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 1w4x_1_A DATA FIRST_RESID 10 DATA SEQUENCE RRQPPEEVDV LVVGAGFSGL YALYRLRELG RSVHVIETAG DVGGVWYWNR DATA SEQUENCE YPGARCDIES IEYCYSFSEE VLQEWNWTER YASQPEILRY INFVADKFDL DATA SEQUENCE RSGITFHTTV TAAAFDEATN TWTVDTNHGD RIRARYLIMA SGQLSVPQLP DATA SEQUENCE NFPGLKDFAG NLYHTGNWPH EPVDFSGQRV GVIGTGSSGI QVSPQIAKQA DATA SEQUENCE AELFVFQRTP HFAVPARNAP LDPEFLADLK KRYAEFREES RNTPGGTHRY DATA SEQUENCE QGPKSALEVS DEELVETLER YWQEGGPDIL AAYRDILRDR DANERVAEFI DATA SEQUENCE RNKIRNTVRD PEVAERLVPK GYPFGTKRLI LEIDYYEMFN RDNVHLVDTL DATA SEQUENCE SAPIETITPR GVRTSEREYE LDSLVLATGF DALTGALFKI DIRGVGNVAL DATA SEQUENCE KEKWAAGPRT YLGLSTAGFP NLFFIAGPGS PSALSNMLVS IEQHVEWVTD DATA SEQUENCE HIAYMFKNGL TRSEAVLEKE DEWVEHVNEI ADETLYPMTA SWYTGANVPG DATA SEQUENCE KPRVFMLYVG GFHRYRQICD EVAAKGYEGF VLT 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.362 176.300 0.104 0.000 0.893 10 R CA 0.000 56.160 56.100 0.100 0.000 0.921 10 R CB 0.000 30.363 30.300 0.106 0.000 0.687 11 R N 2.992 123.577 120.500 0.142 0.000 2.351 11 R HA 0.089 4.429 4.340 -0.000 0.000 0.318 11 R C -0.698 175.669 176.300 0.111 0.000 1.055 11 R CA 0.040 56.215 56.100 0.126 0.000 0.968 11 R CB 0.660 31.055 30.300 0.158 0.000 0.974 11 R HN 0.081 nan 8.270 nan 0.000 0.439 12 Q N 5.768 125.603 119.800 0.058 0.000 2.313 12 Q HA 0.192 4.532 4.340 -0.000 0.000 0.266 12 Q C -2.032 173.929 176.000 -0.064 0.000 0.989 12 Q CA -1.802 54.013 55.803 0.019 0.000 0.890 12 Q CB 1.078 29.816 28.738 0.000 0.000 1.200 12 Q HN 0.571 nan 8.270 nan 0.000 0.396 13 P HA 0.201 nan 4.420 nan 0.000 0.275 13 P C -2.360 174.784 177.300 -0.260 0.000 1.227 13 P CA -1.243 61.685 63.100 -0.287 0.000 0.781 13 P CB -0.093 31.581 31.700 -0.044 0.000 0.906 14 P HA 0.096 nan 4.420 nan 0.000 0.270 14 P C 0.532 177.777 177.300 -0.091 0.000 1.223 14 P CA 0.132 63.121 63.100 -0.184 0.000 0.785 14 P CB 1.111 32.706 31.700 -0.175 0.000 0.923 15 E N -0.144 120.023 120.200 -0.054 0.000 2.250 15 E HA -0.009 4.340 4.350 -0.000 0.000 0.192 15 E C 0.083 176.675 176.600 -0.012 0.000 0.986 15 E CA 0.741 57.126 56.400 -0.025 0.000 0.849 15 E CB 0.331 30.020 29.700 -0.020 0.000 0.797 15 E HN 0.566 nan 8.360 nan 0.000 0.482 16 E N 0.310 120.502 120.200 -0.015 0.000 2.308 16 E HA 0.480 4.830 4.350 -0.000 0.000 0.275 16 E C -1.708 174.898 176.600 0.009 0.000 0.890 16 E CA -0.468 55.935 56.400 0.004 0.000 0.754 16 E CB 3.273 32.975 29.700 0.004 0.000 1.207 16 E HN -0.176 nan 8.360 nan 0.000 0.426 17 V N 2.447 122.384 119.914 0.038 0.000 3.120 17 V HA 0.098 4.217 4.120 -0.000 0.000 0.303 17 V C -0.528 175.625 176.094 0.098 0.000 1.238 17 V CA -0.453 61.878 62.300 0.051 0.000 1.008 17 V CB 2.293 34.149 31.823 0.054 0.000 1.064 17 V HN 0.712 nan 8.190 nan 0.000 0.434 18 D N 1.934 122.393 120.400 0.099 0.000 2.097 18 D HA 0.002 4.642 4.640 -0.000 0.000 0.195 18 D C 0.330 176.805 176.300 0.291 0.000 0.989 18 D CA 1.864 55.989 54.000 0.208 0.000 0.827 18 D CB 0.162 40.989 40.800 0.045 0.000 0.966 18 D HN 0.324 nan 8.370 nan 0.000 0.456 19 V N 1.009 121.036 119.914 0.189 0.000 2.623 19 V HA 0.306 4.426 4.120 -0.000 0.000 0.304 19 V C -0.707 175.466 176.094 0.131 0.000 1.054 19 V CA -0.984 61.437 62.300 0.203 0.000 0.882 19 V CB 2.501 34.413 31.823 0.148 0.000 1.002 19 V HN -0.088 nan 8.190 nan 0.000 0.424 20 L N 5.702 127.000 121.223 0.127 0.000 2.282 20 L HA 0.737 5.077 4.340 -0.000 0.000 0.288 20 L C -0.444 176.456 176.870 0.050 0.000 1.033 20 L CA 0.052 54.945 54.840 0.088 0.000 0.807 20 L CB 1.730 43.840 42.059 0.084 0.000 1.209 20 L HN 0.493 nan 8.230 nan 0.000 0.423 21 V N 5.588 125.517 119.914 0.026 0.000 2.435 21 V HA 0.470 4.590 4.120 -0.000 0.000 0.290 21 V C -0.398 175.693 176.094 -0.006 0.000 1.030 21 V CA -0.763 61.542 62.300 0.008 0.000 0.881 21 V CB 1.812 33.633 31.823 -0.003 0.000 0.983 21 V HN 0.479 nan 8.190 nan 0.000 0.445 22 V N 3.832 123.749 119.914 0.005 0.000 2.328 22 V HA 0.891 5.011 4.120 -0.000 0.000 0.278 22 V C 0.517 176.629 176.094 0.031 0.000 1.021 22 V CA 0.298 62.602 62.300 0.006 0.000 0.838 22 V CB 0.618 32.444 31.823 0.006 0.000 0.999 22 V HN 1.321 nan 8.190 nan 0.000 0.447 23 G N 4.044 112.854 108.800 0.017 0.000 3.069 23 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 23 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 23 G C -0.285 174.647 174.900 0.054 0.000 1.161 23 G CA -0.257 44.874 45.100 0.052 0.000 0.804 23 G HN 1.481 nan 8.290 nan 0.000 0.608 24 A N 1.374 124.237 122.820 0.073 0.000 2.911 24 A HA 0.805 5.124 4.320 -0.000 0.000 0.304 24 A C 1.250 178.918 177.584 0.140 0.000 1.144 24 A CA 1.095 53.189 52.037 0.096 0.000 0.988 24 A CB -0.154 18.900 19.000 0.091 0.000 1.141 24 A HN 2.111 nan 8.150 nan 0.000 0.552 25 G N -1.185 107.711 108.800 0.159 0.000 2.509 25 G HA2 0.427 4.387 3.960 -0.000 0.000 0.269 25 G HA3 0.427 4.387 3.960 -0.000 0.000 0.269 25 G C 0.578 175.610 174.900 0.219 0.000 1.416 25 G CA -0.440 44.751 45.100 0.151 0.000 1.052 25 G HN 0.099 nan 8.290 nan 0.000 0.542 26 F N 0.297 120.403 119.950 0.259 0.000 2.120 26 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 26 F C 3.190 179.201 175.800 0.352 0.000 1.095 26 F CA 1.823 59.978 58.000 0.259 0.000 1.249 26 F CB -0.524 38.522 39.000 0.077 0.000 0.995 26 F HN 0.228 nan 8.300 nan 0.000 0.480 27 S N -0.274 115.705 115.700 0.465 0.000 2.343 27 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 27 S C 2.500 177.277 174.600 0.296 0.000 1.033 27 S CA 1.325 59.746 58.200 0.368 0.000 1.014 27 S CB -1.233 62.138 63.200 0.285 0.000 0.915 27 S HN 0.477 nan 8.310 nan 0.000 0.435 28 G N 1.578 110.515 108.800 0.228 0.000 2.422 28 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 28 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 28 G C 1.369 176.352 174.900 0.138 0.000 1.146 28 G CA 0.657 45.843 45.100 0.143 0.000 0.769 28 G HN 0.401 nan 8.290 nan 0.000 0.547 29 L N -1.047 120.303 121.223 0.211 0.000 2.046 29 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 29 L C 2.602 179.587 176.870 0.192 0.000 1.077 29 L CA 1.141 56.102 54.840 0.202 0.000 0.747 29 L CB -0.477 41.744 42.059 0.269 0.000 0.896 29 L HN 0.233 nan 8.230 nan 0.000 0.432 30 Y N 0.757 121.101 120.300 0.073 0.000 2.242 30 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 30 Y C 2.408 178.242 175.900 -0.111 0.000 1.137 30 Y CA 0.658 58.668 58.100 -0.150 0.000 1.181 30 Y CB -0.515 37.912 38.460 -0.054 0.000 0.989 30 Y HN 0.097 nan 8.280 nan 0.000 0.527 31 A N 0.302 123.078 122.820 -0.073 0.000 1.877 31 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 31 A C 2.245 179.736 177.584 -0.155 0.000 1.186 31 A CA 1.742 53.676 52.037 -0.171 0.000 0.620 31 A CB -1.318 17.650 19.000 -0.054 0.000 0.822 31 A HN 0.489 nan 8.150 nan 0.000 0.443 32 L N -1.339 119.845 121.223 -0.066 0.000 1.990 32 L HA -0.219 4.120 4.340 -0.000 0.000 0.213 32 L C 2.333 179.148 176.870 -0.091 0.000 1.072 32 L CA 2.800 57.602 54.840 -0.062 0.000 0.755 32 L CB -1.171 40.875 42.059 -0.022 0.000 0.889 32 L HN 0.529 nan 8.230 nan 0.000 0.432 33 Y N 0.243 120.419 120.300 -0.206 0.000 2.128 33 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 33 Y C 2.923 178.618 175.900 -0.341 0.000 1.154 33 Y CA 2.371 60.299 58.100 -0.287 0.000 1.149 33 Y CB -0.286 37.929 38.460 -0.409 0.000 0.976 33 Y HN 0.209 nan 8.280 nan 0.000 0.505 34 R N -0.146 120.108 120.500 -0.411 0.000 2.092 34 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 34 R C 2.242 178.300 176.300 -0.403 0.000 1.119 34 R CA 1.518 57.318 56.100 -0.501 0.000 0.970 34 R CB -0.346 29.588 30.300 -0.608 0.000 0.864 34 R HN 0.439 nan 8.270 nan 0.000 0.440 35 L N -0.125 120.905 121.223 -0.321 0.000 2.141 35 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 35 L C 2.559 179.275 176.870 -0.257 0.000 1.094 35 L CA 1.257 55.943 54.840 -0.256 0.000 0.763 35 L CB -0.274 41.673 42.059 -0.187 0.000 0.908 35 L HN 0.163 nan 8.230 nan 0.000 0.437 36 R N -0.010 120.324 120.500 -0.277 0.000 2.070 36 R HA -0.182 4.157 4.340 -0.000 0.000 0.233 36 R C 2.172 178.289 176.300 -0.305 0.000 1.137 36 R CA 1.576 57.518 56.100 -0.262 0.000 0.945 36 R CB -0.308 29.839 30.300 -0.256 0.000 0.845 36 R HN 0.408 nan 8.270 nan 0.000 0.430 37 E N 0.478 120.417 120.200 -0.436 0.000 2.160 37 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 37 E C 1.695 178.137 176.600 -0.264 0.000 0.991 37 E CA 0.899 57.065 56.400 -0.391 0.000 0.810 37 E CB -0.009 29.390 29.700 -0.503 0.000 0.742 37 E HN 0.313 nan 8.360 nan 0.000 0.466 38 L N -0.606 120.461 121.223 -0.259 0.000 2.591 38 L HA 0.116 4.455 4.340 -0.000 0.000 0.228 38 L C 1.157 177.906 176.870 -0.201 0.000 1.133 38 L CA 0.292 55.006 54.840 -0.210 0.000 0.880 38 L CB 0.238 42.168 42.059 -0.214 0.000 1.033 38 L HN 0.238 nan 8.230 nan 0.000 0.450 39 G N 0.507 109.184 108.800 -0.205 0.000 2.149 39 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.235 39 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.235 39 G C 0.126 174.885 174.900 -0.236 0.000 1.018 39 G CA -0.345 44.641 45.100 -0.190 0.000 0.728 39 G HN 0.226 nan 8.290 nan 0.000 0.508 40 R N 0.099 120.446 120.500 -0.255 0.000 2.720 40 R HA 0.658 4.998 4.340 -0.000 0.000 0.272 40 R C 0.608 176.791 176.300 -0.195 0.000 0.991 40 R CA 0.011 55.933 56.100 -0.298 0.000 1.010 40 R CB 1.424 31.530 30.300 -0.324 0.000 1.141 40 R HN 0.648 nan 8.270 nan 0.000 0.494 41 S N -0.155 115.446 115.700 -0.166 0.000 2.523 41 S HA 0.413 4.883 4.470 -0.000 0.000 0.275 41 S C -0.042 174.536 174.600 -0.036 0.000 1.281 41 S CA -0.664 57.487 58.200 -0.082 0.000 1.050 41 S CB 1.208 64.374 63.200 -0.056 0.000 0.937 41 S HN 0.397 nan 8.310 nan 0.000 0.492 42 V N 3.195 123.106 119.914 -0.006 0.000 2.817 42 V HA 0.567 4.687 4.120 -0.000 0.000 0.303 42 V C -1.900 174.245 176.094 0.085 0.000 1.151 42 V CA -0.465 61.848 62.300 0.022 0.000 0.929 42 V CB 2.082 33.883 31.823 -0.036 0.000 1.030 42 V HN 1.169 nan 8.190 nan 0.000 0.427 43 H N 3.236 122.292 119.070 -0.023 0.000 2.747 43 H HA 0.845 5.401 4.556 -0.000 0.000 0.371 43 H C -1.192 174.113 175.328 -0.040 0.000 1.161 43 H CA -0.300 55.728 56.048 -0.033 0.000 1.167 43 H CB 2.324 32.070 29.762 -0.026 0.000 1.732 43 H HN 0.580 nan 8.280 nan 0.000 0.544 44 V N 4.942 124.574 119.914 -0.469 0.000 2.513 44 V HA 0.336 4.456 4.120 -0.000 0.000 0.299 44 V C -0.362 175.536 176.094 -0.327 0.000 1.035 44 V CA -0.796 61.317 62.300 -0.313 0.000 0.889 44 V CB 1.636 33.279 31.823 -0.299 0.000 0.988 44 V HN 0.563 nan 8.190 nan 0.000 0.440 45 I N 3.627 124.111 120.570 -0.144 0.000 2.404 45 I HA 0.617 4.786 4.170 -0.000 0.000 0.293 45 I C -0.298 175.749 176.117 -0.116 0.000 0.992 45 I CA -0.558 60.678 61.300 -0.106 0.000 1.149 45 I CB 1.623 39.617 38.000 -0.010 0.000 1.315 45 I HN 0.757 nan 8.210 nan 0.000 0.446 46 E N 3.223 123.336 120.200 -0.144 0.000 2.275 46 E HA 0.388 4.738 4.350 -0.000 0.000 0.270 46 E C 0.149 176.751 176.600 0.002 0.000 0.882 46 E CA -0.405 55.956 56.400 -0.065 0.000 0.758 46 E CB 1.836 31.491 29.700 -0.074 0.000 1.195 46 E HN 0.550 nan 8.360 nan 0.000 0.419 47 T N 1.993 116.554 114.554 0.012 0.000 2.720 47 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 47 T C 0.851 175.558 174.700 0.011 0.000 1.037 47 T CA 1.394 63.503 62.100 0.016 0.000 1.144 47 T CB -0.229 68.639 68.868 -0.001 0.000 0.864 47 T HN 0.615 nan 8.240 nan 0.000 0.444 48 A N 0.462 123.275 122.820 -0.012 0.000 2.386 48 A HA 0.547 4.867 4.320 -0.000 0.000 0.246 48 A C 1.816 179.186 177.584 -0.356 0.000 1.089 48 A CA 0.093 52.039 52.037 -0.151 0.000 0.790 48 A CB -0.088 18.720 19.000 -0.320 0.000 1.042 48 A HN 0.381 nan 8.150 nan 0.000 0.497 49 G N -1.209 107.227 108.800 -0.606 0.000 2.650 49 G HA2 0.265 4.225 3.960 -0.000 0.000 0.214 49 G HA3 0.265 4.225 3.960 -0.000 0.000 0.214 49 G C 0.263 174.605 174.900 -0.929 0.000 1.136 49 G CA 1.078 45.692 45.100 -0.809 0.000 0.789 49 G HN 0.750 nan 8.290 nan 0.000 0.536 50 D N -1.495 118.249 120.400 -1.092 0.000 2.768 50 D HA 0.281 4.921 4.640 -0.000 0.000 0.327 50 D C 0.095 176.052 176.300 -0.572 0.000 1.302 50 D CA -0.351 52.949 54.000 -1.165 0.000 0.897 50 D CB 1.555 42.048 40.800 -0.511 0.000 1.420 50 D HN 0.083 nan 8.370 nan 0.000 0.494 51 V N -1.775 118.033 119.914 -0.177 0.000 3.319 51 V HA 0.742 4.862 4.120 -0.000 0.000 0.303 51 V C 1.112 177.251 176.094 0.075 0.000 1.094 51 V CA 0.930 63.278 62.300 0.081 0.000 1.106 51 V CB 0.798 32.701 31.823 0.134 0.000 1.099 51 V HN 0.978 nan 8.190 nan 0.000 0.476 52 G N -0.463 108.403 108.800 0.109 0.000 2.705 52 G HA2 0.331 4.291 3.960 -0.000 0.000 0.193 52 G HA3 0.331 4.291 3.960 -0.000 0.000 0.193 52 G C 1.412 176.409 174.900 0.162 0.000 1.015 52 G CA 0.625 45.809 45.100 0.140 0.000 0.743 52 G HN 2.581 nan 8.290 nan 0.000 0.476 53 G N -0.328 108.595 108.800 0.205 0.000 2.561 53 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.289 53 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.289 53 G C 1.815 176.813 174.900 0.164 0.000 1.169 53 G CA 2.816 48.056 45.100 0.234 0.000 0.980 53 G HN 1.870 nan 8.290 nan 0.000 0.550 54 V N -2.936 116.870 119.914 -0.179 0.000 2.594 54 V HA -0.041 4.079 4.120 -0.000 0.000 0.253 54 V C 2.336 177.915 176.094 -0.860 0.000 1.069 54 V CA 2.609 64.372 62.300 -0.895 0.000 1.082 54 V CB -1.025 30.206 31.823 -0.988 0.000 0.680 54 V HN 0.691 nan 8.190 nan 0.000 0.469 