.274 174.316 174.600 -0.017 0.000 1.154 316 S CA -0.766 57.382 58.200 -0.087 0.000 0.824 316 S CB 1.478 64.558 63.200 -0.200 0.000 1.118 316 S HN 0.405 nan 8.310 nan 0.000 0.462 317 R N 0.822 121.219 120.500 -0.171 0.000 2.432 317 R HA 0.382 4.722 4.340 0.000 0.000 0.260 317 R C -0.417 175.770 176.300 -0.190 0.000 0.935 317 R CA 0.004 55.823 56.100 -0.468 0.000 1.080 317 R CB 0.792 30.740 30.300 -0.586 0.000 1.155 317 R HN 0.429 nan 8.270 nan 0.000 0.531 318 S N -0.285 115.449 115.700 0.056 0.000 2.548 318 S HA 0.484 4.954 4.470 0.000 0.000 0.286 318 S C -1.284 173.409 174.600 0.155 0.000 1.098 318 S CA -0.794 57.462 58.200 0.092 0.000 0.930 318 S CB 2.686 65.805 63.200 -0.134 0.000 1.070 318 S HN 0.190 nan 8.310 nan 0.000 0.480 319 C N 2.666 122.023 119.300 0.095 0.000 2.716 319 C HA 0.646 5.106 4.460 0.000 0.000 0.366 319 C C -1.116 173.854 174.990 -0.034 0.000 1.073 319 C CA -0.213 58.779 59.018 -0.043 0.000 1.260 319 C CB -0.022 27.550 27.740 -0.280 0.000 1.755 319 C HN 0.745 nan 8.230 nan 0.000 0.475 320 V N 7.322 127.227 119.914 -0.015 0.000 2.394 320 V HA 0.536 4.656 4.120 0.000 0.000 0.282 320 V C -0.061 176.019 176.094 -0.024 0.000 1.031 320 V CA -0.180 62.125 62.300 0.009 0.000 0.881 320 V CB 1.514 33.382 31.823 0.074 0.000 0.982 320 V HN 0.724 nan 8.190 nan 0.000 0.451 321 I N 6.050 126.603 120.570 -0.028 0.000 2.410 321 I HA 0.471 4.641 4.170 0.000 0.000 0.286 321 I C -0.441 175.647 176.117 -0.047 0.000 1.009 321 I CA -0.314 60.952 61.300 -0.057 0.000 1.111 321 I CB 1.785 39.740 38.000 -0.075 0.000 1.262 321 I HN 0.417 nan 8.210 nan 0.000 0.443 322 I N 6.748 127.279 120.570 -0.065 0.000 2.385 322 I HA 0.445 4.616 4.170 0.000 0.000 0.294 322 I C -0.521 175.526 176.117 -0.118 0.000 0.988 322 I CA -0.698 60.568 61.300 -0.057 0.000 1.265 322 I CB 1.968 39.947 38.000 -0.035 0.000 1.388 322 I HN 0.250 nan 8.210 nan 0.000 0.480 323 V N 6.243 126.096 119.914 -0.102 0.000 2.668 323 V HA 0.694 4.814 4.120 0.000 0.000 0.304 323 V C -0.245 175.805 176.094 -0.074 0.000 1.071 323 V CA -0.355 61.839 62.300 -0.177 0.000 0.894 323 V CB 1.799 33.496 31.823 -0.210 0.000 1.008 323 V HN 0.836 nan 8.190 nan 0.000 0.425 324 A N 4.280 127.065 122.820 -0.059 0.000 2.340 324 A HA 0.491 4.812 4.320 0.000 0.000 0.268 324 A C 1.066 178.671 177.584 0.034 0.000 1.100 324 A CA 0.274 52.315 52.037 0.007 0.000 0.803 324 A CB 0.424 19.435 19.000 0.018 0.000 1.043 324 A HN 1.127 nan 8.150 nan 0.000 0.488 325 E N 2.024 122.242 120.200 0.031 0.000 2.209 325 E HA -0.159 4.191 4.350 0.000 0.000 0.196 325 E C 1.204 177.817 176.600 0.022 0.000 0.993 325 E CA 1.270 57.686 56.400 0.027 0.000 0.819 325 E CB -0.229 29.486 29.700 0.025 0.000 0.745 325 E HN 0.667 nan 8.360 nan 0.000 0.477 326 G N 0.581 109.398 108.800 0.028 0.000 2.985 326 G HA2 0.029 3.989 3.960 0.000 0.000 0.209 326 G HA3 0.029 3.989 3.960 0.000 0.000 0.209 326 G C -0.012 174.881 174.900 -0.012 0.000 1.165 326 G CA -0.559 44.544 45.100 0.006 0.000 0.776 326 G HN 0.230 nan 8.290 nan 0.000 0.541 327 F N 1.055 120.911 119.950 -0.156 0.000 2.380 327 F HA 0.475 5.002 4.527 0.000 0.000 0.325 327 F C 1.207 176.785 175.800 -0.370 0.000 1.136 327 F CA 0.208 58.067 58.000 -0.234 0.000 1.171 327 F CB 1.194 40.049 39.000 -0.242 0.000 1.230 327 F HN 0.154 nan 8.300 nan 0.000 0.554 328 G N 4.008 111.789 108.800 -1.698 0.000 2.356 328 G HA2 -0.291 3.669 3.960 0.000 0.000 0.296 328 G HA3 -0.291 3.669 3.960 0.000 0.000 0.296 328 G C 0.635 175.153 174.900 -0.635 0.000 1.022 328 G CA 0.521 44.645 45.100 -1.628 0.000 0.961 328 G HN 0.633 nan 8.290 nan 0.000 0.510 329 Q N 0.130 119.720 119.800 -0.349 0.000 2.378 329 Q HA 0.008 4.348 4.340 0.000 0.000 0.205 329 Q C 1.578 177.564 176.000 -0.024 0.000 0.954 329 Q CA 1.467 57.191 55.803 -0.132 0.000 0.901 329 Q CB 0.146 28.827 28.738 -0.095 0.000 0.981 329 Q HN 0.909 nan 8.270 nan 0.000 0.483 330 D N -1.619 118.790 120.400 0.015 0.000 2.894 330 D HA 0.029 4.669 4.640 0.000 0.000 0.248 330 D C -0.317 176.136 176.300 0.255 0.000 1.291 330 D CA -0.280 53.778 54.000 0.096 0.000 0.840 330 D CB -0.421 40.412 40.800 0.055 0.000 1.044 330 D HN -0.072 nan 8.370 nan 0.000 0.484 345 K N 0.614 121.000 120.400 -0.024 0.000 1.944 345 K HA 0.499 4.819 4.320 0.000 0.000 0.252 345 K C -0.135 176.458 176.600 -0.012 0.000 0.834 345 K CA -0.971 55.301 56.287 -0.025 0.000 0.691 345 K CB 0.426 32.917 32.500 -0.015 0.000 