55 W N -1.097 120.103 121.300 -0.166 0.000 2.800 55 W HA 0.130 4.791 4.660 0.000 0.000 0.249 55 W C 2.321 178.820 176.519 -0.034 0.000 1.294 55 W CA 0.529 57.807 57.345 -0.112 0.000 1.402 55 W CB -0.395 29.029 29.460 -0.059 0.000 1.126 55 W HN 0.349 nan 8.180 nan 0.000 0.652 56 Y N 0.215 120.564 120.300 0.082 0.000 2.301 56 Y HA -0.099 4.451 4.550 -0.000 0.000 0.295 56 Y C 2.261 178.258 175.900 0.162 0.000 1.119 56 Y CA 1.687 59.869 58.100 0.135 0.000 1.162 56 Y CB -0.729 37.837 38.460 0.177 0.000 1.046 56 Y HN 0.092 nan 8.280 nan 0.000 0.538 57 W N 0.189 121.606 121.300 0.194 0.000 2.737 57 W HA 0.223 4.883 4.660 0.000 0.000 0.262 57 W C -0.766 175.799 176.519 0.077 0.000 1.282 57 W CA 0.027 57.453 57.345 0.135 0.000 1.386 57 W CB -0.833 28.768 29.460 0.236 0.000 1.099 57 W HN 0.072 nan 8.180 nan 0.000 0.621 58 N N 2.263 120.787 118.700 -0.293 0.000 2.589 58 N HA 0.141 4.881 4.740 -0.000 0.000 0.232 58 N C 0.632 175.995 175.510 -0.246 0.000 1.015 58 N CA -0.297 52.609 53.050 -0.240 0.000 0.931 58 N CB 0.722 38.891 38.487 -0.530 0.000 1.150 58 N HN 0.178 nan 8.380 nan 0.000 0.512 59 R N 1.355 121.786 120.500 -0.116 0.000 2.596 59 R HA 0.105 4.445 4.340 -0.000 0.000 0.369 59 R C -0.567 175.563 176.300 -0.284 0.000 1.042 59 R CA -0.565 55.422 56.100 -0.187 0.000 1.120 59 R CB -0.400 29.826 30.300 -0.124 0.000 1.353 59 R HN 0.414 nan 8.270 nan 0.000 0.564 60 Y N 0.717 120.845 120.300 -0.287 0.000 2.578 60 Y HA 0.404 4.954 4.550 -0.000 0.000 0.339 60 Y C -2.236 173.267 175.900 -0.662 0.000 1.231 60 Y CA -3.238 54.343 58.100 -0.865 0.000 1.461 60 Y CB -0.419 37.639 38.460 -0.670 0.000 1.323 60 Y HN -0.041 nan 8.280 nan 0.000 0.590 61 P HA 0.130 nan 4.420 nan 0.000 0.268 61 P C 0.837 178.067 177.300 -0.117 0.000 1.204 61 P CA 1.327 64.256 63.100 -0.284 0.000 0.768 61 P CB 0.970 32.555 31.700 -0.192 0.000 0.842 62 G N 1.827 110.566 108.800 -0.102 0.000 2.195 62 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 62 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 62 G C 0.415 175.288 174.900 -0.046 0.000 0.984 62 G CA 0.048 45.129 45.100 -0.031 0.000 0.633 62 G HN 0.872 nan 8.290 nan 0.000 0.525 63 A N 0.239 122.871 122.820 -0.314 0.000 2.548 63 A HA 0.635 4.955 4.320 -0.000 0.000 0.247 63 A C 0.679 178.220 177.584 -0.071 0.000 1.067 63 A CA 1.524 53.301 52.037 -0.433 0.000 0.757 63 A CB 0.147 18.544 19.000 -1.005 0.000 0.996 63 A HN 1.200 nan 8.150 nan 0.000 0.504 64 R N 1.871 122.413 120.500 0.071 0.000 2.604 64 R HA 0.376 4.716 4.340 -0.000 0.000 0.261 64 R C -1.045 175.334 176.300 0.132 0.000 1.080 64 R CA -0.610 55.538 56.100 0.079 0.000 0.917 64 R CB 0.962 31.270 30.300 0.014 0.000 1.252 64 R HN 0.919 nan 8.270 nan 0.000 0.456 65 C N 2.287 121.609 119.300 0.036 0.000 2.676 65 C HA 0.207 4.667 4.460 -0.000 0.000 0.416 65 C C 0.701 175.645 174.990 -0.078 0.000 1.299 65 C CA 0.015 58.999 59.018 -0.057 0.000 2.048 65 C CB 0.049 27.533 27.740 -0.426 0.000 2.713 65 C HN 0.806 nan 8.230 nan 0.000 0.624 66 D N 2.903 123.234 120.400 -0.114 0.000 2.363 66 D HA 0.183 4.823 4.640 -0.000 0.000 0.214 66 D C 0.310 176.575 176.300 -0.058 0.000 1.093 66 D CA 0.453 54.366 54.000 -0.145 0.000 0.837 66 D CB 0.128 40.863 40.800 -0.109 0.000 0.948 66 D HN 0.730 nan 8.370 nan 0.000 0.507 67 I N -2.596 117.978 120.570 0.007 0.000 2.892 67 I HA 0.448 4.618 4.170 -0.000 0.000 0.306 67 I C -0.194 176.005 176.117 0.137 0.000 1.078 67 I CA -1.088 60.293 61.300 0.135 0.000 1.032 67 I CB 2.159 40.180 38.000 0.034 0.000 1.229 67 I HN -0.379 nan 8.210 nan 0.000 0.435 68 E N 1.903 122.120 120.200 0.027 0.000 2.415 68 E HA 0.078 4.428 4.350 -0.000 0.000 0.262 68 E C 0.730 177.155 176.600 -0.292 0.000 1.038 68 E CA -0.050 56.176 56.400 -0.291 0.000 0.921 68 E CB 1.017 30.548 29.700 -0.281 0.000 0.950 68 E HN 0.653 nan 8.360 nan 0.000 0.438 69 S N 2.211 117.630 115.700 -0.468 0.000 2.387 69 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 69 S C 1.939 176.061 174.600 -0.796 0.000 1.035 69 S CA 1.615 59.307 58.200 -0.848 0.000 1.014 69 S CB -0.417 62.297 63.200 -0.810 0.000 0.836 69 S HN 0.635 nan 8.310 nan 0.000 0.466 70 I N -0.578 119.785 120.570 -0.344 0.000 2.676 70 I HA -0.003 4.166 4.170 -0.000 0.000 0.259 70 I C 1.899 178.108 176.117 0.154 0.000 1.194 70 I CA 1.208 62.461 61.300 -0.077 0.000 1.473 70 I CB -0.225 37.694 38.000 -0.135 0.000 1.096 70 I HN 0.062 nan 8.210 nan 0.000 0.443 71 E N 0.776 121.027 120.200 0.084 0.000 2.127 71 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 71 E C 0.239 176.848 176.600 0.015 0.000 0.964 71 E CA 0.545 57.037 56.400 0.153 0.000 0.832 71 E CB -0.079 29.707 29.700 0.143 0.000 0.790 71 E HN 0.549 nan 8.360 nan 0.000 0.465 72 Y N 2.666 122.800 120.300 -0.278 0.000 2.724 72 Y HA 0.170 4.720 4.550 -0.000 0.000 0.332 72 Y C -0.280 175.312 175.900 -0.513 0.000 1.276 72 Y CA -1.059 56.815 58.100 -0.378 0.000 1.597 72 Y CB -0.295 37.939 38.460 -0.377 0.000 1.584 72 Y HN 0.054 nan 8.280 nan 0.000 0.478 73 C N 1.203 120.196 119.300 -0.513 0.000 3.312 73 C HA 0.509 4.969 4.460 -0.000 0.000 0.332 73 C C -1.187 173.626 174.990 -0.296 0.000 1.340 73 C CA -1.663 57.117 59.018 -0.397 0.000 1.265 73 C CB 0.328 28.037 27.740 -0.051 0.000 1.563 73 C HN 0.423 nan 8.230 nan 0.000 0.471 74 Y N 1.529 121.780 120.300 -0.082 0.000 2.379 74 Y HA 0.436 4.986 4.550 -0.001 0.000 0.337 74 Y C 1.738 177.471 175.900 -0.279 0.000 1.238 74 Y CA 0.903 58.878 58.100 -0.209 0.000 1.405 74 Y CB 1.079 39.346 38.460 -0.322 0.000 1.310 74 Y HN 0.950 nan 8.280 nan 0.000 0.569 75 S N 0.608 116.256 115.700 -0.086 0.000 2.666 75 S HA -0.007 4.463 4.470 -0.000 0.000 0.239 75 S C 1.106 175.617 174.600 -0.149 0.000 1.031 75 S CA -0.360 57.752 58.200 -0.147 0.000 1.015 75 S CB -0.745 62.430 63.200 -0.043 0.000 0.981 75 S HN 0.579 nan 8.310 nan 0.000 0.547 76 F N 2.140 121.983 119.950 -0.178 0.000 2.502 76 F HA 0.439 4.966 4.527 0.000 0.000 0.298 76 F C 0.677 176.415 175.800 -0.104 0.000 1.111 76 F CA 0.069 57.969 58.000 -0.166 0.000 1.445 76 F CB -0.629 38.149 39.000 -0.371 0.000 1.081 76 F HN 0.261 nan 8.300 nan 0.000 0.558 77 S N 0.327 115.718 115.700 -0.515 0.000 2.596 77 S HA 0.306 4.776 4.470 -0.000 0.000 0.318 77 S C 0.721 175.240 174.600 -0.135 0.000 1.097 77 S CA -0.581 57.473 58.200 -0.244 0.000 1.080 77 S CB 1.127 64.130 63.200 -0.327 0.000 0.991 77 S HN 0.233 nan 8.310 nan 0.000 0.471 78 E N 3.713 123.905 120.200 -0.012 0.000 2.110 78 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 78 E C 1.485 178.101 176.600 0.028 0.000 0.988 78 E CA 1.708 58.112 56.400 0.007 0.000 0.804 78 E CB 0.006 29.733 29.700 0.045 0.000 0.745 78 E HN 0.860 nan 8.360 nan 0.000 0.458 79 E N -0.558 119.676 120.200 0.055 0.000 2.047 79 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 79 E C 2.147 178.808 176.600 0.101 0.000 0.987 79 E CA 1.261 57.707 56.400 0.078 0.000 0.799 79 E CB -0.012 29.739 29.700 0.087 0.000 0.752 79 E HN 0.117 nan 8.360 nan 0.000 0.449 80 V N 1.770 121.721 119.914 0.062 0.000 2.282 80 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 80 V C 2.396 178.598 176.094 0.180 0.000 1.057 80 V CA 1.611 63.994 62.300 0.138 0.000 1.032 80 V CB -0.478 31.297 31.823 -0.081 0.000 0.645 80 V HN 0.270 nan 8.190 nan 0.000 0.447 81 L N -0.512 120.729 121.223 0.030 0.000 2.079 81 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 81 L C 2.732 179.681 176.870 0.131 0.000 1.081 81 L CA 1.422 56.253 54.840 -0.014 0.000 0.752 81 L CB -0.544 41.373 42.059 -0.238 0.000 0.896 81 L HN 0.354 nan 8.230 nan 0.000 0.433 82 Q N -0.304 119.563 119.800 0.110 0.000 2.187 82 Q HA -0.124 4.216 4.340 -0.000 0.000 0.199 82 Q C 1.912 177.958 176.000 0.077 0.000 0.957 82 Q CA 1.168 57.031 55.803 0.100 0.000 0.857 82 Q CB 0.043 28.824 28.738 0.072 0.000 0.929 82 Q HN 0.603 nan 8.270 nan 0.000 0.453 83 E N -1.001 119.265 120.200 0.109 0.000 2.340 83 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 83 E C 0.230 176.784 176.600 -0.077 0.000 0.996 83 E CA -0.341 56.087 56.400 0.047 0.000 0.869 83 E CB 0.328 30.123 29.700 0.158 0.000 0.835 83 E HN 0.213 nan 8.360 nan 0.000 0.493 84 W N 2.292 123.463 121.300 -0.215 0.000 2.351 84 W HA 0.215 4.875 4.660 -0.000 0.000 0.311 84 W C -0.905 175.410 176.519 -0.341 0.000 1.168 84 W CA -0.572 56.536 57.345 -0.394 0.000 1.200 84 W CB 0.779 30.049 29.460 -0.317 0.000 1.221 84 W HN -0.135 nan 8.180 nan 0.000 0.519 85 N N 5.951 123.993 118.700 -1.096 0.000 2.501 85 N HA 0.130 4.869 4.740 -0.000 0.000 0.245 85 N C -1.036 173.944 175.510 -0.884 0.000 0.974 85 N CA -0.193 52.411 53.050 -0.742 0.000 0.941 85 N CB 0.303 38.464 38.487 -0.542 0.000 1.122 85 N HN 0.266 nan 8.380 nan 0.000 0.507 86 W N 0.651 121.810 121.300 -0.235 0.000 2.216 86 W HA 0.115 4.775 4.660 -0.001 0.000 0.326 86 W C 1.740 178.191 176.519 -0.114 0.000 1.319 86 W CA -0.364 56.944 57.345 -0.061 0.000 1.213 86 W CB 0.747 30.242 29.460 0.059 0.000 1.171 86 W HN 0.496 nan 8.180 nan 0.000 0.557 87 T N -1.938 112.714 114.554 0.164 0.000 3.014 87 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 87 T C 0.272 175.000 174.700 0.046 0.000 1.060 87 T CA 0.087 62.212 62.100 0.041 0.000 1.040 87 T CB 0.153 69.013 68.868 -0.014 0.000 0.971 87 T HN 0.438 nan 8.240 nan 0.000 0.497 88 E N 0.059 120.304 120.200 0.076 0.000 2.416 88 E HA 0.471 4.820 4.350 -0.000 0.000 0.273 88 E C 0.364 176.917 176.600 -0.079 0.000 0.935 88 E CA -1.013 55.390 56.400 0.005 0.000 0.784 88 E CB 2.246 31.962 29.700 0.026 0.000 1.301 88 E HN -0.080 nan 8.360 nan 0.000 0.454 89 R N 0.541 120.941 120.500 -0.167 0.000 2.091 89 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 89 R C -0.165 175.738 176.300 -0.662 0.000 1.136 89 R CA 1.657 57.506 56.100 -0.419 0.000 0.959 89 R CB 0.113 30.133 30.300 -0.466 0.000 0.856 89 R HN 0.406 nan 8.270 nan 0.000 0.437 90 Y N -0.615 119.626 120.300 -0.099 0.000 2.326 90 Y HA 0.471 5.021 4.550 0.000 0.000 0.329 90 Y C -0.183 175.647 175.900 -0.117 0.000 0.973 90 Y CA -1.020 57.000 58.100 -0.133 0.000 1.162 90 Y CB 1.767 40.163 38.460 -0.107 0.000 1.147 90 Y HN 0.061 nan 8.280 nan 0.000 0.456 91 A N 2.327 125.110 122.820 -0.061 0.000 2.401 91 A HA 0.492 4.812 4.320 -0.000 0.000 0.259 91 A C 0.463 178.025 177.584 -0.037 0.000 1.103 91 A CA -0.394 51.632 52.037 -0.018 0.000 0.789 91 A CB -0.003 18.977 19.000 -0.032 0.000 1.035 91 A HN 0.786 nan 8.150 nan 0.000 0.491 92 S N 1.624 117.334 115.700 0.018 0.000 2.593 92 S HA 0.072 4.542 4.470 -0.000 0.000 0.269 92 S C 1.116 175.698 174.600 -0.029 0.000 1.334 92 S CA 0.206 58.406 58.200 0.000 0.000 1.015 92 S CB 0.925 64.137 63.200 0.019 0.000 0.912 92 S HN 0.831 nan 8.310 nan 0.000 0.541 93 Q N 1.375 121.183 119.800 0.013 0.000 2.061 93 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 93 Q C -1.003 175.040 176.000 0.072 0.000 0.984 93 Q CA 2.140 58.009 55.803 0.110 0.000 0.846 93 Q CB -1.950 26.895 28.738 0.179 0.000 0.902 93 Q HN 0.613 nan 8.270 nan 0.000 0.421 94 P HA -0.140 nan 4.420 nan 0.000 0.215 94 P C 1.062 178.430 177.300 0.114 0.000 1.153 94 P CA 1.671 64.813 63.100 0.069 0.000 0.853 94 P CB -0.211 31.517 31.700 0.048 0.000 0.788 95 E N -0.508 119.771 120.200 0.132 0.000 2.072 95 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 95 E C 1.953 178.724 176.600 0.285 0.000 0.985 95 E CA 0.838 57.385 56.400 0.244 0.000 0.801 95 E CB -0.458 29.415 29.700 0.288 0.000 0.750 95 E HN 0.124 nan 8.360 nan 0.000 0.452 96 I N 0.808 121.462 120.570 0.140 0.000 2.163 96 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 96 I C 2.503 178.643 176.117 0.039 0.000 1.085 96 I CA 0.559 61.876 61.300 0.028 0.000 1.347 96 I CB -0.218 37.445 38.000 -0.563 0.000 1.044 96 I HN 0.237 nan 8.210 nan 0.000 0.408 97 L N 0.935 122.199 121.223 0.069 0.000 2.046 97 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 97 L C 2.620 179.552 176.870 0.104 0.000 1.077 97 L CA 1.779 56.686 54.840 0.113 0.000 0.747 97 L CB -0.624 41.529 42.059 0.156 0.000 0.896 97 L HN 0.081 nan 8.230 nan 0.000 0.432 98 R N -1.893 118.694 120.500 0.145 0.000 2.091 98 R HA -0.257 4.083 4.340 -0.000 0.000 0.238 98 R C 2.277 178.604 176.300 0.046 0.000 1.136 98 R CA 2.014 58.227 56.100 0.187 0.000 0.959 98 R CB -0.830 29.661 30.300 0.319 0.000 0.856 98 R HN 0.467 nan 8.270 nan 0.000 0.437 99 Y N 1.471 121.539 120.300 -0.386 0.000 2.145 99 Y HA -0.185 4.364 4.550 -0.000 0.000 0.286 99 Y C 1.985 177.664 175.900 -0.369 0.000 1.145 99 Y CA 1.479 58.947 58.100 -1.053 0.000 1.148 99 Y CB -0.257 37.527 38.460 -1.128 0.000 0.981 99 Y HN -0.071 nan 8.280 nan 0.000 0.507 100 I N 0.482 120.951 120.570 -0.167 0.000 2.226 100 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 100 I C 2.115 178.174 176.117 -0.097 0.000 1.100 100 I CA 1.484 62.688 61.300 -0.160 0.000 1.374 100 I CB -0.565 37.331 38.000 -0.174 0.000 1.057 100 I HN 0.338 nan 8.210 nan 0.000 0.413 101 N N 0.721 119.406 118.700 -0.025 0.000 2.166 101 N HA -0.209 4.531 4.740 -0.000 0.000 0.186 101 N C 1.878 177.397 175.510 0.016 0.000 1.019 101 N CA 1.362 54.426 53.050 0.023 0.000 0.856 101 N CB -0.322 38.209 38.487 0.074 0.000 0.993 101 N HN 0.295 nan 8.380 nan 0.000 0.426 102 F N 2.461 122.313 119.950 -0.164 0.000 2.095 102 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 102 F C 2.184 177.838 175.800 -0.244 0.000 1.104 102 F CA 1.045 58.938 58.000 -0.177 0.000 1.232 102 F CB -0.627 38.259 39.000 -0.189 0.000 0.987 102 F HN -0.257 nan 8.300 nan 0.000 0.475 103 V N 0.927 120.498 119.914 -0.573 0.000 2.295 103 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 103 V C 2.842 178.783 176.094 -0.253 0.000 1.049 103 V CA 1.974 63.950 62.300 -0.541 0.000 1.024 103 V CB -1.757 29.915 31.823 -0.252 0.000 0.648 103 V HN 0.525 nan 8.190 nan 0.000 0.447 104 A N -0.198 122.560 122.820 -0.104 0.000 1.902 104 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 104 A C 1.987 179.547 177.584 -0.039 0.000 1.181 104 A CA 2.021 54.061 52.037 0.006 0.000 0.623 104 A CB -0.643 18.391 19.000 0.057 0.000 0.818 104 A HN 0.538 nan 8.150 nan 0.000 0.443 105 D N -0.407 119.932 120.400 -0.102 0.000 2.092 105 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 105 D C 1.898 178.076 176.300 -0.203 0.000 0.994 105 D CA 1.621 55.563 54.000 -0.097 0.000 0.828 105 D CB -0.299 40.470 40.800 -0.051 0.000 0.963 105 D HN 0.553 nan 8.370 nan 0.000 0.450 106 K N -0.512 119.604 120.400 -0.474 0.000 2.103 106 K HA -0.131 4.188 4.320 -0.000 0.000 0.207 106 K C 0.843 177.070 176.600 -0.621 0.000 1.048 106 K CA 1.019 56.872 56.287 -0.722 0.000 0.930 106 K CB -0.066 31.624 32.500 -1.350 0.000 0.716 106 K HN 0.087 nan 8.250 nan 0.000 0.444 107 F N 0.802 120.687 119.950 -0.109 0.000 2.647 107 F HA 0.148 4.675 4.527 -0.001 0.000 0.300 107 F C -0.143 175.681 175.800 0.039 0.000 1.106 107 F CA -0.603 57.401 58.000 0.007 0.000 1.313 107 F CB -0.036 39.000 39.000 0.059 0.000 1.007 107 F HN 0.085 nan 8.300 nan 0.000 0.536 108 D N 0.916 121.388 120.400 0.120 0.000 2.686 108 D HA -0.230 4.410 4.640 -0.000 0.000 0.235 108 D C 0.801 177.173 176.300 0.121 0.000 1.160 108 D CA 0.472 54.532 54.000 0.100 0.000 0.645 108 D CB -0.888 39.965 40.800 0.088 0.000 1.039 108 D HN 0.391 nan 8.370 nan 0.000 0.423 109 L N -0.265 121.038 121.223 0.133 0.000 2.270 109 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 109 L C 2.590 179.516 176.870 0.093 0.000 1.104 109 L CA 0.450 55.364 54.840 0.124 0.000 0.804 109 L CB -0.257 41.888 42.059 0.143 0.000 0.937 109 L HN 0.152 nan 8.230 nan 0.000 0.450 110 R N 0.193 120.770 120.500 0.128 0.000 2.237 110 R HA -0.096 4.244 4.340 -0.000 0.000 0.219 110 R C 2.467 178.840 176.300 0.122 0.000 1.080 110 R CA 1.337 57.547 56.100 0.183 0.000 0.995 110 R CB -0.276 30.182 30.300 0.262 0.000 0.875 110 R HN 0.440 nan 8.270 nan 0.000 0.462 111 S N -0.359 115.399 115.700 0.096 0.000 2.474 111 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 111 S C 1.734 176.383 174.600 0.082 0.000 0.997 111 S CA 1.003 59.257 58.200 0.090 0.000 0.949 111 S CB 0.073 63.320 63.200 0.079 0.000 0.766 111 S HN 0.404 nan 8.310 nan 0.000 0.517 112 G N 0.534 109.343 108.800 0.014 0.000 3.337 112 G HA2 0.510 4.470 3.960 -0.000 0.000 0.246 112 G HA3 0.510 4.470 3.960 -0.000 0.000 0.246 112 G C 0.099 174.713 174.900 -0.477 0.000 1.131 112 G CA -0.431 44.633 45.100 -0.060 0.000 0.773 112 G HN 0.523 nan 8.290 nan 0.000 0.544 113 I N 0.432 120.743 120.570 -0.431 0.000 2.545 113 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 113 I C -0.644 175.142 176.117 -0.552 0.000 1.040 113 I CA -0.663 60.208 61.300 -0.715 0.000 1.068 113 I CB 2.576 40.090 38.000 -0.809 0.000 1.251 113 I HN -0.262 nan 8.210 nan 0.000 0.424 114 T N 5.842 120.124 114.554 -0.453 0.000 2.753 114 T HA 0.481 4.830 4.350 -0.000 0.000 0.297 114 T C -0.233 174.284 174.700 -0.305 0.000 0.981 114 T CA -0.195 61.815 62.100 -0.149 0.000 0.956 114 T CB -0.034 68.913 68.868 0.133 0.000 0.936 114 T HN 0.109 nan 8.240 nan 0.000 0.463 115 F N 1.474 121.461 119.950 0.060 0.000 2.362 115 F HA 0.330 4.857 4.527 -0.000 0.000 0.311 115 F C 1.784 177.653 175.800 0.115 0.000 1.161 115 F CA -0.609 57.389 58.000 -0.005 0.000 1.085 115 F CB 0.308 39.255 39.000 -0.088 0.000 1.311 115 F HN 0.624 nan 8.300 nan 0.000 0.524 116 H N -1.517 117.729 119.070 0.292 0.000 2.921 116 H HA -0.159 4.397 4.556 -0.000 0.000 0.281 116 H C -0.699 174.744 175.328 0.191 0.000 1.165 116 H CA 0.968 57.155 56.048 0.232 0.000 1.151 116 H CB -2.029 27.885 29.762 0.254 0.000 1.311 116 H HN 0.438 nan 8.280 nan 0.000 0.361 117 T N 0.995 115.633 114.554 0.139 0.000 2.879 117 T HA 0.388 4.737 4.350 -0.000 0.000 0.290 117 T C 0.301 174.959 174.700 -0.070 0.000 0.993 117 T CA -0.509 61.569 62.100 -0.036 0.000 0.975 117 T CB 2.532 71.442 68.868 0.071 0.000 0.981 117 T HN 0.068 nan 8.240 nan 0.000 0.439 118 T N 2.672 117.142 114.554 -0.141 0.000 2.770 118 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 118 T C 0.375 175.042 174.700 -0.055 0.000 0.988 118 T CA -0.510 61.545 62.100 -0.075 0.000 0.957 118 T CB 0.987 69.813 68.868 -0.069 0.000 0.930 118 T HN 0.392 nan 8.240 nan 0.000 0.443 119 V N 4.771 124.672 119.914 -0.022 0.000 2.493 119 V HA 0.083 4.202 4.120 -0.000 0.000 0.292 119 V C 1.731 177.828 176.094 0.005 0.000 1.016 119 V CA 0.662 62.961 62.300 -0.002 0.000 1.097 119 V CB 0.452 32.279 31.823 0.007 0.000 0.947 119 V HN 1.165 nan 8.190 nan 0.000 0.479 120 T N 1.431 115.993 114.554 0.013 0.000 3.000 120 T HA 0.569 4.919 4.350 -0.000 0.000 0.248 120 T C 0.447 175.172 174.700 0.040 0.000 1.034 120 T CA 0.496 62.608 62.100 0.021 0.000 1.060 120 T CB 0.533 69.410 68.868 0.015 0.000 0.983 120 T HN 1.004 nan 8.240 nan 0.000 0.482 121 A N 0.198 123.050 122.820 0.053 0.000 2.604 121 A HA 0.872 5.192 4.320 -0.000 0.000 0.295 121 A C -1.537 176.114 177.584 0.112 0.000 1.067 121 A CA -0.593 51.493 52.037 0.081 0.000 0.683 121 A CB 1.239 20.285 19.000 0.078 0.000 1.281 121 A HN 1.019 nan 8.150 nan 0.000 0.407 122 A N 0.121 123.046 122.820 0.175 0.000 2.459 122 A HA 0.921 5.241 4.320 -0.000 0.000 0.296 122 A C -0.481 177.405 177.584 0.503 0.000 1.039 122 A CA 0.184 52.400 52.037 0.298 0.000 0.698 122 A CB 1.217 20.331 19.000 0.190 0.000 1.261 122 A HN 2.545 nan 8.150 nan 0.000 0.405 123 A N 1.434 124.534 122.820 0.467 0.000 2.371 123 A HA 0.739 5.059 4.320 -0.000 0.000 0.311 123 A C -0.975 176.550 177.584 -0.098 0.000 1.068 123 A CA -0.482 51.705 52.037 0.250 0.000 0.744 123 A CB 0.749 19.800 19.000 0.086 0.000 1.239 123 A HN 1.502 nan 8.150 nan 0.000 0.435 124 F N 1.606 121.053 119.950 -0.838 0.000 2.412 124 F HA 0.472 4.998 4.527 -0.000 0.000 0.348 124 F C -0.008 175.436 175.800 -0.593 0.000 1.102 124 F CA -0.151 57.102 58.000 -1.245 0.000 1.196 124 F CB 0.991 39.090 39.000 -1.502 0.000 1.144 124 F HN 0.591 nan 8.300 nan 0.000 0.541 125 D N 4.251 123.892 120.400 -1.266 0.000 2.453 125 D HA 0.157 4.796 4.640 -0.000 0.000 0.238 125 D C 0.696 176.310 176.300 -1.142 0.000 1.088 125 D CA -0.243 53.230 54.000 -0.878 0.000 0.854 125 D CB 1.166 41.656 40.800 -0.517 0.000 1.076 125 D HN 0.617 nan 8.370 nan 0.000 0.533 126 E N 3.279 122.997 120.200 -0.803 0.000 2.077 126 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 126 E C 1.801 178.200 176.600 -0.334 0.000 0.989 126 E CA 1.648 57.745 56.400 -0.505 0.000 0.800 126 E CB -0.120 29.474 29.700 -0.177 0.000 0.746 126 E HN 0.559 nan 8.360 nan 0.000 0.452 127 A N -0.392 122.260 122.820 -0.281 0.000 1.892 127 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 127 A C 2.421 179.889 177.584 -0.193 0.000 1.188 127 A CA 2.787 54.708 52.037 -0.193 0.000 0.631 127 A CB -1.153 17.751 19.000 -0.161 0.000 0.822 127 A HN 0.474 nan 8.150 nan 0.000 0.447 128 T N -4.019 110.384 114.554 -0.252 0.000 3.044 128 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 128 T C 0.460 175.018 174.700 -0.236 0.000 1.081 128 T CA 0.477 62.450 62.100 -0.211 0.000 1.040 128 T CB -0.654 68.098 68.868 -0.193 0.000 0.962 128 T HN 0.625 nan 8.240 nan 0.000 0.506 129 N N 2.024 120.512 118.700 -0.353 0.000 2.738 129 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 129 N C -0.462 174.902 175.510 -0.242 0.000 1.047 129 N CA 0.582 53.468 53.050 -0.274 0.000 0.707 129 N CB -1.370 37.070 38.487 -0.078 0.000 0.937 129 N HN 0.826 nan 8.380 nan 0.000 0.545 130 T N -3.938 110.365 114.554 -0.417 0.000 2.883 130 T HA 0.622 4.972 4.350 -0.000 0.000 0.296 130 T C -0.812 173.722 174.700 -0.277 0.000 1.117 130 T CA -0.795 61.181 62.100 -0.208 0.000 1.006 130 T CB 1.399 70.191 68.868 -0.127 0.000 1.191 130 T HN 0.258 nan 8.240 nan 0.000 0.508 131 W N 1.819 123.120 121.300 0.001 0.000 2.390 131 W HA 0.524 5.183 4.660 -0.000 0.000 0.312 131 W C 0.572 177.093 176.519 0.004 0.000 1.123 131 W CA -0.437 56.937 57.345 0.049 0.000 1.202 131 W CB 1.615 31.138 29.460 0.105 0.000 1.251 131 W HN 0.917 nan 8.180 nan 0.000 0.511 132 T N 0.350 115.025 114.554 0.202 0.000 2.749 132 T HA 0.664 5.014 4.350 -0.000 0.000 0.287 132 T C -0.894 173.922 174.700 0.193 0.000 0.970 132 T CA -0.714 61.470 62.100 0.140 0.000 0.980 132 T CB 0.788 69.682 68.868 0.045 0.000 0.924 132 T HN 0.154 nan 8.240 nan 0.000 0.456 133 V N 4.072 124.077 119.914 0.151 0.000 2.448 133 V HA 0.454 4.574 4.120 -0.000 0.000 0.295 133 V C -0.547 175.598 176.094 0.084 0.000 1.025 133 V CA -0.902 61.475 62.300 0.128 0.000 0.859 133 V CB 1.638 33.524 31.823 0.104 0.000 0.988 133 V HN 0.926 nan 8.190 nan 0.000 0.431 134 D N 2.387 122.832 120.400 0.075 0.000 2.198 134 D HA 0.645 5.285 4.640 -0.000 0.000 0.247 134 D C 0.183 176.507 176.300 0.040 0.000 1.010 134 D CA -0.122 53.911 54.000 0.055 0.000 0.880 134 D CB 2.401 43.232 40.800 0.052 0.000 1.209 134 D HN 0.707 nan 8.370 nan 0.000 0.451 135 T N -2.049 112.523 114.554 0.031 0.000 2.926 135 T HA 0.244 4.594 4.350 -0.000 0.000 0.289 135 T C 0.935 175.625 174.700 -0.016 0.000 1.054 135 T CA -0.839 61.261 62.100 -0.000 0.000 1.015 135 T CB 1.163 70.031 68.868 0.000 0.000 1.167 135 T HN 0.246 nan 8.240 nan 0.000 0.526 136 N N -0.179 118.465 118.700 -0.093 0.000 2.571 136 N HA -0.088 4.652 4.740 -0.000 0.000 0.189 136 N C 0.459 175.948 175.510 -0.035 0.000 1.154 136 N CA 0.572 53.567 53.050 -0.093 0.000 0.907 136 N CB -0.593 37.810 38.487 -0.140 0.000 0.977 136 N HN 0.668 nan 8.380 nan 0.000 0.449 137 H N -0.316 118.781 119.070 0.044 0.000 2.505 137 H HA 0.354 4.910 4.556 -0.000 0.000 0.286 137 H C 0.998 176.346 175.328 0.033 0.000 1.072 137 H CA -0.199 55.873 56.048 0.041 0.000 1.141 137 H CB -0.076 29.716 29.762 0.049 0.000 1.550 137 H HN 0.375 nan 8.280 nan 0.000 0.547 138 G N 1.638 110.514 108.800 0.126 0.000 2.249 138 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 138 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 138 G C -0.309 174.635 174.900 0.074 0.000 1.036 138 G CA 0.329 45.479 45.100 0.082 0.000 0.824 138 G HN 0.386 nan 8.290 nan 0.000 0.504 139 D N -0.651 119.798 120.400 0.082 0.000 2.313 139 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 139 D C 0.634 176.963 176.300 0.048 0.000 1.094 139 D CA -0.028 54.010 54.000 0.062 0.000 0.925 139 D CB 1.278 42.119 40.800 0.070 0.000 1.188 139 D HN 0.348 nan 8.370 nan 0.000 0.430 140 R N 1.438 121.961 120.500 0.037 0.000 2.476 140 R HA 0.480 4.820 4.340 -0.000 0.000 0.305 140 R C -1.285 175.034 176.300 0.031 0.000 0.965 140 R CA -0.574 55.548 56.100 0.036 0.000 0.867 140 R CB 0.685 31.002 30.300 0.028 0.000 1.176 140 R HN 0.317 nan 8.270 nan 0.000 0.447 141 I N 3.169 123.766 120.570 0.045 0.000 2.474 141 I HA 0.451 4.621 4.170 -0.000 0.000 0.294 141 I C -0.050 176.104 176.117 0.062 0.000 1.005 141 I CA -0.592 60.734 61.300 0.043 0.000 1.113 141 I CB 2.047 40.077 38.000 0.051 0.000 1.289 141 I HN 0.391 nan 8.210 nan 0.000 0.436 142 R N 4.341 124.870 120.500 0.048 0.000 2.246 142 R HA 0.808 5.148 4.340 -0.000 0.000 0.332 142 R C -0.934 175.411 176.300 0.074 0.000 0.974 142 R CA -0.490 55.643 56.100 0.056 0.000 0.837 142 R CB 1.524 31.835 30.300 0.018 0.000 1.145 142 R HN 0.774 nan 8.270 nan 0.000 0.467 143 A N 2.394 125.288 122.820 0.124 0.000 2.374 143 A HA 0.349 4.669 4.320 -0.000 0.000 0.317 143 A C 0.574 178.247 177.584 0.148 0.000 1.094 143 A CA -0.788 51.334 52.037 0.142 0.000 0.765 143 A CB 1.601 20.701 19.000 0.165 0.000 1.268 143 A HN 0.835 nan 8.150 nan 0.000 0.438 144 R N 0.781 121.337 120.500 0.093 0.000 2.062 144 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 144 R C -0.633 175.533 176.300 -0.223 0.000 1.128 144 R CA 1.649 57.686 56.100 -0.104 0.000 0.960 144 R CB -0.306 29.905 30.300 -0.148 0.000 0.855 144 R HN 0.677 nan 8.270 nan 0.000 0.432 145 Y N -0.496 119.988 120.300 0.306 0.000 2.468 145 Y HA 0.463 5.013 4.550 -0.000 0.000 0.342 145 Y C -0.900 175.105 175.900 0.175 0.000 1.021 145 Y CA -1.482 56.806 58.100 0.314 0.000 1.079 145 Y CB 1.795 40.462 38.460 0.344 0.000 1.226 145 Y HN -0.073 nan 8.280 nan 0.000 0.460 146 L N 4.419 125.727 121.223 0.143 0.000 2.325 146 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 146 L C -1.329 175.503 176.870 -0.063 0.000 1.004 146 L CA -0.755 54.014 54.840 -0.119 0.000 0.823 146 L CB 0.777 42.463 42.059 -0.622 0.000 1.236 146 L HN 0.554 nan 8.230 nan 0.000 0.415 147 I N 6.091 126.667 120.570 0.010 0.000 2.339 147 I HA 0.331 4.500 4.170 -0.000 0.000 0.290 147 I C -0.411 175.702 176.117 -0.006 0.000 0.994 147 I CA -0.554 60.768 61.300 0.037 0.000 1.191 147 I CB 1.561 39.606 38.000 0.077 0.000 1.343 147 I HN 0.469 nan 8.210 nan 0.000 0.458 148 M N 6.099 125.692 119.600 -0.013 0.000 2.261 148 M HA 0.273 4.753 4.480 -0.000 0.000 0.349 148 M C 0.432 176.819 176.300 0.145 0.000 1.305 148 M CA -0.258 55.080 55.300 0.064 0.000 1.240 148 M CB 0.572 33.257 