1.738 345 K HN 0.519 nan 8.250 nan 0.000 0.540 346 L N 0.876 122.095 121.223 -0.007 0.000 2.488 346 L HA 0.608 4.948 4.340 0.000 0.000 0.249 346 L C 0.270 177.144 176.870 0.006 0.000 1.151 346 L CA -0.608 54.230 54.840 -0.004 0.000 0.806 346 L CB -0.479 41.574 42.059 -0.011 0.000 1.261 346 L HN 0.652 nan 8.230 nan 0.000 0.484 347 I N -2.359 118.213 120.570 0.004 0.000 2.525 347 I HA 0.382 4.552 4.170 0.000 0.000 0.301 347 I C -0.008 176.114 176.117 0.009 0.000 0.992 347 I CA -0.635 60.673 61.300 0.012 0.000 1.162 347 I CB 1.753 39.764 38.000 0.018 0.000 1.332 347 I HN 0.470 nan 8.210 nan 0.000 0.458 348 D N 4.647 125.057 120.400 0.017 0.000 2.380 348 D HA -0.006 4.634 4.640 0.000 0.000 0.270 348 D C 0.958 177.251 176.300 -0.011 0.000 1.363 348 D CA 0.233 54.242 54.000 0.014 0.000 1.057 348 D CB 0.656 41.473 40.800 0.028 0.000 1.096 348 D HN 0.552 nan 8.370 nan 0.000 0.524 349 I N 3.482 124.038 120.570 -0.022 0.000 2.676 349 I HA -0.080 4.090 4.170 0.000 0.000 0.259 349 I C 2.058 178.122 176.117 -0.088 0.000 1.194 349 I CA 0.749 62.016 61.300 -0.055 0.000 1.473 349 I CB -0.671 37.284 38.000 -0.076 0.000 1.096 349 I HN 0.422 nan 8.210 nan 0.000 0.443 350 G N 0.106 108.858 108.800 -0.081 0.000 2.418 350 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 350 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 350 G C 1.719 176.179 174.900 -0.734 0.000 1.158 350 G CA 0.977 45.936 45.100 -0.234 0.000 0.771 350 G HN 0.308 nan 8.290 nan 0.000 0.545 351 V N 1.607 121.235 119.914 -0.477 0.000 2.323 351 V HA -0.089 4.031 4.120 0.000 0.000 0.244 351 V C 2.797 178.775 176.094 -0.193 0.000 1.041 351 V CA 0.930 62.997 62.300 -0.390 0.000 1.025 351 V CB -0.339 31.398 31.823 -0.144 0.000 0.656 351 V HN 0.245 nan 8.190 nan 0.000 0.451 352 I N -0.050 120.472 120.570 -0.080 0.000 2.127 352 I HA -0.238 3.932 4.170 0.000 0.000 0.241 352 I C 2.476 178.646 176.117 0.088 0.000 1.075 352 I CA 1.702 63.028 61.300 0.042 0.000 1.334 352 I CB -1.331 36.747 38.000 0.130 0.000 1.040 352 I HN 0.325 nan 8.210 nan 0.000 0.405 353 L N 0.863 122.122 121.223 0.060 0.000 2.012 353 L HA -0.216 4.124 4.340 0.000 0.000 0.210 353 L C 2.531 179.426 176.870 0.042 0.000 1.073 353 L CA 2.212 57.124 54.840 0.120 0.000 0.748 353 L CB -1.133 40.929 42.059 0.006 0.000 0.891 353 L HN 0.201 nan 8.230 nan 0.000 0.431 354 T N -0.897 113.599 114.554 -0.095 0.000 2.684 354 T HA -0.229 4.121 4.350 0.000 0.000 0.267 354 T C 1.756 176.454 174.700 -0.004 0.000 1.036 354 T CA 1.610 63.664 62.100 -0.077 0.000 1.148 354 T CB -0.227 68.516 68.868 -0.209 0.000 0.863 354 T HN 0.368 nan 8.240 nan 0.000 0.436 355 E N 1.016 121.209 120.200 -0.012 0.000 2.085 355 E HA -0.114 4.236 4.350 0.000 0.000 0.194 355 E C 2.153 178.790 176.600 0.062 0.000 0.994 355 E CA 1.274 57.689 56.400 0.025 0.000 0.801 355 E CB -0.008 29.705 29.700 0.022 0.000 0.743 355 E HN 0.395 nan 8.360 nan 0.000 0.453 356 K N -0.604 119.849 120.400 0.088 0.000 2.217 356 K HA -0.025 4.295 4.320 0.000 0.000 0.202 356 K C 2.005 178.690 176.600 0.143 0.000 1.051 356 K CA 0.872 57.224 56.287 0.109 0.000 0.952 356 K CB 0.194 32.764 32.500 0.116 0.000 0.736 356 K HN 0.048 nan 8.250 nan 0.000 0.453 357 V N 1.807 121.796 119.914 0.126 0.000 2.379 357 V HA -0.202 3.919 4.120 0.000 0.000 0.245 357 V C 2.000 178.204 176.094 0.183 0.000 1.044 357 V CA 1.587 63.977 62.300 0.149 0.000 1.036 357 V CB -0.285 31.591 31.823 0.089 0.000 0.664 357 V HN 0.255 nan 8.190 nan 0.000 0.453 358 K N 0.381 120.856 120.400 0.125 0.000 2.057 358 K HA -0.137 4.184 4.320 0.000 0.000 0.207 358 K C 2.314 178.977 176.600 0.105 0.000 1.049 358 K CA 1.529 57.880 56.287 0.106 0.000 0.931 358 K CB -0.417 32.128 32.500 0.074 0.000 0.714 358 K HN 0.464 nan 8.250 nan 0.000 0.440 359 A N 1.025 123.909 122.820 0.107 0.000 1.902 359 A HA -0.177 4.143 4.320 0.000 0.000 0.217 359 A C 2.008 179.655 177.584 0.106 0.000 1.181 359 A CA 1.202 53.292 52.037 0.088 0.000 0.623 359 A CB -0.727 18.322 19.000 0.081 0.000 0.818 359 A HN 0.387 nan 8.150 nan 0.000 0.443 360 F N 0.450 120.424 119.950 0.038 0.000 2.171 360 F HA -0.123 4.404 4.527 0.000 0.000 0.300 360 F C 1.823 177.675 175.800 0.088 0.000 1.090 360 F CA 1.672 59.702 58.000 0.051 0.000 1.293 360 F CB -0.108 38.918 39.000 0.043 0.000 1.013 360 F HN 0.138 nan 8.300 nan 0.000 0.486 361 L N 0.004 121.276 121.223 0.083 0.000 2.109 361 L HA -0.160 4.180 4.340 