32.600 0.142 0.000 1.394 148 M HN 0.632 nan 8.290 nan 0.000 0.438 149 A N 2.239 125.132 122.820 0.122 0.000 3.003 149 A HA 0.317 4.637 4.320 -0.000 0.000 0.301 149 A C 1.094 178.767 177.584 0.149 0.000 1.280 149 A CA -0.307 51.822 52.037 0.154 0.000 0.973 149 A CB -0.376 18.709 19.000 0.142 0.000 1.110 149 A HN 0.730 nan 8.150 nan 0.000 0.590 150 S N -1.007 114.779 115.700 0.143 0.000 2.575 150 S HA 0.473 4.943 4.470 -0.000 0.000 0.215 150 S C 1.076 175.756 174.600 0.133 0.000 0.966 150 S CA 0.289 58.562 58.200 0.122 0.000 0.911 150 S CB -0.421 62.838 63.200 0.098 0.000 0.780 150 S HN 1.997 nan 8.310 nan 0.000 0.514 151 G N 1.220 110.110 108.800 0.150 0.000 2.710 151 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.668 151 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.668 151 G C -0.300 174.665 174.900 0.107 0.000 1.320 151 G CA -0.101 45.086 45.100 0.145 0.000 0.860 151 G HN 0.253 nan 8.290 nan 0.000 0.538 152 Q N -1.069 118.780 119.800 0.082 0.000 2.322 152 Q HA 0.450 4.789 4.340 -0.000 0.000 0.250 152 Q C 0.818 176.837 176.000 0.031 0.000 0.853 152 Q CA 0.449 56.280 55.803 0.047 0.000 0.951 152 Q CB 0.901 29.661 28.738 0.036 0.000 1.114 152 Q HN 0.525 nan 8.270 nan 0.000 0.523 153 L N 1.406 122.647 121.223 0.030 0.000 2.325 153 L HA 0.683 5.023 4.340 -0.000 0.000 0.281 153 L C -0.448 176.598 176.870 0.294 0.000 1.004 153 L CA -0.707 54.145 54.840 0.020 0.000 0.823 153 L CB 1.696 43.509 42.059 -0.409 0.000 1.236 153 L HN 0.018 nan 8.230 nan 0.000 0.415 154 S N 1.035 116.935 115.700 0.334 0.000 2.651 154 S HA 0.634 5.104 4.470 -0.000 0.000 0.279 154 S C -0.373 174.376 174.600 0.248 0.000 1.148 154 S CA -1.004 57.337 58.200 0.235 0.000 0.837 154 S CB 1.775 65.011 63.200 0.061 0.000 1.138 154 S HN 0.396 nan 8.310 nan 0.000 0.478 155 V N -0.222 119.689 119.914 -0.005 0.000 2.493 155 V HA 0.371 4.490 4.120 -0.000 0.000 0.292 155 V C -2.369 173.735 176.094 0.018 0.000 1.016 155 V CA -1.193 61.105 62.300 -0.003 0.000 1.097 155 V CB -0.900 30.849 31.823 -0.125 0.000 0.947 155 V HN 0.795 nan 8.190 nan 0.000 0.479 156 P HA 0.124 nan 4.420 nan 0.000 0.268 156 P C -0.542 176.756 177.300 -0.002 0.000 1.205 156 P CA 0.099 63.207 63.100 0.014 0.000 0.771 156 P CB 0.532 32.225 31.700 -0.013 0.000 0.858 157 Q N 2.771 122.575 119.800 0.006 0.000 2.963 157 Q HA 0.371 4.711 4.340 -0.000 0.000 0.262 157 Q C -0.263 175.733 176.000 -0.007 0.000 1.318 157 Q CA 0.039 55.844 55.803 0.003 0.000 1.089 157 Q CB -0.156 28.595 28.738 0.021 0.000 1.424 157 Q HN 0.501 nan 8.270 nan 0.000 0.560 158 L N 1.901 123.109 121.223 -0.025 0.000 2.388 158 L HA 0.548 4.888 4.340 -0.000 0.000 0.264 158 L C -1.907 174.932 176.870 -0.052 0.000 0.998 158 L CA -2.085 52.728 54.840 -0.045 0.000 0.817 158 L CB 1.825 43.840 42.059 -0.073 0.000 1.338 158 L HN 0.215 nan 8.230 nan 0.000 0.414 159 P HA 0.111 nan 4.420 nan 0.000 0.268 159 P C -1.000 176.246 177.300 -0.091 0.000 1.208 159 P CA -0.325 62.743 63.100 -0.052 0.000 0.777 159 P CB 0.539 32.211 31.700 -0.047 0.000 0.875 160 N N 0.209 118.880 118.700 -0.049 0.000 2.379 160 N HA 0.195 4.935 4.740 -0.000 0.000 0.260 160 N C 0.227 175.690 175.510 -0.079 0.000 1.254 160 N CA -0.258 52.760 53.050 -0.054 0.000 0.958 160 N CB 0.007 38.533 38.487 0.065 0.000 1.208 160 N HN 0.283 nan 8.380 nan 0.000 0.532 161 F N 1.358 121.292 119.950 -0.026 0.000 2.628 161 F HA 0.040 4.566 4.527 -0.000 0.000 0.362 161 F C -1.155 174.629 175.800 -0.027 0.000 1.148 161 F CA -0.645 57.331 58.000 -0.040 0.000 1.352 161 F CB -0.317 38.636 39.000 -0.079 0.000 1.081 161 F HN 0.258 nan 8.300 nan 0.000 0.605 162 P HA 0.079 nan 4.420 nan 0.000 0.264 162 P C 0.608 177.962 177.300 0.090 0.000 1.193 162 P CA 0.895 64.053 63.100 0.097 0.000 0.763 162 P CB 0.609 32.357 31.700 0.080 0.000 0.810 163 G N 2.135 110.977 108.800 0.069 0.000 2.176 163 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 163 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 163 G C 0.619 175.563 174.900 0.074 0.000 0.979 163 G CA 0.214 45.351 45.100 0.061 0.000 0.641 163 G HN 0.545 nan 8.290 nan 0.000 0.530 164 L N 1.567 122.840 121.223 0.083 0.000 2.081 164 L HA 0.023 4.363 4.340 -0.000 0.000 0.212 164 L C 2.831 179.766 176.870 0.109 0.000 1.080 164 L CA 3.195 58.087 54.840 0.085 0.000 0.754 164 L CB -0.298 41.820 42.059 0.099 0.000 0.893 164 L HN 0.565 nan 8.230 nan 0.000 0.433 165 K N -1.636 118.818 120.400 0.090 0.000 2.362 165 K HA -0.155 4.165 4.320 -0.000 0.000 0.200 165 K C 0.963 177.609 176.600 0.076 0.000 1.046 165 K CA 1.540 57.875 56.287 0.080 0.000 0.952 165 K CB -0.366 32.169 32.500 0.058 0.000 0.753 165 K HN 0.338 nan 8.250 nan 0.000 0.466 166 D N 0.539 120.989 120.400 0.084 0.000 2.323 166 D HA -0.038 4.602 4.640 -0.000 0.000 0.209 166 D C 0.162 176.515 176.300 0.088 0.000 0.973 166 D CA 0.149 54.189 54.000 0.067 0.000 0.874 166 D CB -0.250 40.586 40.800 0.060 0.000 0.930 166 D HN 0.152 nan 8.370 nan 0.000 0.521 167 F N 1.638 121.577 119.950 -0.018 0.000 2.602 167 F HA 0.151 4.678 4.527 -0.000 0.000 0.385 167 F C 1.244 177.030 175.800 -0.023 0.000 1.063 167 F CA -0.629 57.355 58.000 -0.026 0.000 1.233 167 F CB 0.876 39.852 39.000 -0.040 0.000 1.067 167 F HN -0.115 nan 8.300 nan 0.000 0.564 168 A N 5.015 127.390 122.820 -0.742 0.000 2.195 168 A HA 0.371 4.691 4.320 -0.000 0.000 0.210 168 A C 1.338 178.509 177.584 -0.688 0.000 1.165 168 A CA 0.585 52.299 52.037 -0.539 0.000 0.806 168 A CB -0.989 17.815 19.000 -0.325 0.000 0.847 168 A HN 0.870 nan 8.150 nan 0.000 0.482 169 G N -0.016 107.931 108.800 -1.422 0.000 2.531 169 G HA2 0.370 4.330 3.960 -0.000 0.000 0.253 169 G HA3 0.370 4.330 3.960 -0.000 0.000 0.253 169 G C -0.436 174.325 174.900 -0.231 0.000 1.439 169 G CA -0.767 43.892 45.100 -0.734 0.000 1.056 169 G HN 0.475 nan 8.290 nan 0.000 0.555 170 N N -0.611 118.140 118.700 0.085 0.000 2.444 170 N HA 0.424 5.163 4.740 -0.000 0.000 0.271 170 N C -0.804 174.675 175.510 -0.051 0.000 1.069 170 N CA -0.428 52.597 53.050 -0.042 0.000 0.965 170 N CB 1.976 40.446 38.487 -0.028 0.000 1.092 170 N HN 0.278 nan 8.380 nan 0.000 0.476 171 L N 3.424 124.482 121.223 -0.275 0.000 2.296 171 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 171 L C -1.644 174.893 176.870 -0.556 0.000 1.023 171 L CA -0.584 54.118 54.840 -0.229 0.000 0.812 171 L CB 0.263 42.313 42.059 -0.016 0.000 1.223 171 L HN 0.471 nan 8.230 nan 0.000 0.421 172 Y N 2.816 123.090 120.300 -0.043 0.000 2.524 172 Y HA 0.601 5.151 4.550 -0.000 0.000 0.344 172 Y C -0.636 175.221 175.900 -0.073 0.000 1.012 172 Y CA -0.656 57.391 58.100 -0.088 0.000 1.068 172 Y CB 1.763 40.038 38.460 -0.307 0.000 1.249 172 Y HN 0.564 nan 8.280 nan 0.000 0.468 173 H N -0.792 118.444 119.070 0.277 0.000 2.529 173 H HA 0.238 4.793 4.556 -0.000 0.000 0.348 173 H C 0.789 176.405 175.328 0.479 0.000 1.079 173 H CA -0.323 55.901 56.048 0.293 0.000 1.198 173 H CB 1.800 31.685 29.762 0.206 0.000 1.521 173 H HN 0.749 nan 8.280 nan 0.000 0.514 174 T N -0.804 114.041 114.554 0.485 0.000 2.881 174 T HA -0.120 4.230 4.350 -0.000 0.000 0.270 174 T C 2.149 177.157 174.700 0.513 0.000 1.068 174 T CA 1.045 63.402 62.100 0.427 0.000 1.131 174 T CB -0.293 68.479 68.868 -0.159 0.000 0.871 174 T HN 0.687 nan 8.240 nan 0.000 0.479 175 G N 0.910 109.990 108.800 0.467 0.000 2.650 175 G HA2 0.034 3.994 3.960 -0.000 0.000 0.214 175 G HA3 0.034 3.994 3.960 -0.000 0.000 0.214 175 G C 0.682 175.915 174.900 0.555 0.000 1.136 175 G CA 0.081 45.528 45.100 0.579 0.000 0.789 175 G HN 0.590 nan 8.290 nan 0.000 0.536 176 N N -0.807 118.176 118.700 0.471 0.000 2.700 176 N HA 0.038 4.778 4.740 -0.000 0.000 0.242 176 N C -1.046 174.695 175.510 0.384 0.000 1.541 176 N CA -0.758 52.512 53.050 0.367 0.000 0.764 176 N CB -0.109 38.507 38.487 0.216 0.000 1.319 176 N HN 0.189 nan 8.380 nan 0.000 0.518 177 W N 2.419 123.849 121.300 0.218 0.000 2.202 177 W HA 0.371 5.031 4.660 -0.000 0.000 0.332 177 W C -2.197 174.402 176.519 0.133 0.000 1.263 177 W CA -1.127 56.342 57.345 0.206 0.000 1.223 177 W CB 0.722 30.283 29.460 0.169 0.000 1.128 177 W HN 0.243 nan 8.180 nan 0.000 0.573 178 P HA -0.075 nan 4.420 nan 0.000 0.267 178 P C 0.010 177.394 177.300 0.139 0.000 1.201 178 P CA 0.788 63.894 63.100 0.010 0.000 0.775 178 P CB 0.602 32.232 31.700 -0.117 0.000 0.854 179 H N -0.728 118.405 119.070 0.106 0.000 2.436 179 H HA -0.023 4.533 4.556 -0.000 0.000 0.294 179 H C 0.851 176.242 175.328 0.104 0.000 1.048 179 H CA 0.839 56.952 56.048 0.109 0.000 1.353 179 H CB 0.066 29.871 29.762 0.072 0.000 1.414 179 H HN 0.505 nan 8.280 nan 0.000 0.536 180 E N 1.700 122.015 120.200 0.191 0.000 2.313 180 E HA 0.252 4.602 4.350 -0.000 0.000 0.272 180 E C -2.507 174.158 176.600 0.108 0.000 1.038 180 E CA -2.278 54.196 56.400 0.123 0.000 0.863 180 E CB 1.018 30.768 29.700 0.085 0.000 1.060 180 E HN -0.023 nan 8.360 nan 0.000 0.402 181 P HA 0.011 nan 4.420 nan 0.000 0.268 181 P C -0.959 176.348 177.300 0.012 0.000 1.205 181 P CA -0.278 62.880 63.100 0.097 0.000 0.771 181 P CB 0.681 32.422 31.700 0.068 0.000 0.858 182 V N 2.976 122.874 119.914 -0.027 0.000 2.394 182 V HA 0.230 4.350 4.120 -0.000 0.000 0.282 182 V C 0.051 175.919 176.094 -0.376 0.000 1.031 182 V CA -0.284 61.822 62.300 -0.323 0.000 0.881 182 V CB 1.396 32.800 31.823 -0.699 0.000 0.982 182 V HN 0.492 nan 8.190 nan 0.000 0.451 183 D N 3.307 123.500 120.400 -0.345 0.000 2.329 183 D HA 0.355 4.995 4.640 -0.000 0.000 0.232 183 D C 0.015 176.154 176.300 -0.268 0.000 1.088 183 D CA -0.385 53.496 54.000 -0.198 0.000 0.835 183 D CB 1.100 41.856 40.800 -0.073 0.000 1.078 183 D HN 0.347 nan 8.370 nan 0.000 0.495 184 F N 1.182 121.164 119.950 0.054 0.000 2.693 184 F HA 0.178 4.705 4.527 -0.000 0.000 0.303 184 F C 1.279 177.116 175.800 0.063 0.000 1.097 184 F CA -0.315 57.726 58.000 0.068 0.000 1.330 184 F CB -0.060 38.982 39.000 0.070 0.000 1.067 184 F HN 0.138 nan 8.300 nan 0.000 0.565 185 S N 0.494 116.295 115.700 0.167 0.000 2.563 185 S HA 0.300 4.770 4.470 -0.000 0.000 0.294 185 S C 1.361 176.032 174.600 0.118 0.000 1.279 185 S CA 0.814 59.086 58.200 0.120 0.000 1.069 185 S CB 0.124 63.368 63.200 0.074 0.000 0.828 185 S HN 0.761 nan 8.310 nan 0.000 0.497 186 G N 2.584 111.449 108.800 0.108 0.000 2.179 186 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 186 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 186 G C -0.096 174.880 174.900 0.126 0.000 0.977 186 G CA 0.066 45.226 45.100 0.099 0.000 0.641 186 G HN 0.651 nan 8.290 nan 0.000 0.533 187 Q N -0.329 119.573 119.800 0.169 0.000 2.235 187 Q HA 0.573 4.912 4.340 -0.000 0.000 0.256 187 Q C 0.231 176.356 176.000 0.207 0.000 0.951 187 Q CA -0.803 55.126 55.803 0.209 0.000 0.890 187 Q CB 1.138 30.056 28.738 0.300 0.000 1.279 187 Q HN 0.356 nan 8.270 nan 0.000 0.444 188 R N 1.097 121.737 120.500 0.233 0.000 2.216 188 R HA 0.320 4.660 4.340 -0.000 0.000 0.332 188 R C -0.893 175.587 176.300 0.300 0.000 1.056 188 R CA -0.227 56.045 56.100 0.286 0.000 0.901 188 R CB 0.545 31.039 30.300 0.323 0.000 1.039 188 R HN 0.260 nan 8.270 nan 0.000 0.456 189 V N 1.910 121.976 119.914 0.253 0.000 2.555 189 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 189 V C 0.556 176.787 176.094 0.228 0.000 1.038 189 V CA -0.952 61.453 62.300 0.175 0.000 0.887 189 V CB 2.050 33.827 31.823 -0.077 0.000 0.991 189 V HN 0.901 nan 8.190 nan 0.000 0.434 190 G N 2.255 111.176 108.800 0.201 0.000 2.379 190 G HA2 0.616 4.576 3.960 -0.000 0.000 0.327 190 G HA3 0.616 4.576 3.960 -0.000 0.000 0.327 190 G C -1.224 173.763 174.900 0.145 0.000 1.145 190 G CA -0.482 44.787 45.100 0.281 0.000 0.905 190 G HN 0.548 nan 8.290 nan 0.000 0.466 191 V N 3.538 123.570 119.914 0.197 0.000 2.409 191 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 191 V C -0.179 176.023 176.094 0.180 0.000 1.020 191 V CA -0.550 61.813 62.300 0.105 0.000 0.848 191 V CB 1.417 33.259 31.823 0.032 0.000 0.990 191 V HN 0.633 nan 8.190 nan 0.000 0.430 192 I N 4.617 125.216 120.570 0.049 0.000 2.328 192 I HA 0.756 4.926 4.170 -0.000 0.000 0.287 192 I C 0.624 176.766 176.117 0.042 0.000 1.012 192 I CA -0.089 61.221 61.300 0.018 0.000 1.195 192 I CB 1.418 39.296 38.000 -0.203 0.000 1.350 192 I HN 0.852 nan 8.210 nan 0.000 0.464 193 G N 3.281 112.122 108.800 0.068 0.000 3.187 193 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.682 193 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.682 193 G C -0.223 174.655 174.900 -0.037 0.000 1.266 193 G CA -0.359 44.751 45.100 0.017 0.000 0.902 193 G HN 0.714 nan 8.290 nan 0.000 0.589 194 T N 0.053 114.562 114.554 -0.075 0.000 3.415 194 T HA 0.647 4.996 4.350 -0.000 0.000 0.282 194 T C 1.253 175.666 174.700 -0.480 0.000 1.007 194 T CA 0.894 62.902 62.100 -0.153 0.000 0.958 194 T CB 0.670 69.565 68.868 0.045 0.000 1.171 194 T HN 1.650 nan 8.240 nan 0.000 0.500 195 G N 1.056 109.508 108.800 -0.580 0.000 2.546 195 G HA2 0.340 4.299 3.960 -0.000 0.000 0.239 195 G HA3 0.340 4.299 3.960 -0.000 0.000 0.239 195 G C 1.181 175.835 174.900 -0.411 0.000 1.476 195 G CA 0.087 44.715 45.100 -0.787 0.000 1.064 195 G HN 0.278 nan 8.290 nan 0.000 0.561 196 S N -0.954 114.619 115.700 -0.212 0.000 2.365 196 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 196 S C 2.596 177.114 174.600 -0.137 0.000 1.039 196 S CA 2.351 60.495 58.200 -0.094 0.000 1.033 196 S CB -0.586 62.666 63.200 0.086 0.000 0.887 196 S HN 0.441 nan 8.310 nan 0.000 0.447 197 S N 0.523 116.099 115.700 -0.207 0.000 2.368 197 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 197 S C 2.065 176.385 174.600 -0.467 0.000 1.029 197 S CA 1.085 58.997 58.200 -0.481 0.000 0.988 197 S CB -1.091 61.752 63.200 -0.594 0.000 0.838 197 S HN 0.725 nan 8.310 nan 0.000 0.462 198 G N 1.644 110.246 108.800 -0.331 0.000 2.418 198 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 198 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 198 G C 1.351 176.111 174.900 -0.232 0.000 1.158 198 G CA 0.609 45.566 45.100 -0.238 0.000 0.771 198 G HN 0.470 nan 8.290 nan 0.000 0.545 199 I N 0.201 120.543 120.570 -0.380 0.000 2.226 199 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 199 I C 3.039 178.983 176.117 -0.289 0.000 1.100 199 I CA 1.155 62.089 61.300 -0.611 0.000 1.374 199 I CB -0.198 37.348 38.000 -0.756 0.000 1.057 199 I HN 0.247 nan 8.210 nan 0.000 0.413 200 Q N -0.379 119.316 119.800 -0.175 0.000 2.123 200 Q HA -0.155 4.185 4.340 -0.000 0.000 0.199 200 Q C 2.381 178.372 176.000 -0.015 0.000 0.966 200 Q CA 1.253 57.033 55.803 -0.038 0.000 0.845 200 Q CB -0.074 28.736 28.738 0.119 0.000 0.907 200 Q HN 0.382 nan 8.270 nan 0.000 0.439 201 V N -0.123 119.732 119.914 -0.099 0.000 2.649 201 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 201 V C 1.924 177.954 176.094 -0.107 0.000 1.054 201 V CA 1.442 63.673 62.300 -0.116 0.000 1.073 201 V CB 0.024 31.675 31.823 -0.286 0.000 0.699 201 V HN 0.271 nan 8.190 nan 0.000 0.463 202 S N 0.749 116.399 115.700 -0.084 0.000 2.359 202 S HA -0.095 4.374 4.470 -0.000 0.000 0.224 202 S C -0.218 174.316 174.600 -0.111 0.000 1.035 202 S CA 2.095 60.246 58.200 -0.081 0.000 1.018 202 S CB -1.243 61.960 63.200 0.005 0.000 0.876 202 S HN 0.559 nan 8.310 nan 0.000 0.448 203 P HA -0.060 nan 4.420 nan 0.000 0.220 203 P C 1.446 178.698 177.300 -0.079 0.000 1.148 203 P CA 0.894 63.936 63.100 -0.096 0.000 0.803 203 P CB -0.030 31.640 31.700 -0.049 0.000 0.782 204 Q N -0.522 119.243 119.800 -0.058 0.000 2.046 204 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 204 Q C 2.261 178.250 176.000 -0.020 0.000 0.975 204 Q CA 1.296 57.080 55.803 -0.031 0.000 0.836 204 Q CB -0.928 27.796 28.738 -0.025 0.000 0.896 204 Q HN 0.359 nan 8.270 nan 0.000 0.428 205 I N 0.774 121.303 120.570 -0.069 0.000 2.286 205 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 205 I C 2.265 178.312 176.117 -0.117 0.000 1.115 205 I CA 0.967 62.191 61.300 -0.127 0.000 1.392 205 I CB -0.470 37.329 38.000 -0.335 0.000 1.065 205 I HN 0.038 nan 8.210 nan 0.000 0.418 206 A N 0.835 123.568 122.820 -0.145 0.000 2.024 206 A HA -0.212 4.107 4.320 -0.000 0.000 0.220 206 A C 2.270 179.793 177.584 -0.102 0.000 1.164 206 A CA 1.510 53.447 52.037 -0.166 0.000 0.643 206 A CB -0.428 18.434 19.000 -0.230 0.000 0.806 206 A HN 0.366 nan 8.150 nan 0.000 0.451 207 K N -0.948 119.418 120.400 -0.057 0.000 2.217 207 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 207 K C 2.054 178.658 176.600 0.007 0.000 1.051 207 K CA 1.525 57.797 56.287 -0.025 0.000 0.952 207 K CB -0.055 32.441 32.500 -0.007 0.000 0.736 207 K HN 0.660 nan 8.250 nan 0.000 0.453 208 Q N -0.294 119.531 119.800 0.042 0.000 2.442 208 Q HA 0.200 4.540 4.340 -0.000 0.000 0.228 208 Q C 0.288 176.343 176.000 0.092 0.000 0.902 208 Q CA -0.176 55.681 55.803 0.089 0.000 0.933 208 Q CB 0.475 29.318 28.738 0.175 0.000 1.071 208 Q HN 0.135 nan 8.270 nan 0.000 0.562 209 A N 1.003 123.865 122.820 0.071 0.000 2.520 209 A HA 0.316 4.636 4.320 -0.000 0.000 0.235 209 A C 1.145 178.752 177.584 0.039 0.000 1.065 209 A CA 0.667 52.746 52.037 0.071 0.000 0.764 209 A CB 0.262 19.253 19.000 -0.015 0.000 1.002 209 A HN 0.394 nan 8.150 nan 0.000 0.502 210 A N 1.445 124.309 122.820 0.073 0.000 1.898 210 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 210 A C 0.816 178.419 177.584 0.031 0.000 1.181 210 A CA 1.354 53.425 52.037 0.058 0.000 0.620 210 A CB -0.155 18.898 19.000 0.089 0.000 0.819 210 A HN 0.787 nan 8.150 nan 0.000 0.442 211 E N -1.773 118.453 120.200 0.043 0.000 2.356 211 E HA 0.555 4.905 4.350 -0.000 0.000 0.275 211 E C -1.877 174.672 176.600 -0.085 0.000 0.904 211 E CA -0.638 55.742 56.400 -0.035 0.000 0.757 211 E CB 1.842 31.591 29.700 0.082 0.000 1.232 211 E HN 0.175 nan 8.360 nan 0.000 0.442 212 L N 1.959 123.000 121.223 -0.303 0.000 2.409 212 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 212 L C -1.821 174.791 176.870 -0.430 0.000 0.980 212 L CA -0.392 54.293 54.840 -0.258 0.000 0.826 212 L CB 0.888 42.786 42.059 -0.268 0.000 1.268 212 L HN 0.376 nan 8.230 nan 0.000 0.407 213 F N 4.860 124.767 119.950 -0.072 0.000 2.411 213 F HA 0.600 5.127 4.527 -0.000 0.000 0.352 213 F C -0.057 175.550 175.800 -0.321 0.000 1.123 213 F CA -0.764 57.084 58.000 -0.253 0.000 1.044 213 F CB 1.905 40.675 39.000 -0.384 0.000 1.135 213 F HN 0.112 nan 8.300 nan 0.000 0.461 214 V N 4.745 124.546 119.914 -0.188 0.000 2.347 214 V HA 0.294 4.414 4.120 -0.000 0.000 0.280 214 V C -0.541 175.436 176.094 -0.195 0.000 1.021 214 V CA -0.838 61.433 62.300 -0.049 0.000 0.847 214 V CB 0.843 32.750 31.823 0.141 0.000 0.990 214 V HN 0.465 nan 8.190 nan 0.000 0.444 215 F N 3.812 123.756 119.950 -0.010 0.000 2.335 215 F HA 0.427 4.954 4.527 -0.000 0.000 0.365 215 F C 0.529 176.324 175.800 -0.008 0.000 1.122 215 F CA -0.119 57.845 58.000 -0.060 0.000 1.151 215 F CB 0.922 39.826 39.000 -0.160 0.000 1.282 215 F HN 0.456 nan 8.300 nan 0.000 0.513 216 Q N 5.040 124.918 119.800 0.129 0.000 2.325 216 Q HA 0.327 4.667 4.340 -0.000 0.000 0.262 216 Q C 0.441 176.510 176.000 0.113 0.000 0.968 216 Q CA -0.549 55.326 55.803 0.119 0.000 0.877 216 Q CB 1.509 30.301 28.738 0.089 0.000 1.253 216 Q HN 0.830 nan 8.270 nan 0.000 0.448 217 R N 2.376 122.952 120.500 0.127 0.000 1.981 217 R HA 0.181 4.521 4.340 -0.000 0.000 0.207 217 R C -0.161 176.201 176.300 0.104 0.000 1.375 217 R CA 0.643 56.811 56.100 0.114 0.000 1.068 217 R CB 0.090 30.465 30.300 0.125 0.000 0.890 217 R HN 0.554 nan 8.270 nan 0.000 0.481 218 T N 4.311 118.938 114.554 0.122 0.000 2.743 218 T HA 0.338 4.688 4.350 -0.000 0.000 0.293 218 T C -2.568 172.248 174.700 0.193 0.000 0.945 218 T CA -1.381 60.779 62.100 0.099 0.000 1.030 218 T CB 1.680 70.547 68.868 -0.002 0.000 0.912 218 T HN 0.264 nan 8.240 nan 0.000 0.483 219 P HA 0.329 nan 4.420 nan 0.000 0.276 219 P C -0.708 176.720 177.300 0.214 0.000 1.230 219 P CA -0.398 62.817 63.100 0.192 0.000 0.776 219 P CB 0.451 32.195 31.700 0.074 0.000 0.888 220 H N 1.108 120.240 119.070 0.104 0.000 2.533 220 H HA 0.457 5.012 4.556 -0.000 0.000 0.343 220 H C -0.169 175.252 175.328 0.156 0.000 1.160 220 H CA -0.422 55.727 56.048 0.169 0.000 1.218 220 H CB 0.267 30.101 29.762 0.121 0.000 1.566 220 H HN 0.254 nan 8.280 nan 0.000 0.522 221 F N 0.975 121.190 119.950 0.442 0.000 2.471 221 F HA 0.460 4.987 4.527 -0.000 0.000 0.353 221 F C 0.607 176.641 175.800 0.389 0.000 1.113 221 F CA 0.134 58.389 58.000 0.425 0.000 1.262 221 F CB 0.523 39.831 39.000 0.513 0.000 1.146 221 F HN 0.541 nan 8.300 nan 0.000 0.578 222 A N 2.383 125.577 122.820 0.624 0.000 2.547 222 A HA 0.749 5.069 4.320 -0.000 0.000 0.297 222 A C -1.211 176.644 177.584 0.453 0.000 1.056 222 A CA -0.689 51.595 52.037 0.411 0.000 0.688 222 A CB 1.357 20.478 19.000 0.202 0.000 1.282 222 A HN 0.872 nan 8.150 nan 0.000 0.400 223 V N -1.085 118.953 119.914 0.207 0.000 2.960 223 V HA 0.902 5.022 4.120 -0.000 0.000 0.315 223 V C -3.066 172.868 176.094 -0.266 0.000 1.087 223 V CA -2.884 59.365 62.300 -0.085 0.000 0.982 223 V CB 1.685 33.494 31.823 -0.023 0.000 1.039 223 V HN 0.616 nan 8.190 nan 0.000 0.437 224 P HA 0.299 nan 4.420 nan 0.000 0.271 224 P C 0.541 177.674 177.300 -0.279 0.000 1.216 224 P CA 0.396 63.265 63.100 -0.385 0.000 0.771 224 P CB 1.216 32.590 31.700 -0.543 0.000 0.864 225 A N 4.710 127.399 122.820 -0.218 0.000 1.898 225 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 225 A C 0.709 178.255 177.584 -0.063 0.000 1.181 225 A CA 0.786 52.665 52.037 -0.264 0.000 0.620 225 A CB -0.736 18.101 19.000 -0.272 0.000 0.819 225 A HN 0.514 nan 8.150 nan 0.000 0.442 226 R N -0.494 119.985 120.500 -0.034 0.000 3.333 226 R HA -0.159 4.181 4.340 -0.000 0.000 0.256 226 R C -0.459 175.903 176.300 0.104 0.000 1.010 226 R CA 0.741 56.855 56.100 0.023 0.000 0.680 226 R CB -2.735 27.572 30.300 0.012 0.000 1.102 226 R HN 0.668 nan 8.270 nan 0.000 0.440 227 N N 0.642 119.414 118.700 0.121 0.000 2.416 227 N HA 0.429 5.169 4.740 -0.000 0.000 0.246 227 N C -0.263 175.278 175.510 0.051 0.000 1.260 227 N CA 0.938 54.086 53.050 0.162 0.000 0.897 227 N CB 0.801 39.376 38.487 0.146 0.000 1.110 227 N HN 0.501 nan 8.380 nan 0.000 0.439 228 A N 2.390 125.216 122.820 0.009 0.000 2.608 228 A HA 0.544 4.864 4.320 -0.000 0.000 0.292 228 A C -2.892 174.667 177.584 -0.043 0.000 1.066 228 A CA -1.113 50.909 52.037 -0.025 0.000 0.676 228 A CB 0.843 19.814 19.000 -0.049 0.000 1.277 228 A HN 0.534 nan 8.150 nan 0.000 0.413 229 P HA 0.263 nan 4.420 nan 0.000 0.266 229 P C -0.587 176.679 177.300 -0.056 0.000 1.195 229 P CA -0.027 63.051 63.100 -0.037 0.000 0.768 229 P CB 0.312 31.992 31.700 -0.032 0.000 0.838 230 L N 3.623 124.823 121.223 -0.039 0.000 2.315 230 L HA 0.182 4.522 4.340 -0.000 0.000 0.283 230 L C 0.183 177.051 176.870 -0.003 0.000 1.089 230 L CA -0.314 54.507 54.840 -0.032 0.000 0.833 230 L CB -0.440 41.633 42.059 0.023 0.000 1.170 230 L HN 0.258 nan 8.230 nan 0.000 0.442 231 D N 7.144 127.536 120.400 -0.013 0.000 2.451 231 D HA 0.010 4.650 4.640 -0.000 0.000 0.254 231 D C -1.697 174.640 176.300 0.062 0.000 1.204 231 D CA -1.163 52.847 54.000 0.016 0.000 0.896 231 D CB 1.215 42.020 40.800 0.008 0.000 1.136 231 D HN 0.381 nan 8.370 nan 0.000 0.499 232 P HA -0.156 nan 4.420 nan 0.000 0.218 232 P C 1.034 178.326 177.300 -0.013 0.000 1.148 232 P CA 1.053 64.146 63.100 -0.011 0.000 0.822 232 P CB 0.154 31.832 31.700 -0.036 0.000 0.784 233 E N -1.017 119.186 120.200 0.005 0.000 2.047 233 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 233 E C 1.856 178.455 176.600 -0.003 0.000 0.987 233 E CA 0.826 57.223 56.400 -0.005 0.000 0.799 233 E CB -0.798 28.905 29.700 0.005 0.000 0.752 233 E HN 0.133 nan 8.360 nan 0.000 0.449 234 F N 1.086 120.977 119.950 -0.099 0.000 2.095 234 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 234 F C 2.008 177.709 175.800 -0.164 0.000 1.104 234 F CA 1.546 59.468 58.000 -0.128 0.000 1.232 234 F CB -0.413 38.508 39.000 -0.133 0.000 0.987 234 F HN 0.200 nan 8.300 nan 0.000 0.475 235 L N 0.919 122.036 121.223 -0.177 0.000 2.046 235 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 235 L C 2.458 179.144 176.870 -0.308 0.000 1.077 235 L CA 2.043 56.704 54.840 -0.298 0.000 0.747 235 L CB -1.361 40.664 42.059 -0.056 0.000 0.896 235 L HN 0.188 nan 8.230 nan 0.000 0.432 236 A N -0.772 121.932 122.820 -0.193 0.000 1.902 236 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 236 A C 1.998 179.465 177.584 -0.194 0.000 1.181 236 A CA 1.918 53.864 52.037 -0.152 0.000 0.623 236 A CB -0.837 18.105 19.000 -0.098 0.000 0.818 236 A HN 0.535 nan 8.150 nan 0.000 0.443 237 D N -0.451 119.799 120.400 -0.250 0.000 2.117 237 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 237 D C 1.865 177.950 176.300 -0.357 0.000 0.987 237 D CA 1.402 55.247 54.000 -0.259 0.000 0.829 237 D CB -0.431 40.224 40.800 -0.241 0.000 0.961 237 D HN 0.385 nan 8.370 nan 0.000 0.460 238 L N 1.233 122.091 121.223 -0.608 0.000 2.083 238 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 238 L C 1.832 178.387 176.870 -0.524 0.000 1.083 238 L CA 1.760 56.149 54.840 -0.751 0.000 0.752 238 L CB -0.319 41.006 42.059 -1.223 0.000 0.899 238 L HN -0.169 nan 8.230 nan 0.000 0.433 239 K N -0.359 119.830 120.400 -0.351 0.000 2.211 239 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 239 K C 1.990 178.591 176.600 0.001 0.000 1.047 239 K CA 1.551 57.803 56.287 -0.058 0.000 0.935 239 K CB -0.071 32.431 32.500 0.004 0.000 0.728 239 K HN 0.326 nan 8.250 nan 0.000 0.452 240 K N 0.372 120.733 120.400 -0.065 0.000 2.362 240 K HA -0.135 4.185 4.320 -0.000 0.000 0.200 240 K C 1.104 177.707 176.600 0.006 0.000 1.046 240 K CA 1.111 57.383 56.287 -0.025 0.000 0.952 240 K CB 0.119 32.591 32.500 -0.047 0.000 0.753 240 K HN 0.198 nan 8.250 nan 0.000 0.466 241 R N -2.029 118.469 120.500 -0.003 0.000 2.582 241 R HA 0.124 4.464 4.340 -0.000 0.000 0.453 241 R C 0.530 176.912 176.300 0.137 0.000 0.969 241 R CA -0.351 55.780 56.100 0.053 0.000 1.113 241 R CB -0.548 29.767 30.300 0.026 0.000 1.507 241 R HN -0.110 nan 8.270 nan 0.000 0.587 242 Y N 1.659 121.971 120.300 0.020 0.000 2.224 242 Y HA -0.043 4.507 4.550 -0.000 0.000 0.289 242 Y C 2.426 178.420 175.900 0.156 0.000 1.146 242 Y CA 1.349 59.486 58.100 0.062 0.000 1.182 242 Y CB -0.233 38.238 38.460 0.017 0.000 0.983 242 Y HN 0.394 nan 8.280 nan 0.000 0.524 243 A N -0.311 122.684 122.820 0.293 0.000 1.902 243 A HA -0.246 4.073 4.320 -0.000 0.000 0.217 243 A C 2.288 179.999 177.584 0.211 0.000 1.181 243 A CA 1.861 54.022 52.037 0.205 0.000 0.623 243 A CB -0.809 18.271 19.000 0.134 0.000 0.818 243 A HN 0.548 nan 8.150 nan 0.000 0.443 244 E N -1.406 118.916 120.200 0.203 0.000 2.077 244 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 