0.000 0.000 0.207 361 L C 2.514 179.376 176.870 -0.013 0.000 1.086 361 L CA 0.808 55.676 54.840 0.046 0.000 0.760 361 L CB -0.640 41.508 42.059 0.148 0.000 0.910 361 L HN -0.011 nan 8.230 nan 0.000 0.437 362 K N 0.554 120.951 120.400 -0.005 0.000 2.009 362 K HA -0.135 4.185 4.320 0.000 0.000 0.210 362 K C 2.155 178.716 176.600 -0.065 0.000 1.049 362 K CA 1.587 57.864 56.287 -0.017 0.000 0.929 362 K CB -0.529 31.972 32.500 0.001 0.000 0.714 362 K HN 0.253 nan 8.250 nan 0.000 0.440 363 A N 1.795 124.553 122.820 -0.104 0.000 2.131 363 A HA -0.137 4.183 4.320 0.000 0.000 0.220 363 A C 1.243 178.715 177.584 -0.187 0.000 1.158 363 A CA 1.337 53.293 52.037 -0.136 0.000 0.665 363 A CB -0.209 18.704 19.000 -0.146 0.000 0.795 363 A HN 0.325 nan 8.150 nan 0.000 0.460 364 N N -1.280 117.284 118.700 -0.227 0.000 2.351 364 N HA 0.068 4.808 4.740 0.000 0.000 0.254 364 N C 0.658 176.075 175.510 -0.156 0.000 1.241 364 N CA -0.034 52.877 53.050 -0.230 0.000 0.883 364 N CB 0.733 39.027 38.487 -0.322 0.000 1.202 364 N HN 0.380 nan 8.380 nan 0.000 0.512 365 K N 0.699 121.041 120.400 -0.096 0.000 2.442 365 K HA 0.024 4.344 4.320 0.000 0.000 0.199 365 K C 1.555 178.093 176.600 -0.103 0.000 1.044 365 K CA 1.006 57.257 56.287 -0.060 0.000 0.941 365 K CB 0.178 32.655 32.500 -0.038 0.000 0.759 365 K HN -0.030 nan 8.250 nan 0.000 0.472 366 S N -0.283 115.329 115.700 -0.146 0.000 2.348 366 S HA -0.037 4.434 4.470 0.000 0.000 0.219 366 S C 1.842 176.301 174.600 -0.234 0.000 1.033 366 S CA 0.842 58.950 58.200 -0.154 0.000 0.974 366 S CB -0.199 62.918 63.200 -0.140 0.000 0.868 366 S HN 0.354 nan 8.310 nan 0.000 0.459 367 R N -0.025 120.242 120.500 -0.388 0.000 2.075 367 R HA -0.035 4.305 4.340 0.000 0.000 0.232 367 R C -0.299 175.530 176.300 -0.785 0.000 1.126 367 R CA 1.045 56.767 56.100 -0.630 0.000 0.963 367 R CB 0.005 29.747 30.300 -0.929 0.000 0.858 367 R HN 0.365 nan 8.270 nan 0.000 0.435 368 Y N 1.021 121.133 120.300 -0.314 0.000 2.854 368 Y HA 0.274 4.824 4.550 0.000 0.000 0.330 368 Y C -1.660 174.102 175.900 -0.231 0.000 1.037 368 Y CA -3.332 54.467 58.100 -0.503 0.000 1.263 368 Y CB 0.952 39.081 38.460 -0.552 0.000 1.120 368 Y HN 0.104 nan 8.280 nan 0.000 0.532 369 P HA -0.221 nan 4.420 nan 0.000 0.214 369 P C -0.298 177.026 177.300 0.040 0.000 1.164 369 P CA 1.665 64.769 63.100 0.005 0.000 0.942 369 P CB 0.590 32.312 31.700 0.037 0.000 0.791 370 D N -0.568 119.886 120.400 0.089 0.000 2.248 370 D HA 0.379 5.019 4.640 0.000 0.000 0.246 370 D C 0.037 176.407 176.300 0.117 0.000 1.027 370 D CA -0.144 53.905 54.000 0.081 0.000 0.853 370 D CB 2.092 42.930 40.800 0.063 0.000 1.243 370 D HN 0.194 nan 8.370 nan 0.000 0.462 371 S N 0.240 115.992 115.700 0.086 0.000 2.579 371 S HA 0.741 5.211 4.470 0.000 0.000 0.272 371 S C -0.928 173.720 174.600 0.080 0.000 1.141 371 S CA -0.609 57.647 58.200 0.094 0.000 0.843 371 S CB 2.208 65.464 63.200 0.092 0.000 1.122 371 S HN 0.294 nan 8.310 nan 0.000 0.468 372 T N 1.298 115.905 114.554 0.089 0.000 2.952 372 T HA 0.626 4.976 4.350 0.000 0.000 0.305 372 T C -1.282 173.475 174.700 0.095 0.000 1.064 372 T CA -0.629 61.516 62.100 0.075 0.000 1.008 372 T CB 1.572 70.469 68.868 0.048 0.000 1.078 372 T HN 0.756 nan 8.240 nan 0.000 0.459 373 V N 3.874 123.841 119.914 0.088 0.000 2.444 373 V HA 0.544 4.664 4.120 0.000 0.000 0.294 373 V C -0.600 175.550 176.094 0.093 0.000 1.022 373 V CA -0.953 61.404 62.300 0.095 0.000 0.850 373 V CB 1.676 33.556 31.823 0.096 0.000 0.992 373 V HN 0.657 nan 8.190 nan 0.000 0.426 374 K N 3.955 124.412 120.400 0.095 0.000 2.292 374 K HA 0.475 4.795 4.320 0.000 0.000 0.257 374 K C -1.200 175.493 176.600 0.156 0.000 0.940 374 K CA -0.531 55.815 56.287 0.099 0.000 0.811 374 K CB 2.725 35.259 32.500 0.056 0.000 1.120 374 K HN 0.771 nan 8.250 nan 0.000 0.428 375 Y N 3.139 123.447 120.300 0.013 0.000 2.352 375 Y HA 0.514 5.064 4.550 0.000 0.000 0.339 375 Y C -0.663 175.236 175.900 -0.002 0.000 0.992 375 Y CA -0.942 57.162 58.100 0.006 0.000 1.100 375 Y CB 0.985 39.451 38.460 0.010 0.000 1.192 375 Y HN 0.467 nan 8.280 nan 0.000 0.458 376 I N 6.022 126.290 120.570 -0.503 0.000 2.410 376 I HA 0.198 4.368 4.170 0.000 0.000 0.286 376 I C -1.371 174.341 176.117 -0.675 0.000 1.009 376 I CA -0.644 60.353 61.300 -0.505 0.000 1.111 376 I CB 1.692 39.571 38.000 -0.202 0.000 1.262 376 I HN 0.603 nan 8.210 nan 0.000 0.443 377 D N 9.163 129.176 120.400 -0.646 0.000 2.438 377 D HA 0.311 4.951 4.640 0.000 0.000 0.257 377 D C -1.791 174.346 176.300 -0.272 0.000 1.148 377 D CA -1.845 51.890 54.000 -0.443 0.000 0.902 377 D CB 1.393 41.943 40.800 -0.416 0.000 1.062 377 D HN 0.259 nan 8.370 nan 0.000 0.518 378 P HA 0.132 nan 4.420 nan 0.000 0.258 378 P C 0.778 178.007 177.300 -0.118 0.000 1.416 378 P CA -0.189 62.835 63.100 -0.127 0.000 0.927 378 P CB 0.599 32.246 31.700 -0.089 0.000 1.444 379 S N 0.765 116.346 115.700 -0.199 0.000 2.389 379 S HA -0.216 4.254 4.470 0.000 0.000 0.229 379 S C 1.509 176.055 174.600 -0.090 0.000 1.048 379 S CA 1.654 59.729 58.200 -0.208 0.000 1.117 379 S CB -1.118 61.840 63.200 -0.403 0.000 1.020 379 S HN 0.240 nan 8.310 nan 0.000 0.430 380 Y N 0.946 121.252 120.300 0.009 0.000 2.497 380 Y HA 0.159 4.709 4.550 0.000 0.000 0.292 380 Y C 2.163 178.073 175.900 0.016 0.000 1.137 380 Y CA 0.055 58.165 58.100 0.017 0.000 1.285 380 Y CB -0.782 37.688 38.460 0.016 0.000 0.991 380 Y HN 0.257 nan 8.280 nan 0.000 0.556 381 M N -1.360 118.310 119.600 0.116 0.000 2.558 381 M HA -0.027 4.453 4.480 0.000 0.000 0.255 381 M C 1.536 177.870 176.300 0.056 0.000 1.113 381 M CA 1.064 56.408 55.300 0.075 0.000 1.097 381 M CB -0.100 32.521 32.600 0.034 0.000 1.426 381 M HN 0.275 nan 8.290 nan 0.000 0.488 382 I N 0.343 120.943 120.570 0.051 0.000 2.385 382 I HA -0.193 3.978 4.170 0.000 0.000 0.244 382 I C 2.503 178.662 176.117 0.070 0.000 1.089 382 I CA 0.845 62.169 61.300 0.040 0.000 1.410 382 I CB -0.216 37.795 38.000 0.018 0.000 1.117 382 I HN 0.281 nan 8.210 nan 0.000 0.429 383 R N 1.604 122.163 120.500 0.099 0.000 2.276 383 R HA 0.150 4.490 4.340 0.000 0.000 0.203 383 R C 1.460 177.832 176.300 0.119 0.000 1.017 383 R CA 0.998 57.168 56.100 0.117 0.000 1.010 383 R CB -0.221 30.160 30.300 0.135 0.000 0.900 383 R HN 0.238 nan 8.270 nan 0.000 0.469 384 A N 1.268 124.158 122.820 0.116 0.000 2.387 384 A HA 0.199 4.519 4.320 0.000 0.000 0.234 384 A C 0.839 178.477 177.584 0.090 0.000 1.253 384 A CA -0.285 51.813 52.037 0.101 0.000 0.894 384 A CB -0.221 18.837 19.000 0.097 0.000 0.963 384 A HN 0.582 nan 8.150 nan 0.000 0.508 385 C N -2.227 117.123 119.300 0.084 0.000 2.335 385 C HA 0.766 5.226 4.460 0.000 0.000 0.363 385 C C -2.740 172.294 174.990 0.073 0.000 1.198 385 C CA -2.444 56.617 59.018 0.071 0.000 2.279 385 C CB 0.885 28.658 27.740 0.055 0.000 2.334 385 C HN 0.233 nan 8.230 nan 0.000 0.559 386 P HA 0.291 nan 4.420 nan 0.000 0.270 386 P C -2.368 174.964 177.300 0.054 0.000 1.223 386 P CA -0.499 62.628 63.100 0.045 0.000 0.785 386 P CB 0.029 31.735 31.700 0.010 0.000 0.923 387 P HA 0.064 nan 4.420 nan 0.000 0.276 387 P C -0.440 176.900 177.300 0.066 0.000 1.244 387 P CA -0.180 62.968 63.100 0.080 0.000 0.801 387 P CB 0.590 32.346 31.700 0.093 0.000 1.006 388 S N 0.721 116.463 115.700 0.070 0.000 2.600 388 S HA 0.284 4.754 4.470 0.000 0.000 0.265 388 S C 1.631 176.271 174.600 0.067 0.000 1.325 388 S CA -0.003 58.230 58.200 0.055 0.000 1.002 388 S CB 0.195 63.423 63.200 0.047 0.000 0.921 388 S HN 0.571 nan 8.310 nan 0.000 0.554 389 A N 2.173 125.027 122.820 0.056 0.000 1.892 389 A HA -0.194 4.127 4.320 0.000 0.000 0.218 389 A C 2.131 179.760 177.584 0.075 0.000 1.188 389 A CA 1.801 53.875 52.037 0.062 0.000 0.631 389 A CB -1.278 17.751 19.000 0.049 0.000 0.822 389 A HN 0.915 nan 8.150 nan 0.000 0.447 390 N N 0.261 119.004 118.700 0.073 0.000 2.104 390 N HA -0.163 4.577 4.740 0.000 0.000 0.190 390 N C 1.060 176.656 175.510 0.144 0.000 1.024 390 N CA 1.626 54.728 53.050 0.086 0.000 0.853 390 N CB -0.499 38.022 38.487 0.056 0.000 1.008 390 N HN 0.439 nan 8.380 nan 0.000 0.424 391 D N 0.971 121.466 120.400 0.159 0.000 2.183 391 D HA 0.044 4.685 4.640 0.000 0.000 0.203 391 D C 1.902 178.337 176.300 0.224 0.000 0.969 391 D CA 0.567 54.721 54.000 0.257 0.000 0.842 391 D CB -0.056 40.889 40.800 0.241 0.000 0.957 391 D HN 0.200 nan 8.370 nan 0.000 0.484 392 A N 1.642 124.541 122.820 0.132 0.000 1.865 392 A HA -0.153 4.167 4.320 0.000 0.000 0.217 392 A C 2.167 179.792 177.584 0.068 0.000 1.191 392 A CA 0.951 53.029 52.037 0.069 0.000 0.623 392 A CB -0.863 18.171 19.000 0.056 0.000 0.826 392 A HN 0.299 nan 8.150 nan 0.000 0.444 393 L N -1.035 120.251 121.223 0.104 0.000 2.013 393 L HA -0.208 4.132 4.340 0.000 0.000 0.212 393 L C 2.288 179.273 176.870 0.191 0.000 1.073 393 L CA 2.670 57.578 54.840 0.113 0.000 0.753 