244 E C 1.785 178.527 176.600 0.236 0.000 0.989 244 E CA 1.328 57.835 56.400 0.179 0.000 0.800 244 E CB -0.243 29.545 29.700 0.147 0.000 0.746 244 E HN 0.622 nan 8.360 nan 0.000 0.452 245 F N 1.083 121.126 119.950 0.156 0.000 2.102 245 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 245 F C 2.463 178.441 175.800 0.297 0.000 1.105 245 F CA 1.580 59.703 58.000 0.205 0.000 1.239 245 F CB 0.005 39.056 39.000 0.085 0.000 0.991 245 F HN -0.135 nan 8.300 nan 0.000 0.474 246 R N 0.025 120.773 120.500 0.413 0.000 2.189 246 R HA -0.106 4.234 4.340 -0.000 0.000 0.218 246 R C 2.066 178.424 176.300 0.096 0.000 1.074 246 R CA 1.004 57.249 56.100 0.240 0.000 0.991 246 R CB -0.269 30.191 30.300 0.268 0.000 0.883 246 R HN 0.237 nan 8.270 nan 0.000 0.457 247 E N 0.793 121.055 120.200 0.104 0.000 2.150 247 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 247 E C 1.187 177.781 176.600 -0.010 0.000 0.985 247 E CA 1.503 57.942 56.400 0.065 0.000 0.814 247 E CB 0.101 29.849 29.700 0.080 0.000 0.752 247 E HN 0.376 nan 8.360 nan 0.000 0.466 248 E N -0.384 119.780 120.200 -0.060 0.000 2.077 248 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 248 E C 2.093 178.466 176.600 -0.378 0.000 0.989 248 E CA 1.371 57.646 56.400 -0.208 0.000 0.800 248 E CB -0.078 29.506 29.700 -0.193 0.000 0.746 248 E HN 0.144 nan 8.360 nan 0.000 0.452 249 S N 0.536 116.002 115.700 -0.390 0.000 2.382 249 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 249 S C 1.766 176.282 174.600 -0.139 0.000 1.027 249 S CA 0.828 58.830 58.200 -0.330 0.000 0.991 249 S CB -0.119 62.965 63.200 -0.193 0.000 0.823 249 S HN 0.204 nan 8.310 nan 0.000 0.469 250 R N 1.376 121.859 120.500 -0.029 0.000 2.189 250 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 250 R C 0.360 176.821 176.300 0.268 0.000 1.092 250 R CA 0.611 56.817 56.100 0.177 0.000 0.989 250 R CB -0.117 30.319 30.300 0.227 0.000 0.876 250 R HN 0.284 nan 8.270 nan 0.000 0.457 251 N N 1.207 119.910 118.700 0.005 0.000 2.558 251 N HA 0.019 4.759 4.740 -0.000 0.000 0.281 251 N C -0.578 174.818 175.510 -0.190 0.000 1.219 251 N CA 0.255 53.166 53.050 -0.232 0.000 0.942 251 N CB 1.041 39.331 38.487 -0.329 0.000 1.241 251 N HN 0.206 nan 8.380 nan 0.000 0.511 252 T N -4.020 110.554 114.554 0.033 0.000 2.865 252 T HA 0.431 4.781 4.350 -0.000 0.000 0.294 252 T C -2.373 172.439 174.700 0.186 0.000 1.119 252 T CA -1.598 60.525 62.100 0.038 0.000 1.007 252 T CB 2.573 71.409 68.868 -0.053 0.000 1.225 252 T HN -0.287 nan 8.240 nan 0.000 0.515 253 P HA 0.159 nan 4.420 nan 0.000 0.219 253 P C 1.308 178.710 177.300 0.171 0.000 1.150 253 P CA 0.938 64.135 63.100 0.162 0.000 0.814 253 P CB -0.116 31.635 31.700 0.085 0.000 0.787 254 G N -2.399 106.462 108.800 0.101 0.000 3.192 254 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 254 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 254 G C 0.942 175.839 174.900 -0.005 0.000 1.084 254 G CA 0.305 45.441 45.100 0.059 0.000 0.784 254 G HN 0.347 nan 8.290 nan 0.000 0.540 255 G N 0.037 108.817 108.800 -0.034 0.000 2.143 255 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.248 255 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.248 255 G C 0.374 175.210 174.900 -0.108 0.000 0.991 255 G CA 1.175 46.173 45.100 -0.170 0.000 0.689 255 G HN 1.552 nan 8.290 nan 0.000 0.522 256 T N -4.573 109.945 114.554 -0.061 0.000 2.838 256 T HA 0.567 4.917 4.350 -0.000 0.000 0.292 256 T C 0.282 174.944 174.700 -0.063 0.000 1.113 256 T CA -0.348 61.748 62.100 -0.007 0.000 1.008 256 T CB 1.324 70.234 68.868 0.070 0.000 1.259 256 T HN 0.140 nan 8.240 nan 0.000 0.520 257 H N 0.021 119.054 119.070 -0.063 0.000 2.787 257 H HA 0.302 4.858 4.556 -0.000 0.000 0.302 257 H C 1.007 176.362 175.328 0.045 0.000 1.098 257 H CA -0.084 55.938 56.048 -0.043 0.000 1.192 257 H CB -0.331 29.401 29.762 -0.050 0.000 1.316 257 H HN 0.314 nan 8.280 nan 0.000 0.590 258 R N 1.212 121.783 120.500 0.119 0.000 2.458 258 R HA -0.044 4.296 4.340 -0.000 0.000 0.303 258 R C -0.574 175.814 176.300 0.146 0.000 1.013 258 R CA -0.418 55.769 56.100 0.145 0.000 1.026 258 R CB -0.094 30.268 30.300 0.104 0.000 0.948 258 R HN 0.309 nan 8.270 nan 0.000 0.417 259 Y N 4.341 124.698 120.300 0.095 0.000 2.721 259 Y HA -0.098 4.452 4.550 -0.000 0.000 0.329 259 Y C -0.398 175.542 175.900 0.066 0.000 1.211 259 Y CA 0.462 58.609 58.100 0.078 0.000 1.512 259 Y CB 0.635 39.147 38.460 0.086 0.000 1.249 259 Y HN 0.502 nan 8.280 nan 0.000 0.549 260 Q N 6.121 125.524 119.800 -0.662 0.000 2.377 260 Q HA 0.263 4.603 4.340 -0.000 0.000 0.249 260 Q C 0.089 175.596 176.000 -0.822 0.000 1.005 260 Q CA -0.076 55.410 55.803 -0.529 0.000 0.912 260 Q CB 1.067 29.622 28.738 -0.304 0.000 1.223 260 Q HN 0.972 nan 8.270 nan 0.000 0.459 261 G N 3.765 112.296 108.800 -0.448 0.000 2.335 261 G HA2 0.213 4.173 3.960 -0.000 0.000 0.268 261 G HA3 0.213 4.173 3.960 -0.000 0.000 0.268 261 G C -1.610 173.233 174.900 -0.095 0.000 1.228 261 G CA -0.834 44.152 45.100 -0.190 0.000 0.968 261 G HN 0.375 nan 8.290 nan 0.000 0.459 262 P HA -0.025 nan 4.420 nan 0.000 0.219 262 P C 0.788 178.136 177.300 0.079 0.000 1.150 262 P CA 0.909 64.019 63.100 0.017 0.000 0.814 262 P CB 0.365 32.094 31.700 0.050 0.000 0.787 263 K N -0.165 120.333 120.400 0.163 0.000 2.090 263 K HA 0.338 4.658 4.320 -0.000 0.000 0.250 263 K C 0.464 177.206 176.600 0.236 0.000 1.004 263 K CA -0.423 55.991 56.287 0.211 0.000 0.919 263 K CB 0.650 33.331 32.500 0.303 0.000 1.045 263 K HN -0.127 nan 8.250 nan 0.000 0.471 264 S N 0.405 116.160 115.700 0.091 0.000 2.545 264 S HA 0.209 4.679 4.470 -0.000 0.000 0.275 264 S C 1.021 175.465 174.600 -0.259 0.000 1.299 264 S CA -0.332 57.858 58.200 -0.016 0.000 1.048 264 S CB 1.154 64.329 63.200 -0.042 0.000 0.938 264 S HN 0.631 nan 8.310 nan 0.000 0.496 265 A N 4.689 127.252 122.820 -0.428 0.000 2.125 265 A HA 0.061 4.380 4.320 -0.000 0.000 0.219 265 A C 1.750 179.048 177.584 -0.477 0.000 1.156 265 A CA 1.075 52.589 52.037 -0.872 0.000 0.671 265 A CB -0.539 18.152 19.000 -0.515 0.000 0.794 265 A HN 0.864 nan 8.150 nan 0.000 0.459 266 L N -0.708 120.355 121.223 -0.266 0.000 2.446 266 L HA -0.011 4.329 4.340 -0.000 0.000 0.219 266 L C 2.370 179.158 176.870 -0.137 0.000 1.116 266 L CA 1.040 55.779 54.840 -0.169 0.000 0.844 266 L CB -0.154 41.840 42.059 -0.109 0.000 0.970 266 L HN 0.670 nan 8.230 nan 0.000 0.457 267 E N 1.297 121.413 120.200 -0.140 0.000 2.442 267 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 267 E C 0.543 177.099 176.600 -0.074 0.000 1.030 267 E CA 0.159 56.510 56.400 -0.082 0.000 0.869 267 E CB 0.372 30.044 29.700 -0.047 0.000 0.857 267 E HN 0.273 nan 8.360 nan 0.000 0.505 268 V N 0.522 120.365 119.914 -0.119 0.000 2.837 268 V HA 0.414 4.533 4.120 -0.000 0.000 0.310 268 V C 0.386 176.442 176.094 -0.064 0.000 1.059 268 V CA -0.631 61.626 62.300 -0.073 0.000 1.004 268 V CB 1.416 33.201 31.823 -0.062 0.000 1.045 268 V HN 0.251 nan 8.190 nan 0.000 0.465 269 S N 0.964 116.645 115.700 -0.030 0.000 2.579 269 S HA 0.112 4.582 4.470 -0.000 0.000 0.275 269 S C 0.631 175.217 174.600 -0.024 0.000 1.345 269 S CA 0.094 58.280 58.200 -0.024 0.000 1.031 269 S CB 0.704 63.899 63.200 -0.008 0.000 0.892 269 S HN 0.811 nan 8.310 nan 0.000 0.529 270 D N 1.016 121.403 120.400 -0.021 0.000 2.220 270 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 270 D C 1.662 177.968 176.300 0.009 0.000 1.001 270 D CA 1.730 55.724 54.000 -0.010 0.000 0.875 270 D CB -0.196 40.601 40.800 -0.006 0.000 0.921 270 D HN 0.789 nan 8.370 nan 0.000 0.454 271 E N 0.626 120.832 120.200 0.010 0.000 2.046 271 E HA -0.116 4.233 4.350 -0.000 0.000 0.190 271 E C 1.895 178.512 176.600 0.028 0.000 0.982 271 E CA 0.995 57.407 56.400 0.020 0.000 0.800 271 E CB -0.083 29.625 29.700 0.014 0.000 0.756 271 E HN 0.344 nan 8.360 nan 0.000 0.449 272 E N -0.442 119.774 120.200 0.028 0.000 2.072 272 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 272 E C 2.156 178.799 176.600 0.072 0.000 0.982 272 E CA 0.771 57.200 56.400 0.049 0.000 0.803 272 E CB -0.125 29.608 29.700 0.055 0.000 0.755 272 E HN 0.238 nan 8.360 nan 0.000 0.453 273 L N 0.475 121.727 121.223 0.048 0.000 1.990 273 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 273 L C 2.338 179.189 176.870 -0.033 0.000 1.072 273 L CA 1.505 56.367 54.840 0.037 0.000 0.755 273 L CB -0.454 41.577 42.059 -0.047 0.000 0.889 273 L HN 0.025 nan 8.230 nan 0.000 0.432 274 V N -0.260 119.659 119.914 0.008 0.000 2.343 274 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 274 V C 2.571 178.691 176.094 0.044 0.000 1.051 274 V CA 2.131 64.472 62.300 0.067 0.000 1.036 274 V CB -0.598 31.318 31.823 0.156 0.000 0.654 274 V HN 0.622 nan 8.190 nan 0.000 0.451 275 E N -0.382 119.844 120.200 0.043 0.000 2.051 275 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 275 E C 2.227 178.844 176.600 0.027 0.000 0.991 275 E CA 1.916 58.341 56.400 0.042 0.000 0.799 275 E CB -0.103 29.618 29.700 0.035 0.000 0.748 275 E HN 0.608 nan 8.360 nan 0.000 0.449 276 T N 1.354 115.926 114.554 0.031 0.000 2.701 276 T HA -0.080 4.269 4.350 -0.000 0.000 0.263 276 T C 1.897 176.642 174.700 0.075 0.000 1.040 276 T CA 1.092 63.224 62.100 0.053 0.000 1.147 276 T CB -0.179 68.750 68.868 0.101 0.000 0.865 276 T HN 0.150 nan 8.240 nan 0.000 0.426 277 L N 0.832 121.977 121.223 -0.130 0.000 2.131 277 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 277 L C 2.718 179.503 176.870 -0.142 0.000 1.092 277 L CA 1.172 55.779 54.840 -0.387 0.000 0.759 277 L CB -0.480 40.789 42.059 -1.317 0.000 0.903 277 L HN 0.265 nan 8.230 nan 0.000 0.435 278 E N 0.785 120.995 120.200 0.016 0.000 2.106 278 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 278 E C 2.241 178.995 176.600 0.257 0.000 0.984 278 E CA 1.104 57.695 56.400 0.318 0.000 0.806 278 E CB -0.038 29.818 29.700 0.260 0.000 0.750 278 E HN 0.182 nan 8.360 nan 0.000 0.458 279 R N -1.161 119.412 120.500 0.121 0.000 2.091 279 R HA -0.185 4.154 4.340 -0.000 0.000 0.238 279 R C 2.044 178.352 176.300 0.014 0.000 1.136 279 R CA 1.749 57.858 56.100 0.016 0.000 0.959 279 R CB -0.416 29.816 30.300 -0.112 0.000 0.856 279 R HN 0.315 nan 8.270 nan 0.000 0.437 280 Y N -0.950 119.399 120.300 0.082 0.000 2.181 280 Y HA -0.285 4.265 4.550 0.000 0.000 0.288 280 Y C 2.250 178.261 175.900 0.185 0.000 1.146 280 Y CA 1.503 59.665 58.100 0.102 0.000 1.164 280 Y CB -0.354 38.152 38.460 0.077 0.000 0.982 280 Y HN 0.296 nan 8.280 nan 0.000 0.515 281 W N 0.928 122.381 121.300 0.255 0.000 2.363 281 W HA -0.224 4.436 4.660 -0.000 0.000 0.296 281 W C 1.550 178.163 176.519 0.156 0.000 1.212 281 W CA 1.706 59.191 57.345 0.234 0.000 1.260 281 W CB 0.003 29.647 29.460 0.307 0.000 1.131 281 W HN 0.206 nan 8.180 nan 0.000 0.530 282 Q N 0.114 120.088 119.800 0.290 0.000 2.187 282 Q HA -0.122 4.218 4.340 -0.000 0.000 0.199 282 Q C 1.873 177.905 176.000 0.053 0.000 0.957 282 Q CA 1.269 57.164 55.803 0.154 0.000 0.857 282 Q CB -0.455 28.368 28.738 0.142 0.000 0.929 282 Q HN 0.458 nan 8.270 nan 0.000 0.453 283 E N -0.133 120.091 120.200 0.041 0.000 2.072 283 E HA 0.069 4.418 4.350 -0.000 0.000 0.190 283 E C 0.481 177.096 176.600 0.025 0.000 0.982 283 E CA 0.694 57.096 56.400 0.004 0.000 0.803 283 E CB 0.126 29.802 29.700 -0.040 0.000 0.755 283 E HN 0.400 nan 8.360 nan 0.000 0.453 284 G N -0.870 107.947 108.800 0.028 0.000 2.781 284 G HA2 0.172 4.132 3.960 -0.000 0.000 0.683 284 G HA3 0.172 4.132 3.960 -0.000 0.000 0.683 284 G C 0.266 175.210 174.900 0.072 0.000 1.390 284 G CA -0.629 44.462 45.100 -0.015 0.000 0.850 284 G HN 0.857 nan 8.290 nan 0.000 0.557 285 G N -0.847 107.950 108.800 -0.005 0.000 2.710 285 G HA2 0.315 4.275 3.960 -0.000 0.000 0.668 285 G HA3 0.315 4.275 3.960 -0.000 0.000 0.668 285 G C -1.048 173.890 174.900 0.062 0.000 1.320 285 G CA 0.536 45.654 45.100 0.030 0.000 0.860 285 G HN 1.448 nan 8.290 nan 0.000 0.538 286 P HA 0.169 nan 4.420 nan 0.000 0.249 286 P C 0.586 177.954 177.300 0.112 0.000 1.229 286 P CA 0.790 63.938 63.100 0.081 0.000 0.788 286 P CB 0.192 31.922 31.700 0.049 0.000 1.072 287 D N 0.231 120.736 120.400 0.175 0.000 2.309 287 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 287 D C 1.765 178.103 176.300 0.063 0.000 0.968 287 D CA 0.493 54.619 54.000 0.211 0.000 0.882 287 D CB -0.667 40.342 40.800 0.347 0.000 0.918 287 D HN 0.248 nan 8.370 nan 0.000 0.503 288 I N 0.355 120.907 120.570 -0.029 0.000 2.423 288 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 288 I C 1.773 177.759 176.117 -0.218 0.000 1.151 288 I CA 0.748 61.798 61.300 -0.418 0.000 1.421 288 I CB 0.119 38.093 38.000 -0.043 0.000 1.079 288 I HN -0.017 nan 8.210 nan 0.000 0.431 289 L N 0.702 121.911 121.223 -0.022 0.000 2.261 289 L HA -0.154 4.186 4.340 -0.000 0.000 0.216 289 L C 1.890 178.736 176.870 -0.040 0.000 1.114 289 L CA 1.135 55.977 54.840 0.003 0.000 0.777 289 L CB -0.504 41.538 42.059 -0.029 0.000 0.910 289 L HN 0.334 nan 8.230 nan 0.000 0.440 290 A N -1.242 121.523 122.820 -0.091 0.000 2.637 290 A HA 0.558 4.878 4.320 -0.000 0.000 0.293 290 A C 1.869 179.356 177.584 -0.162 0.000 1.216 290 A CA 0.422 52.409 52.037 -0.083 0.000 0.956 290 A CB -0.058 18.920 19.000 -0.036 0.000 1.174 290 A HN 0.203 nan 8.150 nan 0.000 0.525 291 A N -0.453 122.139 122.820 -0.380 0.000 1.933 291 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 291 A C 0.601 177.775 177.584 -0.685 0.000 1.175 291 A CA 1.263 52.923 52.037 -0.628 0.000 0.628 291 A CB -0.280 18.171 19.000 -0.914 0.000 0.814 291 A HN 0.526 nan 8.150 nan 0.000 0.444 292 Y N -2.322 117.945 120.300 -0.054 0.000 2.576 292 Y HA 0.471 5.021 4.550 -0.000 0.000 0.346 292 Y C 1.126 177.002 175.900 -0.039 0.000 1.018 292 Y CA -0.742 57.341 58.100 -0.028 0.000 1.050 292 Y CB 1.423 39.862 38.460 -0.035 0.000 1.280 292 Y HN 0.239 nan 8.280 nan 0.000 0.474 293 R N -0.383 120.197 120.500 0.133 0.000 2.235 293 R HA -0.034 4.305 4.340 -0.000 0.000 0.213 293 R C -0.235 176.084 176.300 0.031 0.000 1.059 293 R CA 1.820 57.947 56.100 0.045 0.000 0.997 293 R CB -0.131 30.185 30.300 0.026 0.000 0.884 293 R HN 0.645 nan 8.270 nan 0.000 0.462 294 D N 0.288 120.716 120.400 0.046 0.000 2.501 294 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 294 D C 1.329 177.627 176.300 -0.003 0.000 1.202 294 D CA -0.352 53.651 54.000 0.005 0.000 0.829 294 D CB -0.151 40.643 40.800 -0.010 0.000 1.023 294 D HN 0.300 nan 8.370 nan 0.000 0.499 295 I N 0.107 120.691 120.570 0.024 0.000 2.264 295 I HA -0.213 3.956 4.170 -0.000 0.000 0.248 295 I C 1.777 177.869 176.117 -0.042 0.000 1.111 295 I CA 1.152 62.466 61.300 0.023 0.000 1.382 295 I CB 0.014 38.061 38.000 0.079 0.000 1.060 295 I HN 0.011 nan 8.210 nan 0.000 0.418 296 L N -0.351 120.818 121.223 -0.089 0.000 2.667 296 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 296 L C 2.041 178.813 176.870 -0.162 0.000 1.138 296 L CA 0.132 54.852 54.840 -0.199 0.000 0.921 296 L CB -0.046 41.827 42.059 -0.309 0.000 1.180 296 L HN 0.053 nan 8.230 nan 0.000 0.487 297 R N -1.249 119.196 120.500 -0.091 0.000 2.221 297 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 297 R C 0.162 176.425 176.300 -0.060 0.000 0.956 297 R CA 0.142 56.199 56.100 -0.073 0.000 1.064 297 R CB 0.582 30.851 30.300 -0.053 0.000 1.049 297 R HN 0.023 nan 8.270 nan 0.000 0.534 298 D N 0.219 120.588 120.400 -0.052 0.000 2.408 298 D HA 0.138 4.777 4.640 -0.000 0.000 0.243 298 D C 0.222 176.499 176.300 -0.038 0.000 1.075 298 D CA -0.283 53.692 54.000 -0.042 0.000 0.832 298 D CB 1.756 42.532 40.800 -0.040 0.000 1.162 298 D HN -0.137 nan 8.370 nan 0.000 0.515 299 R N 2.476 122.958 120.500 -0.030 0.000 2.091 299 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 299 R C 0.841 177.128 176.300 -0.022 0.000 1.136 299 R CA 1.772 57.860 56.100 -0.020 0.000 0.959 299 R CB 0.272 30.565 30.300 -0.012 0.000 0.856 299 R HN 0.466 nan 8.270 nan 0.000 0.437 300 D N -0.312 120.071 120.400 -0.030 0.000 2.162 300 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 300 D C 1.698 177.968 176.300 -0.050 0.000 0.967 300 D CA 1.219 55.197 54.000 -0.036 0.000 0.840 300 D CB -0.209 40.568 40.800 -0.039 0.000 0.972 300 D HN 0.347 nan 8.370 nan 0.000 0.482 301 A N 1.384 124.171 122.820 -0.055 0.000 1.902 301 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 301 A C 2.046 179.601 177.584 -0.048 0.000 1.181 301 A CA 1.436 53.431 52.037 -0.070 0.000 0.623 301 A CB -0.664 18.299 19.000 -0.061 0.000 0.818 301 A HN 0.176 nan 8.150 nan 0.000 0.443 302 N N -0.327 118.357 118.700 -0.027 0.000 2.058 302 N HA -0.214 4.525 4.740 -0.000 0.000 0.191 302 N C 1.821 177.317 175.510 -0.023 0.000 1.037 302 N CA 1.845 54.894 53.050 -0.002 0.000 0.848 302 N CB -0.184 38.302 38.487 -0.001 0.000 1.021 302 N HN 0.493 nan 8.380 nan 0.000 0.422 303 E N 1.174 121.359 120.200 -0.025 0.000 2.118 303 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 303 E C 2.155 178.731 176.600 -0.041 0.000 0.992 303 E CA 1.096 57.481 56.400 -0.025 0.000 0.804 303 E CB -0.138 29.552 29.700 -0.016 0.000 0.741 303 E HN 0.253 nan 8.360 nan 0.000 0.458 304 R N -0.614 119.854 120.500 -0.053 0.000 2.073 304 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 304 R C 2.244 178.508 176.300 -0.059 0.000 1.134 304 R CA 1.541 57.604 56.100 -0.061 0.000 0.952 304 R CB -0.235 30.009 30.300 -0.093 0.000 0.850 304 R HN 0.151 nan 8.270 nan 0.000 0.433 305 V N 0.638 120.499 119.914 -0.088 0.000 2.358 305 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 305 V C 2.409 178.356 176.094 -0.245 0.000 1.047 305 V CA 1.767 63.982 62.300 -0.142 0.000 1.035 305 V CB -0.651 31.087 31.823 -0.141 0.000 0.658 305 V HN 0.442 nan 8.190 nan 0.000 0.452 306 A N 0.056 122.717 122.820 -0.265 0.000 1.892 306 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 306 A C 2.197 179.761 177.584 -0.033 0.000 1.188 306 A CA 2.291 54.184 52.037 -0.239 0.000 0.631 306 A CB -0.553 18.400 19.000 -0.079 0.000 0.822 306 A HN 0.531 nan 8.150 nan 0.000 0.447 307 E N -0.738 119.448 120.200 -0.024 0.000 2.077 307 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 307 E C 1.649 178.226 176.600 -0.039 0.000 0.989 307 E CA 1.445 57.832 56.400 -0.021 0.000 0.800 307 E CB -0.533 29.154 29.700 -0.022 0.000 0.746 307 E HN 0.591 nan 8.360 nan 0.000 0.452 308 F N 0.273 120.128 119.950 -0.157 0.000 2.120 308 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 308 F C 1.900 177.541 175.800 -0.266 0.000 1.095 308 F CA 1.578 59.463 58.000 -0.192 0.000 1.249 308 F CB -0.141 38.761 39.000 -0.164 0.000 0.995 308 F HN 0.051 nan 8.300 nan 0.000 0.480 309 I N 0.072 120.575 120.570 -0.111 0.000 2.286 309 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 309 I C 2.522 178.490 176.117 -0.248 0.000 1.104 309 I CA 1.100 62.287 61.300 -0.189 0.000 1.397 309 I CB -0.494 37.531 38.000 0.043 0.000 1.072 309 I HN -0.004 nan 8.210 nan 0.000 0.417 310 R N 0.713 121.139 120.500 -0.122 0.000 2.103 310 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 310 R C 2.002 178.139 176.300 -0.273 0.000 1.142 310 R CA 1.747 57.749 56.100 -0.163 0.000 0.960 310 R CB -0.507 29.736 30.300 -0.095 0.000 0.858 310 R HN 0.409 nan 8.270 nan 0.000 0.439 311 N N 0.381 118.878 118.700 -0.338 0.000 2.331 311 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 311 N C 1.376 176.581 175.510 -0.508 0.000 1.019 311 N CA 0.904 53.723 53.050 -0.384 0.000 0.881 311 N CB -0.010 38.252 38.487 -0.375 0.000 0.972 311 N HN 0.113 nan 8.380 nan 0.000 0.435 312 K N 1.000 120.959 120.400 -0.736 0.000 2.097 312 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 312 K C 2.094 178.397 176.600 -0.495 0.000 1.050 312 K CA 0.448 56.249 56.287 -0.809 0.000 0.938 312 K CB -0.345 31.274 32.500 -1.469 0.000 0.718 312 K HN 0.274 nan 8.250 nan 0.000 0.442 313 I N 0.841 121.128 120.570 -0.471 0.000 2.163 313 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 313 I C 2.476 178.420 176.117 -0.288 0.000 1.081 313 I CA 1.200 62.217 61.300 -0.472 0.000 1.353 313 I CB -0.218 37.460 38.000 -0.538 0.000 1.054 313 I HN 0.110 nan 8.210 nan 0.000 0.407 314 R N 0.558 120.906 120.500 -0.254 0.000 2.103 314 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 314 R C 2.163 178.368 176.300 -0.158 0.000 1.142 314 R CA 1.825 57.815 56.100 -0.183 0.000 0.960 314 R CB -0.751 29.445 30.300 -0.173 0.000 0.858 314 R HN 0.506 nan 8.270 nan 0.000 0.439 315 N N -0.096 118.487 118.700 -0.195 0.000 2.244 315 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 315 N C 0.958 176.410 175.510 -0.096 0.000 1.016 315 N CA 1.403 54.359 53.050 -0.156 0.000 0.866 315 N CB 0.192 38.554 38.487 -0.209 0.000 0.980 315 N HN 0.142 nan 8.380 nan 0.000 0.430 316 T N 0.333 114.837 114.554 -0.084 0.000 2.894 316 T HA 0.086 4.436 4.350 -0.000 0.000 0.258 316 T C 0.666 175.379 174.700 0.022 0.000 1.043 316 T CA 0.221 62.324 62.100 0.005 0.000 1.141 316 T CB 0.299 69.214 68.868 0.079 0.000 0.873 316 T HN -0.066 nan 8.240 nan 0.000 0.449 317 V N 3.603 123.517 119.914 -0.001 0.000 2.408 317 V HA 0.205 4.325 4.120 -0.000 0.000 0.267 317 V C 1.264 177.350 176.094 -0.013 0.000 1.047 317 V CA -0.311 61.999 62.300 0.017 0.000 0.937 317 V CB 1.043 32.867 31.823 0.001 0.000 0.999 317 V HN 0.346 nan 8.190 nan 0.000 0.472 318 R N 1.983 122.483 120.500 -0.000 0.000 2.083 318 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 318 R C 0.847 177.136 176.300 -0.018 0.000 1.137 318 R CA 1.018 57.112 56.100 -0.011 0.000 0.951 318 R CB -0.040 30.258 30.300 -0.004 0.000 0.851 318 R HN 0.714 nan 8.270 nan 0.000 0.434 319 D N 1.092 121.484 120.400 -0.012 0.000 2.346 319 D HA 0.035 4.675 4.640 -0.000 0.000 0.260 319 D C -1.815 174.465 176.300 -0.034 0.000 1.252 319 D CA -2.026 51.964 54.000 -0.017 0.000 0.895 319 D CB 1.492 42.289 40.800 -0.005 0.000 1.097 319 D HN -0.066 nan 8.370 nan 0.000 0.489 320 P HA -0.082 nan 4.420 nan 0.000 0.221 320 P C 1.066 178.335 177.300 -0.053 0.000 1.150 320 P CA 0.715 63.785 63.100 -0.050 0.000 0.800 320 P CB 0.417 32.090 31.700 -0.044 0.000 0.787 321 E N -0.125 120.051 120.200 -0.041 0.000 2.047 321 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 321 E C 1.814 178.380 176.600 -0.056 0.000 0.987 321 E CA 1.142 57.518 56.400 -0.040 0.000 0.799 321 E CB -0.617 29.069 29.700 -0.024 0.000 0.752 321 E HN -0.120 nan 8.360 nan 0.000 0.449 322 V N 1.320 121.198 119.914 -0.059 0.000 2.295 322 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 322 V C 2.465 178.473 176.094 -0.143 0.000 1.049 322 V CA 1.857 64.098 62.300 -0.099 0.000 1.024 322 V CB -0.960 30.817 31.823 -0.076 0.000 0.648 322 V HN 0.498 nan 8.190 nan 0.000 0.447 323 A N -0.158 122.593 122.820 -0.114 0.000 1.892 323 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 323 A C 2.186 179.693 177.584 -0.129 0.000 1.188 323 A CA 2.254 54.215 52.037 -0.127 0.000 0.631 323 A CB -0.602 18.334 19.000 -0.107 0.000 0.822 323 A HN 0.535 nan 8.150 nan 0.000 0.447 324 E N -0.054 120.084 120.200 -0.104 0.000 2.153 324 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 324 E C 2.136 178.682 176.600 -0.089 0.000 0.988 324 E CA 1.293 57.637 56.400 -0.092 0.000 0.811 324 E CB -0.213 29.445 29.700 -0.071 0.000 0.746 324 E HN 0.621 nan 8.360 nan 0.000 0.466 325 R N -0.580 119.863 120.500 -0.095 0.000 2.189 325 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 325 R C 1.970 178.212 176.300 -0.096 0.000 1.092 325 R CA 0.850 56.898 56.100 -0.086 0.000 0.989 325 R CB -0.114 30.133 30.300 -0.089 0.000 0.876 325 R HN 0.235 nan 8.270 nan 0.000 0.457 326 L N 0.485 121.631 121.223 -0.128 0.000 2.509 326 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 326 L C 0.295 177.138 176.870 -0.045 0.000 1.123 326 L CA -0.086 54.704 54.840 -0.084 0.000 0.856 326 L CB 0.414 42.400 42.059 -0.121 0.000 0.985 326 L HN -0.106 nan 8.230 nan 0.000 0.456 327 V N 2.057 121.908 119.914 -0.105 0.000 2.439 327 V HA 0.115 4.235 4.120 -0.000 0.000 0.271 327 V C -1.978 174.003 176.094 -0.188 0.000 1.040 327 V CA -1.269 60.940 62.300 -0.153 0.000 1.002 327 V CB 0.491 32.228 31.823 -0.142 0.000 1.000 327 V HN 0.009 nan 8.190 nan 0.000 0.477 328 P HA 0.312 nan 4.420 nan 0.000 0.271 328 P C -0.722 176.334 177.300 -0.407 0.000 1.220 328 P CA -0.124 62.681 63.100 -0.492 0.000 0.768 328 P CB 0.497 31.435 31.700 -1.271 0.000 0.848 329 K N 1.541 121.808 120.400 -0.221 0.000 2.469 329 K HA 0.585 4.905 4.320 -0.000 0.000 0.254 329 K C 0.547 177.134 176.600 -0.021 0.000 0.939 329 K CA -0.564 55.651 56.287 -0.119 0.000 0.812 329 K CB 2.073 34.541 32.500 -0.053 0.000 1.301 329 K HN 0.590 nan 8.250 nan 0.000 0.433 330 G N 1.045 109.843 108.800 -0.003 0.000 2.258 330 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.233 330 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.233 330 G C -0.585 174.412 174.900 0.161 0.000 1.006 330 G CA 0.641 45.793 45.100 0.087 0.000 0.620 330 G HN 0.628 nan 8.290 nan 0.000 0.511 331 Y N 0.394 120.756 120.300 0.102 0.000 2.536 331 Y HA 0.851 5.401 4.550 -0.000 0.000 0.347 331 Y C -2.521 173.507 175.900 0.214 0.000 1.000 331 Y CA -2.792 55.381 58.100 0.123 0.000 1.051 331 Y CB 0.956 39.467 38.460 0.085 0.000 1.259 331 Y HN 0.103 nan 8.280 nan 0.000 0.468 332 P HA 0.167 nan 4.420 nan 0.000 0.274 332 P C -1.241 176.151 177.300 0.152 0.000 1.246 332 P CA -0.103 63.081 63.100 0.141 0.000 0.795 332 P CB 0.942 32.699 31.700 0.094 0.000 1.006 333 F N 0.487 120.290 119.950 -0.244 0.000 2.404 333 F HA 0.502 5.029 4.527 -0.000 0.000 0.345 333 F C 1.115 176.777 175.800 -0.231 0.000 1.110 333 F CA 0.680 58.350 58.000 -0.551 0.000 1.130 333 F CB 0.571 38.993 39.000 -0.964 0.000 1.129 333 F HN 0.691 nan 8.300 nan 0.000 0.500 334 G N 3.238 111.488 108.800 -0.916 0.000 2.137 334 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.237 334 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.237 334 G C 0.634 175.355 174.900 -0.299 0.000 1.002 334 G CA 0.550 45.143 45.100 -0.845 0.000 0.702 334 G HN 1.252 nan 8.290 nan 0.000 0.515 335 T N -2.948 111.544 114.554 -0.103 0.000 3.129 335 T HA 0.476 4.826 4.350 -0.000 0.000 0.251 335 T C 0.857 175.871 174.700 0.524 0.000 1.117 335 T CA 1.095 63.262 62.100 0.112 0.000 1.034 335 T CB 0.630 69.575 68.868 0.127 0.000 0.968 335 T HN 0.540 nan 8.240 nan 0.000 0.526 336 K N 0.381 120.956 120.400 0.291 0.000 2.378 336 K HA 0.539 4.858 4.320 -0.000 0.000 0.244 336 K C -0.511 176.210 176.600 0.200 0.000 1.039 336 K CA -1.204 55.273 56.287 0.317 0.000 0.863 336 K CB 1.777 34.347 32.500 0.116 0.000 1.326 336 K HN -0.036 nan 8.250 nan 0.000 0.460 337 R N 1.556 122.168 120.500 0.188 0.000 2.537 337 R HA -0.032 4.307 4.340 -0.000 0.000 0.281 337 R C -0.550 175.792 176.300 0.070 0.000 0.988 337 R CA -0.269 