393 L CB -1.153 40.981 42.059 0.125 0.000 0.890 393 L HN 0.544 nan 8.230 nan 0.000 0.432 394 F N 0.287 120.287 119.950 0.084 0.000 2.069 394 F HA -0.352 4.175 4.527 0.000 0.000 0.298 394 F C 2.781 178.635 175.800 0.090 0.000 1.113 394 F CA 2.004 60.091 58.000 0.145 0.000 1.214 394 F CB -0.217 38.898 39.000 0.191 0.000 0.978 394 F HN 0.232 nan 8.300 nan 0.000 0.474 395 C N 0.516 119.797 119.300 -0.032 0.000 2.413 395 C HA -0.197 4.263 4.460 0.000 0.000 0.276 395 C C 3.111 177.930 174.990 -0.285 0.000 1.248 395 C CA 1.142 59.970 59.018 -0.316 0.000 1.742 395 C CB -1.784 25.740 27.740 -0.361 0.000 2.017 395 C HN 0.663 nan 8.230 nan 0.000 0.481 396 A N 0.241 122.954 122.820 -0.178 0.000 1.902 396 A HA -0.192 4.128 4.320 0.000 0.000 0.217 396 A C 2.190 179.656 177.584 -0.197 0.000 1.181 396 A CA 2.592 54.517 52.037 -0.186 0.000 0.623 396 A CB -1.109 17.810 19.000 -0.135 0.000 0.818 396 A HN 0.587 nan 8.150 nan 0.000 0.443 397 T N 0.432 114.892 114.554 -0.156 0.000 2.708 397 T HA -0.075 4.275 4.350 0.000 0.000 0.266 397 T C 1.841 176.328 174.700 -0.355 0.000 1.037 397 T CA 1.427 63.386 62.100 -0.235 0.000 1.146 397 T CB -0.391 68.371 68.868 -0.176 0.000 0.865 397 T HN 0.351 nan 8.240 nan 0.000 0.435 398 L N 0.723 121.755 121.223 -0.318 0.000 2.012 398 L HA -0.135 4.205 4.340 0.000 0.000 0.210 398 L C 3.063 179.784 176.870 -0.248 0.000 1.073 398 L CA 1.382 56.072 54.840 -0.251 0.000 0.748 398 L CB -0.706 41.196 42.059 -0.262 0.000 0.891 398 L HN 0.256 nan 8.230 nan 0.000 0.431 399 A N -0.626 122.012 122.820 -0.305 0.000 1.858 399 A HA -0.232 4.088 4.320 0.000 0.000 0.216 399 A C 2.355 179.702 177.584 -0.395 0.000 1.190 399 A CA 2.471 54.284 52.037 -0.374 0.000 0.617 399 A CB -1.089 17.687 19.000 -0.374 0.000 0.827 399 A HN 0.374 nan 8.150 nan 0.000 0.443 400 T N 0.389 114.750 114.554 -0.323 0.000 2.699 400 T HA -0.121 4.229 4.350 0.000 0.000 0.268 400 T C 1.731 176.251 174.700 -0.299 0.000 1.036 400 T CA 1.588 63.499 62.100 -0.314 0.000 1.147 400 T CB -0.377 68.365 68.868 -0.210 0.000 0.862 400 T HN 0.358 nan 8.240 nan 0.000 0.446 401 L N 0.313 121.414 121.223 -0.203 0.000 2.217 401 L HA 0.040 4.380 4.340 0.000 0.000 0.211 401 L C 2.941 179.723 176.870 -0.147 0.000 1.107 401 L CA 0.698 55.494 54.840 -0.074 0.000 0.783 401 L CB -0.576 41.422 42.059 -0.101 0.000 0.919 401 L HN 0.235 nan 8.230 nan 0.000 0.442 402 A N -0.027 122.598 122.820 -0.325 0.000 1.877 402 A HA -0.155 4.165 4.320 0.000 0.000 0.216 402 A C 2.289 179.527 177.584 -0.576 0.000 1.186 402 A CA 1.761 53.389 52.037 -0.681 0.000 0.620 402 A CB -0.772 17.845 19.000 -0.637 0.000 0.822 402 A HN 0.179 nan 8.150 nan 0.000 0.443 403 V N -0.242 119.412 119.914 -0.432 0.000 2.490 403 V HA -0.229 3.891 4.120 0.000 0.000 0.250 403 V C 2.438 178.445 176.094 -0.145 0.000 1.061 403 V CA 2.012 64.189 62.300 -0.204 0.000 1.064 403 V CB -1.078 30.568 31.823 -0.295 0.000 0.670 403 V HN 0.626 nan 8.190 nan 0.000 0.461 404 H N 0.031 119.077 119.070 -0.040 0.000 2.357 404 H HA -0.050 4.506 4.556 0.000 0.000 0.301 404 H C 2.439 177.787 175.328 0.032 0.000 1.082 404 H CA 1.483 57.564 56.048 0.055 0.000 1.342 404 H CB 0.030 29.839 29.762 0.078 0.000 1.389 404 H HN 0.425 nan 8.280 nan 0.000 0.511 405 E N 0.360 120.642 120.200 0.136 0.000 2.158 405 E HA 0.012 4.362 4.350 0.000 0.000 0.191 405 E C 2.344 179.062 176.600 0.198 0.000 0.982 405 E CA 0.673 57.184 56.400 0.185 0.000 0.823 405 E CB -0.051 29.831 29.700 0.302 0.000 0.766 405 E HN 0.364 nan 8.360 nan 0.000 0.468 406 A N 1.402 124.261 122.820 0.065 0.000 1.873 406 A HA -0.129 4.191 4.320 0.000 0.000 0.215 406 A C 2.171 179.885 177.584 0.217 0.000 1.186 406 A CA 1.203 53.329 52.037 0.148 0.000 0.616 406 A CB -0.348 18.617 19.000 -0.059 0.000 0.823 406 A HN 0.105 nan 8.150 nan 0.000 0.442 407 M N -0.193 119.459 119.600 0.087 0.000 2.267 407 M HA -0.118 4.362 4.480 0.000 0.000 0.263 407 M C 1.930 178.382 176.300 0.253 0.000 1.063 407 M CA 1.399 56.764 55.300 0.108 0.000 1.090 407 M CB -1.303 31.052 32.600 -0.408 0.000 1.392 407 M HN 0.462 nan 8.290 nan 0.000 0.422 408 A N -0.938 121.994 122.820 0.186 0.000 2.411 408 A HA 0.481 4.801 4.320 0.000 0.000 0.251 408 A C 1.587 179.252 177.584 0.134 0.000 1.317 408 A CA 0.685 52.822 52.037 0.167 0.000 0.904 408 A CB -0.894 18.190 19.000 0.140 0.000 0.993 408 A HN 0.652 nan 8.150 nan 0.000 0.504 409 G N -1.290 107.598 108.800 0.146 0.000 2.241 409 G HA2 0.015 3.975 3.960 0.000 0.000 0.244 409 G HA3 0.015 3.975 3.960 0.000 0.000 0.244 409 G C 0.677 175.590 174.900 0.023 0.000 0.998 409 G CA 0.155 45.221 45.100 -0.057 0.000 0.621 409 G HN 1.781 nan 8.290 nan 0.000 0.519 410 A N -0.015 122.892 122.820 0.145 0.000 2.565 410 A HA 0.581 4.901 4.320 0.000 0.000 0.237 410 A C 0.636 178.329 177.584 0.181 0.000 1.053 410 A CA 2.071 54.214 52.037 0.176 0.000 0.755 410 A CB 0.328 19.527 19.000 0.332 0.000 0.980 410 A HN 1.678 nan 8.150 nan 0.000 0.506 411 T N 0.146 114.726 114.554 0.043 0.000 2.853 411 T HA 0.551 4.901 4.350 0.000 0.000 0.311 411 T C 0.632 175.279 174.700 -0.089 0.000 1.307 411 T CA 0.815 62.913 62.100 -0.004 0.000 1.019 411 T CB 0.884 69.756 68.868 0.006 0.000 1.264 411 T HN 2.510 nan 8.240 nan 0.000 0.497 412 G N 0.905 109.640 108.800 -0.108 0.000 2.166 412 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 412 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 412 G C 0.636 175.432 174.900 -0.173 0.000 0.986 412 G CA 0.706 45.736 45.100 -0.115 0.000 0.683 412 G HN 1.701 nan 8.290 nan 0.000 0.527 413 C N -0.999 118.118 119.300 -0.304 0.000 2.973 413 C HA 0.957 5.417 4.460 0.000 0.000 0.329 413 C C 0.346 174.987 174.990 -0.582 0.000 1.327 413 C CA -1.207 57.586 59.018 -0.375 0.000 1.632 413 C CB 1.565 29.093 27.740 -0.352 0.000 2.098 413 C HN 1.175 nan 8.230 nan 0.000 0.469 414 I N -0.835 119.496 120.570 -0.398 0.000 2.892 414 I HA 0.765 4.936 4.170 0.000 0.000 0.306 414 I C -0.872 175.211 176.117 -0.058 0.000 1.078 414 I CA -0.825 60.327 61.300 -0.247 0.000 1.032 414 I CB 1.652 39.629 38.000 -0.038 0.000 1.229 414 I HN 0.783 nan 8.210 nan 0.000 0.435 415 I N 3.661 124.380 120.570 0.248 0.000 2.440 415 I HA 0.818 4.988 4.170 0.000 0.000 0.294 415 I C -0.105 176.160 176.117 0.248 0.000 0.995 415 I CA 0.231 61.743 61.300 0.353 0.000 1.306 415 I CB 1.215 39.493 38.000 0.463 0.000 1.407 415 I HN 0.946 nan 8.210 nan 0.000 0.501 416 A N 7.522 130.492 122.820 0.250 0.000 2.602 416 A HA 0.721 5.041 4.320 0.000 0.000 0.290 416 A C -1.357 176.342 177.584 0.191 0.000 1.114 416 A CA -0.763 51.398 52.037 0.206 0.000 0.683 416 A CB 1.638 20.723 19.000 0.141 0.000 1.281 416 A HN 0.656 nan 8.150 nan 0.000 0.416 417 M N 1.410 121.078 119.600 0.114 0.000 2.190 417 M HA 0.513 4.993 4.480 0.000 0.000 0.312 417 M C -0.912 175.294 176.300 -0.155 0.000 0.990 417 M CA -0.270 54.979 55.300 -0.084 0.000 0.927 417 M CB 1.342 33.929 32.600 -0.023 0.000 1.571 417 M HN 0.842 nan 8.290 nan 0.000 0.427 418 R N 3.191 123.558 120.500 -0.221 0.000 2.564 418 R HA 0.314 4.654 4.340 0.000 0.000 0.284 418 R C -0.697 175.463 176.300 -0.233 0.000 1.031 418 R CA -0.229 55.600 56.100 -0.453 0.000 0.904 418 R CB 0.935 30.977 30.300 -0.431 0.000 1.199 418 R HN 0.896 nan 8.270 nan 0.000 0.443 419 H N 2.345 121.364 119.070 -0.084 0.000 2.741 419 H HA -0.219 4.337 4.556 0.000 0.000 0.305 419 H C 0.196 175.525 175.328 0.001 0.000 1.169 419 H CA 1.319 57.399 56.048 0.054 0.000 1.144 419 H CB -1.065 28.700 29.762 0.005 0.000 1.397 419 H HN 0.935 nan 8.280 nan 0.000 0.409 420 N N -0.885 117.844 118.700 0.048 0.000 2.828 420 N HA -0.213 4.527 4.740 0.000 0.000 0.248 420 N C -0.702 174.776 175.510 -0.054 0.000 1.044 420 N CA 1.512 54.551 53.050 -0.017 0.000 0.851 420 N CB -0.446 38.059 38.487 0.031 0.000 1.136 420 N HN 0.676 nan 8.380 nan 0.000 0.572 421 N N -1.293 117.365 118.700 -0.070 0.000 2.381 421 N HA 0.472 5.212 4.740 0.000 0.000 0.294 421 N C -1.426 173.988 175.510 -0.160 0.000 1.216 421 N CA -0.470 52.558 53.050 -0.036 0.000 0.803 421 N CB 0.615 39.148 38.487 0.077 0.000 1.372 421 N HN 0.094 nan 8.380 nan 0.000 0.500 422 Y N 0.930 121.307 120.300 0.129 0.000 2.326 422 Y HA 0.521 5.071 4.550 0.000 0.000 0.337 422 Y C 0.169 176.148 175.900 0.133 0.000 1.023 422 Y CA -0.663 57.521 58.100 0.140 0.000 1.143 422 Y CB 0.599 39.142 38.460 0.139 0.000 1.183 422 Y HN 0.322 nan 8.280 nan 0.000 0.485 423 I N 0.766 121.489 120.570 0.255 0.000 2.934 423 I HA 0.633 4.803 4.170 0.000 0.000 0.306 423 I C -1.575 174.664 176.117 0.203 0.000 1.110 423 I CA -1.244 60.181 61.300 0.209 0.000 1.019 423 I CB 2.317 40.419 38.000 0.170 0.000 1.227 423 I HN 0.339 nan 8.210 nan 0.000 0.434 424 L N 4.084 125.409 121.223 0.171 0.000 2.309 424 L HA 0.719 5.059 4.340 0.000 0.000 0.282 424 L C -0.828 176.068 176.870 0.043 0.000 1.036 424 L CA -1.016 53.898 54.840 0.123 0.000 0.806 424 L CB 1.864 44.002 42.059 0.132 0.000 1.220 424 L HN 0.421 nan 8.230 nan 0.000 0.429 425 V N 3.313 123.205 119.914 -0.036 0.000 2.623 425 V HA 0.329 4.449 4.120 0.000 0.000 0.304 425 V C -2.373 173.622 176.094 -0.165 0.000 1.054 425 V CA -1.726 60.502 62.300 -0.120 0.000 0.882 425 V CB 2.145 33.884 31.823 -0.140 0.000 1.002 425 V HN 0.584 nan 8.190 nan 0.000 0.424 426 P HA 0.270 nan 4.420 nan 0.000 0.267 426 P C 1.119 178.322 177.300 -0.162 0.000 1.200 426 P CA 0.110 63.112 63.100 -0.163 0.000 0.772 426 P CB 0.811 32.423 31.700 -0.147 0.000 0.855 427 I N 1.726 122.218 120.570 -0.130 0.000 2.208 427 I HA -0.285 3.885 4.170 0.000 0.000 0.245 427 I C 2.033 178.104 176.117 -0.078 0.000 1.097 427 I CA 1.706 62.951 61.300 -0.092 0.000 1.363 427 I CB -0.471 37.488 38.000 -0.067 0.000 1.051 427 I HN 0.460 nan 8.210 nan 0.000 0.413 428 K N 0.257 120.608 120.400 -0.081 0.000 2.152 428 K HA -0.156 4.164 4.320 0.000 0.000 0.206 428 K C 1.992 178.544 176.600 -0.080 0.000 1.048 428 K CA 1.198 57.445 56.287 -0.067 0.000 0.933 428 K CB -0.064 32.397 32.500 -0.065 0.000 0.721 428 K HN 0.212 nan 8.250 nan 0.000 0.447 429 V N 0.546 120.372 119.914 -0.146 0.000 2.379 429 V HA -0.121 3.999 4.120 0.000 0.000 0.243 429 V C 2.223 178.224 176.094 -0.155 0.000 1.035 429 V CA 1.726 63.897 62.300 -0.215 0.000 1.035 429 V CB -0.392 31.155 31.823 -0.460 0.000 0.673 429 V HN 0.302 nan 8.190 nan 0.000 0.457 430 A N 0.878 123.601 122.820 -0.162 0.000 1.940 430 A HA -0.224 4.096 4.320 0.000 0.000 0.219 430 A C 2.253 179.875 177.584 0.063 0.000 1.176 430 A CA 2.468 54.498 52.037 -0.011 0.000 0.631 430 A CB -0.848 18.136 19.000 -0.026 0.000 0.814 430 A HN 0.638 nan 8.150 nan 0.000 0.446 431 T N -4.172 110.399 114.554 0.028 0.000 3.144 431 T HA 0.225 4.575 4.350 0.000 0.000 0.249 431 T C 1.366 176.100 174.700 0.056 0.000 1.089 431 T CA 0.863 62.992 62.100 0.048 0.000 0.989 431 T CB 0.310 69.198 68.868 0.034 0.000 0.992 431 T HN 0.180 nan 8.240 nan 0.000 0.540 432 S N 0.791 116.526 115.700 0.059 0.000 2.470 432 S HA 0.314 4.784 4.470 0.000 0.000 0.222 432 S C 0.795 175.442 174.600 0.078 0.000 1.024 432 S CA 0.105 58.340 58.200 0.058 0.000 0.931 432 S CB 0.170 63.396 63.200 0.043 0.000 0.791 432 S HN 0.682 nan 8.310 nan 0.000 0.513 433 V N 0.647 120.634 119.914 0.121 0.000 3.040 433 V HA 0.820 4.940 4.120 0.000 0.000 0.312 433 V C -0.975 175.183 176.094 0.107 0.000 1.115 433 V CA -1.503 60.862 62.300 0.109 0.000 0.998 433 V CB 1.998 33.903 31.823 0.137 0.000 1.042 433 V HN 0.371 nan 8.190 nan 0.000 0.433 434 R N 1.079 121.623 120.500 0.073 0.000 2.771 434 R HA 0.684 5.024 4.340 0.000 0.000 0.274 434 R C -0.937 175.409 176.300 0.077 0.000 0.987 434 R CA -1.009 55.139 56.100 0.081 0.000 0.908 434 R CB 2.167 32.519 30.300 0.086 0.000 1.213 434 R HN 0.721 nan 8.270 nan 0.000 0.468 435 R N 1.066 121.630 120.500 0.107 0.000 2.490 435 R HA 0.525 4.866 4.340 0.000 0.000 0.278 435 R C -0.699 175.786 176.300 0.309 0.000 1.069 435 R CA -0.674 55.531 56.100 0.175 0.000 1.080 435 R CB 1.766 32.129 30.300 0.105 0.000 1.030 435 R HN 0.401 nan 8.270 nan 0.000 0.491 436 V N 3.146 123.220 119.914 0.266 0.000 3.188 436 V HA 0.302 4.422 4.120 0.000 0.000 0.305 436 V C -0.599 175.360 176.094 -0.226 0.000 1.232 436 V CA -0.933 61.345 62.300 -0.037 0.000 1.043 436 V CB 2.632 34.408 31.823 -0.078 0.000 1.068 436 V HN 0.580 nan 8.190 nan 0.000 0.439 437 L N 2.794 123.626 121.223 -0.653 0.000 2.485 437 L HA 0.256 4.596 4.340 0.000 0.000 0.275 437 L C 0.033 176.753 176.870 -0.250 0.000 1.207 437 L CA 0.335 54.856 54.840 -0.531 0.000 0.855 437 L CB 0.318 41.998 42.059 -0.631 0.000 1.114 437 L HN 0.617 nan 8.230 nan 0.000 0.485 438 D N 3.552 123.889 120.400 -0.105 0.000 2.443 438 D HA 0.148 4.788 4.640 0.000 0.000 0.221 438 D C 0.913 177.180 176.300 -0.053 0.000 1.097 438 D CA -0.311 53.654 54.000 -0.058 0.000 0.865 438 D CB 1.077 41.887 40.800 0.017 0.000 1.034 438 D HN 0.401 nan 8.370 nan 0.000 0.511 439 L N 2.923 124.048 121.223 -0.163 0.000 2.651 439 L HA -0.070 4.270 4.340 0.000 0.000 0.236 439 L C 1.690 178.662 176.870 0.169 0.000 1.173 439 L CA 0.759 55.513 54.840 -0.144 0.000 0.843 439 L CB -0.154 41.758 42.059 -0.245 0.000 0.964 439 L HN 0.209 nan 8.230 nan 0.000 0.454 440 R N -0.875 119.690 120.500 0.108 0.000 2.549 440 R HA 0.200 4.540 4.340 0.000 0.000 0.344 440 R C 0.926 177.285 176.300 0.099 0.000 0.979 440 R CA -0.039 56.128 56.100 0.111 0.000 1.140 440 R CB 0.919 31.256 30.300 0.062 0.000 1.377 440 R HN 0.222 nan 8.270 nan 0.000 0.541 441 G N 0.319 109.189 108.800 0.116 0.000 2.588 441 G HA2 -0.042 3.918 3.960 0.000 0.000 0.281 441 G HA3 -0.042 3.918 3.960 0.000 0.000 0.281 441 G C 0.373 175.333 174.900 0.102 0.000 1.236 441 G CA -0.259 44.898 45.100 0.094 0.000 0.969 441 G HN 0.023 nan 8.290 nan 0.000 0.504 442 Q N -1.000 118.843 119.800 0.070 0.000 2.311 442 Q HA 0.091 4.432 4.340 0.000 0.000 0.203 442 Q C 2.281 178.319 176.000 0.062 0.000 0.954 442 Q CA 0.747 56.581 55.803 0.051 0.000 0.885 442 Q CB -0.235 28.519 28.738 0.027 0.000 0.963 442 Q HN 0.550 nan 8.270 nan 0.000 0.471 443 L N -0.907 120.379 121.223 0.105 0.000 1.973 443 L HA -0.162 4.178 4.340 0.000 0.000 0.208 443 L C 2.062 179.016 176.870 0.140 0.000 1.073 443 L CA 1.576 56.493 54.840 0.129 0.000 0.746 443 L CB -0.558 41.619 42.059 0.196 0.000 0.891 443 L HN 0.551 nan 8.230 nan 0.000 0.433 444 W N 1.034 122.340 121.300 0.011 0.000 2.350 444 W HA -0.246 4.414 4.660 0.000 0.000 0.289 444 W C 2.491 179.007 176.519 -0.005 0.000 1.215 444 W CA 1.282 58.624 57.345 -0.005 0.000 1.236 444 W CB -0.078 29.371 29.460 -0.018 0.000 1.130 444 W HN 0.224 nan 8.180 nan 0.000 0.541 445 R N 0.021 120.522 120.500 0.001 0.000 2.096 445 R HA -0.202 4.139 4.340 0.000 0.000 0.235 445 R C 2.379 178.582 176.300 -0.161 0.000 1.127 445 R CA 1.896 57.947 56.100 -0.081 0.000 0.968 445 R CB -0.541 29.760 30.300 0.001 0.000 0.861 445 R HN 0.315 nan 8.270 nan 0.000 0.440 446 Q N -0.305 119.419 119.800 -0.128 0.000 2.119 446 Q HA -0.115 4.225 4.340 0.000 0.000 0.201 446 Q C 2.232 178.102 176.000 -0.218 0.000 0.972 446 Q CA 1.571 57.296 55.803 -0.130 0.000 0.847 446 Q CB -0.020 28.676 28.738 -0.071 0.000 0.903 446 Q HN 0.296 nan 8.270 nan 0.000 0.433 447 V N -0.308 119.395 119.914 -0.351 0.000 2.667 447 V HA -0.197 3.924 4.120 0.000 0.000 0.252 447 V C 1.955 177.732 176.094 -0.527 0.000 1.065 447 V CA 1.427 63.451 62.300 -0.459 0.000 1.083 447 V CB -0.235 31.223 31.823 -0.607 0.000 0.692 447 V HN 0.211 nan 8.190 nan 0.000 0.468 448 R N 0.003 120.131 120.500 -0.619 0.000 2.081 448 R HA -0.164 4.176 4.340 0.000 0.000 0.235 448 R C 2.383 178.544 176.300 -0.231 0.000 1.131 448 R CA 1.938 57.779 56.100 -0.431 0.000 0.960 448 R CB -0.325 29.763 30.300 -0.354 0.000 0.856 448 R HN 0.669 nan 8.270 nan 0.000 0.436 449 E N 0.793 120.879 120.200 -0.190 0.000 2.106 449 E HA -0.128 4.222 4.350 0.000 0.000 0.192 449 E C 1.629 178.168 176.600 -0.102 0.000 0.984 449 E CA 1.290 57.619 56.400 -0.117 0.000 0.806 449 E CB -0.083 29.561 29.700 -0.094 0.000 0.750 449 E HN 0.317 nan 8.360 nan 0.000 0.458 450 I N 0.501 120.995 120.570 -0.126 0.000 2.353 450 I HA -0.108 4.063 4.170 0.000 0.000 0.248 450 I C 1.158 177.226 176.117 -0.082 0.000 1.119 450 I CA 0.990 62.233 61.300 -0.095 0.000 1.417 450 I CB -0.516 37.420 38.000 -0.106 0.000 1.078 450 I HN 0.152 nan 8.210 nan 0.000 0.421 451 T N -0.669 113.813 114.554 -0.121 0.000 2.849 451 T HA 0.363 4.713 4.350 0.000 0.000 0.284 451 T C 0.144 174.812 174.700 -0.053 0.000 1.004 451 T CA -0.742 61.303 62.100 -0.092 0.000 1.021 451 T CB 1.398 70.184 68.868 -0.137 0.000 1.013 451 T HN -0.121 nan 8.240 nan 0.000 0.527 452 V N 2.046 121.947 119.914 -0.020 0.000 2.763 452 V HA 0.165 4.285 4.120 0.000 0.000 0.306 452 V C 0.130 176.218 176.094 -0.009 0.000 1.059 452 V CA -0.024 62.283 62.300 0.012 0.000 1.138 452 V CB 0.157 32.003 31.823 0.038 0.000 0.940 452 V HN 0.907 nan 8.190 nan 0.000 0.489 453 D N 2.576 122.972 120.400 -0.007 0.000 2.248 453 D HA 0.463 5.103 4.640 0.000 0.000 0.246 453 D C 0.820 177.123 176.300 0.005 0.000 1.027 453 D CA -0.627 53.368 54.000 -0.008 0.000 0.853 453 D CB 1.852 42.641 40.800 -0.018 0.000 1.243 453 D HN 0.278 nan 8.370 nan 0.000 0.462 454 L N 0.961 122.192 121.223 0.013 0.000 1.976 454 L HA 0.044 4.384 4.340 0.000 0.000 0.209 454 L C 1.662 178.541 176.870 0.015 0.000 1.071 454 L CA 1.350 56.202 54.840 0.019 0.000 0.746 454 L CB -0.541 41.534 42.059 0.026 0.000 0.890 454 L HN 0.462 nan 8.230 nan 0.000 0.432 455 G N 0.000 108.807 108.800 0.012 0.000 5.446 455 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 455 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 455 G CA 0.000 45.105 45.100 0.008 0.000 0.502 455 G HN 0.000 nan 8.290 nan 0.000 0.925