55.894 56.100 0.105 0.000 1.077 337 R CB 0.093 30.442 30.300 0.080 0.000 0.932 337 R HN 0.321 nan 8.270 nan 0.000 0.409 338 L N 6.724 127.966 121.223 0.031 0.000 2.410 338 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 338 L C -0.383 176.515 176.870 0.046 0.000 1.144 338 L CA 0.303 55.164 54.840 0.036 0.000 0.863 338 L CB 0.628 42.694 42.059 0.012 0.000 1.140 338 L HN 0.550 nan 8.230 nan 0.000 0.463 339 I N 6.211 126.832 120.570 0.084 0.000 2.471 339 I HA 0.107 4.276 4.170 -0.000 0.000 0.286 339 I C -0.107 176.005 176.117 -0.007 0.000 1.079 339 I CA -0.099 61.219 61.300 0.031 0.000 1.398 339 I CB 0.343 38.363 38.000 0.034 0.000 1.403 339 I HN 0.413 nan 8.210 nan 0.000 0.530 340 L N 7.025 128.194 121.223 -0.091 0.000 2.290 340 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 340 L C 0.024 176.813 176.870 -0.135 0.000 1.078 340 L CA -0.619 54.127 54.840 -0.157 0.000 0.815 340 L CB 0.678 42.542 42.059 -0.326 0.000 1.162 340 L HN 0.621 nan 8.230 nan 0.000 0.435 341 E N 3.454 123.587 120.200 -0.112 0.000 2.221 341 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 341 E C -0.843 175.718 176.600 -0.066 0.000 0.933 341 E CA -0.632 55.713 56.400 -0.092 0.000 0.809 341 E CB 2.174 31.823 29.700 -0.085 0.000 1.190 341 E HN 0.444 nan 8.360 nan 0.000 0.406 342 I N 2.328 122.877 120.570 -0.036 0.000 2.464 342 I HA 0.213 4.382 4.170 -0.000 0.000 0.277 342 I C -0.771 175.351 176.117 0.009 0.000 1.040 342 I CA -0.637 60.652 61.300 -0.019 0.000 1.153 342 I CB 0.750 38.734 38.000 -0.026 0.000 1.274 342 I HN 0.568 nan 8.210 nan 0.000 0.469 343 D N 3.179 123.600 120.400 0.034 0.000 2.772 343 D HA -0.285 4.354 4.640 -0.000 0.000 0.233 343 D C 0.577 176.887 176.300 0.016 0.000 1.143 343 D CA 1.041 55.064 54.000 0.039 0.000 0.700 343 D CB -1.167 39.635 40.800 0.003 0.000 1.076 343 D HN 0.661 nan 8.370 nan 0.000 0.430 344 Y N -0.089 120.136 120.300 -0.125 0.000 2.220 344 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 344 Y C 1.900 177.741 175.900 -0.098 0.000 1.129 344 Y CA 1.590 59.562 58.100 -0.214 0.000 1.161 344 Y CB -0.230 38.020 38.460 -0.350 0.000 0.997 344 Y HN 0.101 nan 8.280 nan 0.000 0.522 345 Y N 0.657 121.055 120.300 0.164 0.000 2.200 345 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 345 Y C 2.322 178.284 175.900 0.102 0.000 1.137 345 Y CA 1.642 59.833 58.100 0.152 0.000 1.163 345 Y CB -0.848 37.736 38.460 0.207 0.000 0.988 345 Y HN 0.116 nan 8.280 nan 0.000 0.518 346 E N -0.128 120.182 120.200 0.184 0.000 2.130 346 E HA -0.265 4.084 4.350 -0.000 0.000 0.196 346 E C 2.246 178.823 176.600 -0.038 0.000 0.998 346 E CA 1.431 57.877 56.400 0.077 0.000 0.806 346 E CB -0.467 29.270 29.700 0.060 0.000 0.738 346 E HN 0.474 nan 8.360 nan 0.000 0.459 347 M N -0.460 119.038 119.600 -0.169 0.000 2.143 347 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 347 M C 1.061 177.091 176.300 -0.450 0.000 1.071 347 M CA 1.607 56.681 55.300 -0.377 0.000 1.088 347 M CB -0.081 32.150 32.600 -0.614 0.000 1.360 347 M HN 0.109 nan 8.290 nan 0.000 0.404 348 F N 0.568 120.392 119.950 -0.210 0.000 2.604 348 F HA -0.076 4.450 4.527 -0.000 0.000 0.298 348 F C 1.728 177.444 175.800 -0.140 0.000 1.131 348 F CA 0.663 58.545 58.000 -0.196 0.000 1.457 348 F CB -0.647 38.244 39.000 -0.181 0.000 1.095 348 F HN 0.305 nan 8.300 nan 0.000 0.574 349 N N 0.428 119.133 118.700 0.008 0.000 2.467 349 N HA -0.007 4.733 4.740 -0.000 0.000 0.184 349 N C 0.302 175.774 175.510 -0.064 0.000 1.106 349 N CA 0.260 53.302 53.050 -0.014 0.000 0.892 349 N CB -0.047 38.441 38.487 0.000 0.000 0.969 349 N HN 0.242 nan 8.380 nan 0.000 0.454 350 R N 0.846 121.270 120.500 -0.127 0.000 2.490 350 R HA 0.098 4.438 4.340 -0.000 0.000 0.280 350 R C 0.429 176.628 176.300 -0.168 0.000 1.077 350 R CA -0.339 55.673 56.100 -0.147 0.000 1.065 350 R CB 0.745 30.927 30.300 -0.197 0.000 1.003 350 R HN -0.001 nan 8.270 nan 0.000 0.470 351 D N 1.340 121.666 120.400 -0.123 0.000 2.264 351 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 351 D C 1.076 177.272 176.300 -0.174 0.000 0.966 351 D CA 1.167 55.108 54.000 -0.098 0.000 0.864 351 D CB 0.048 40.824 40.800 -0.040 0.000 0.933 351 D HN 0.557 nan 8.370 nan 0.000 0.499 352 N N 0.423 118.973 118.700 -0.249 0.000 2.322 352 N HA -0.042 4.698 4.740 -0.000 0.000 0.194 352 N C -0.278 174.823 175.510 -0.682 0.000 1.126 352 N CA 0.032 52.887 53.050 -0.326 0.000 0.845 352 N CB 0.505 38.887 38.487 -0.175 0.000 0.976 352 N HN -0.110 nan 8.380 nan 0.000 0.475 353 V N 1.842 121.269 119.914 -0.811 0.000 2.495 353 V HA 0.329 4.449 4.120 -0.000 0.000 0.298 353 V C -0.857 174.695 176.094 -0.904 0.000 1.031 353 V CA -0.752 61.051 62.300 -0.828 0.000 0.871 353 V CB 1.452 32.910 31.823 -0.608 0.000 0.988 353 V HN 0.297 nan 8.190 nan 0.000 0.432 354 H N 4.450 123.319 119.070 -0.334 0.000 2.689 354 H HA 0.437 4.993 4.556 -0.000 0.000 0.346 354 H C -0.867 174.415 175.328 -0.077 0.000 1.037 354 H CA -0.779 55.144 56.048 -0.209 0.000 1.234 354 H CB 2.466 31.998 29.762 -0.383 0.000 1.572 354 H HN 0.516 nan 8.280 nan 0.000 0.524 355 L N 3.789 125.100 121.223 0.147 0.000 2.281 355 L HA 0.259 4.599 4.340 -0.000 0.000 0.285 355 L C -0.723 176.111 176.870 -0.060 0.000 1.074 355 L CA -0.389 54.482 54.840 0.052 0.000 0.817 355 L CB 0.713 42.709 42.059 -0.105 0.000 1.168 355 L HN 0.352 nan 8.230 nan 0.000 0.434 356 V N 4.731 124.518 119.914 -0.212 0.000 2.347 356 V HA 0.284 4.404 4.120 -0.000 0.000 0.280 356 V C -0.348 175.689 176.094 -0.094 0.000 1.021 356 V CA -0.720 61.428 62.300 -0.253 0.000 0.847 356 V CB 1.211 32.578 31.823 -0.760 0.000 0.990 356 V HN 0.692 nan 8.190 nan 0.000 0.444 357 D N 3.929 124.319 120.400 -0.016 0.000 2.393 357 D HA 0.123 4.763 4.640 -0.000 0.000 0.232 357 D C 1.262 177.599 176.300 0.061 0.000 1.192 357 D CA -0.029 53.982 54.000 0.019 0.000 0.882 357 D CB 1.652 42.457 40.800 0.008 0.000 1.038 357 D HN 0.697 nan 8.370 nan 0.000 0.499 358 T N 0.962 115.568 114.554 0.085 0.000 3.107 358 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 358 T C 2.035 176.786 174.700 0.085 0.000 1.096 358 T CA -0.116 62.046 62.100 0.104 0.000 1.012 358 T CB -0.040 68.904 68.868 0.127 0.000 0.977 358 T HN 0.328 nan 8.240 nan 0.000 0.527 359 L N 0.922 122.187 121.223 0.069 0.000 2.027 359 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 359 L C 2.984 179.884 176.870 0.050 0.000 1.074 359 L CA 1.282 56.156 54.840 0.057 0.000 0.745 359 L CB -0.523 41.564 42.059 0.046 0.000 0.898 359 L HN 0.327 nan 8.230 nan 0.000 0.433 360 S N -0.245 115.483 115.700 0.047 0.000 2.345 360 S HA -0.023 4.446 4.470 -0.000 0.000 0.220 360 S C 1.005 175.637 174.600 0.054 0.000 1.031 360 S CA 1.098 59.324 58.200 0.043 0.000 0.996 360 S CB -0.178 63.045 63.200 0.038 0.000 0.882 360 S HN 0.399 nan 8.310 nan 0.000 0.445 361 A N 2.450 125.313 122.820 0.070 0.000 2.664 361 A HA 0.628 4.948 4.320 -0.000 0.000 0.338 361 A C -2.926 174.713 177.584 0.093 0.000 1.280 361 A CA -1.793 50.294 52.037 0.083 0.000 0.809 361 A CB 0.337 19.400 19.000 0.106 0.000 1.114 361 A HN 0.114 nan 8.150 nan 0.000 0.479 362 P HA 0.076 nan 4.420 nan 0.000 0.268 362 P C -0.072 177.269 177.300 0.069 0.000 1.208 362 P CA 0.137 63.285 63.100 0.082 0.000 0.777 362 P CB 0.478 32.224 31.700 0.077 0.000 0.875 363 I N 1.943 122.538 120.570 0.042 0.000 2.598 363 I HA -0.053 4.117 4.170 -0.000 0.000 0.284 363 I C 1.825 177.957 176.117 0.025 0.000 1.140 363 I CA 0.622 61.899 61.300 -0.038 0.000 1.420 363 I CB 0.261 38.106 38.000 -0.258 0.000 1.387 363 I HN 0.558 nan 8.210 nan 0.000 0.553 364 E N 3.852 124.061 120.200 0.014 0.000 2.042 364 E HA -0.064 4.286 4.350 -0.000 0.000 0.189 364 E C 0.442 177.060 176.600 0.030 0.000 0.974 364 E CA 0.820 57.238 56.400 0.030 0.000 0.806 364 E CB 0.522 30.236 29.700 0.024 0.000 0.769 364 E HN 0.648 nan 8.360 nan 0.000 0.451 365 T N -0.428 114.123 114.554 -0.004 0.000 2.886 365 T HA 0.340 4.690 4.350 -0.000 0.000 0.330 365 T C -1.332 173.330 174.700 -0.063 0.000 1.488 365 T CA -0.923 61.176 62.100 -0.001 0.000 1.054 365 T CB 0.834 69.714 68.868 0.019 0.000 1.348 365 T HN 0.005 nan 8.240 nan 0.000 0.489 366 I N 4.398 124.930 120.570 -0.063 0.000 2.529 366 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 366 I C 1.397 177.520 176.117 0.010 0.000 1.082 366 I CA 0.024 61.272 61.300 -0.088 0.000 1.406 366 I CB 0.621 38.569 38.000 -0.087 0.000 1.405 366 I HN 0.871 nan 8.210 nan 0.000 0.548 367 T N 3.302 117.886 114.554 0.050 0.000 2.927 367 T HA 0.482 4.832 4.350 -0.000 0.000 0.286 367 T C -2.095 172.708 174.700 0.171 0.000 1.040 367 T CA -1.862 60.288 62.100 0.084 0.000 1.010 367 T CB 1.864 70.764 68.868 0.053 0.000 1.177 367 T HN 0.223 nan 8.240 nan 0.000 0.546 368 P HA -0.030 nan 4.420 nan 0.000 0.216 368 P C 1.412 178.728 177.300 0.026 0.000 1.150 368 P CA 1.072 64.192 63.100 0.032 0.000 0.843 368 P CB 0.098 31.790 31.700 -0.013 0.000 0.787 369 R N -1.746 118.807 120.500 0.088 0.000 2.161 369 R HA 0.247 4.586 4.340 -0.000 0.000 0.213 369 R C 1.470 177.949 176.300 0.298 0.000 1.055 369 R CA 1.078 57.242 56.100 0.106 0.000 0.996 369 R CB -0.118 30.217 30.300 0.059 0.000 0.901 369 R HN 0.282 nan 8.270 nan 0.000 0.456 370 G N -0.568 108.437 108.800 0.340 0.000 2.563 370 G HA2 0.069 4.028 3.960 -0.000 0.000 0.068 370 G HA3 0.069 4.028 3.960 -0.000 0.000 0.068 370 G C -1.540 173.338 174.900 -0.036 0.000 1.001 370 G CA -0.635 44.595 45.100 0.216 0.000 1.188 370 G HN -0.066 nan 8.290 nan 0.000 0.512 371 V N 1.273 121.140 119.914 -0.079 0.000 2.531 371 V HA 0.715 4.835 4.120 -0.000 0.000 0.301 371 V C -0.110 175.987 176.094 0.005 0.000 1.034 371 V CA -0.635 61.544 62.300 -0.203 0.000 0.865 371 V CB 1.591 33.025 31.823 -0.649 0.000 0.995 371 V HN 0.728 nan 8.190 nan 0.000 0.424 372 R N 2.735 123.218 120.500 -0.028 0.000 2.295 372 R HA 0.640 4.980 4.340 -0.000 0.000 0.324 372 R C 0.200 176.524 176.300 0.040 0.000 0.968 372 R CA -0.166 55.951 56.100 0.029 0.000 0.837 372 R CB 1.522 31.824 30.300 0.003 0.000 1.133 372 R HN 0.953 nan 8.270 nan 0.000 0.450 373 T N -0.246 114.379 114.554 0.119 0.000 2.892 373 T HA 0.141 4.490 4.350 -0.000 0.000 0.280 373 T C 1.390 176.132 174.700 0.071 0.000 1.004 373 T CA -0.114 62.053 62.100 0.113 0.000 0.950 373 T CB 1.236 70.231 68.868 0.212 0.000 1.309 373 T HN 0.548 nan 8.240 nan 0.000 0.592 374 S N -0.542 115.198 115.700 0.066 0.000 2.442 374 S HA -0.093 4.377 4.470 -0.000 0.000 0.236 374 S C 1.552 176.172 174.600 0.033 0.000 1.007 374 S CA 0.956 59.182 58.200 0.043 0.000 0.965 374 S CB -0.683 62.542 63.200 0.042 0.000 0.773 374 S HN 0.784 nan 8.310 nan 0.000 0.504 375 E N 1.142 121.370 120.200 0.046 0.000 2.166 375 E HA 0.139 4.489 4.350 -0.000 0.000 0.192 375 E C 0.810 177.390 176.600 -0.033 0.000 0.967 375 E CA 0.437 56.849 56.400 0.020 0.000 0.840 375 E CB 0.254 29.982 29.700 0.046 0.000 0.795 375 E HN 0.733 nan 8.360 nan 0.000 0.470 376 R N -0.233 120.231 120.500 -0.060 0.000 2.774 376 R HA 0.346 4.686 4.340 -0.000 0.000 0.279 376 R C -1.454 174.720 176.300 -0.210 0.000 1.022 376 R CA -0.831 55.158 56.100 -0.183 0.000 0.855 376 R CB 0.840 30.939 30.300 -0.336 0.000 1.279 376 R HN -0.145 nan 8.270 nan 0.000 0.485 377 E N 0.714 120.766 120.200 -0.246 0.000 2.231 377 E HA 0.314 4.664 4.350 -0.000 0.000 0.277 377 E C -1.423 174.953 176.600 -0.374 0.000 0.999 377 E CA -0.811 55.484 56.400 -0.176 0.000 0.827 377 E CB 0.979 30.626 29.700 -0.088 0.000 1.101 377 E HN 0.486 nan 8.360 nan 0.000 0.393 378 Y N 2.154 122.392 120.300 -0.105 0.000 2.334 378 Y HA 0.211 4.761 4.550 -0.000 0.000 0.336 378 Y C -0.228 175.581 175.900 -0.151 0.000 0.960 378 Y CA -0.815 57.144 58.100 -0.234 0.000 1.164 378 Y CB 1.345 39.611 38.460 -0.324 0.000 1.155 378 Y HN 0.394 nan 8.280 nan 0.000 0.478 379 E N 4.939 125.131 120.200 -0.013 0.000 2.289 379 E HA 0.520 4.869 4.350 -0.000 0.000 0.278 379 E C -1.066 175.610 176.600 0.128 0.000 1.032 379 E CA -0.363 56.078 56.400 0.069 0.000 0.854 379 E CB 1.197 30.927 29.700 0.050 0.000 1.046 379 E HN 0.513 nan 8.360 nan 0.000 0.409 380 L N 2.258 123.620 121.223 0.231 0.000 2.422 380 L HA 0.278 4.618 4.340 -0.000 0.000 0.264 380 L C 0.320 177.425 176.870 0.391 0.000 0.984 380 L CA -0.764 54.260 54.840 0.306 0.000 0.819 380 L CB 2.005 44.222 42.059 0.264 0.000 1.330 380 L HN 0.478 nan 8.230 nan 0.000 0.410 381 D N -0.102 120.500 120.400 0.337 0.000 2.240 381 D HA 0.052 4.691 4.640 -0.000 0.000 0.206 381 D C 0.170 176.721 176.300 0.419 0.000 0.963 381 D CA 0.876 55.052 54.000 0.294 0.000 0.863 381 D CB 0.736 41.675 40.800 0.232 0.000 0.973 381 D HN 0.340 nan 8.370 nan 0.000 0.501 382 S N -0.135 115.857 115.700 0.486 0.000 2.549 382 S HA 0.544 5.014 4.470 -0.000 0.000 0.280 382 S C -1.306 173.485 174.600 0.318 0.000 1.109 382 S CA -0.680 57.843 58.200 0.537 0.000 0.905 382 S CB 2.476 66.105 63.200 0.716 0.000 1.081 382 S HN 0.043 nan 8.310 nan 0.000 0.477 383 L N 3.373 124.688 121.223 0.154 0.000 2.381 383 L HA 0.762 5.102 4.340 -0.000 0.000 0.274 383 L C -1.513 175.374 176.870 0.028 0.000 0.988 383 L CA -0.434 54.312 54.840 -0.156 0.000 0.824 383 L CB 1.688 43.283 42.059 -0.772 0.000 1.263 383 L HN 0.452 nan 8.230 nan 0.000 0.410 384 V N 6.239 126.186 119.914 0.055 0.000 2.417 384 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 384 V C -0.146 175.954 176.094 0.010 0.000 1.024 384 V CA -0.539 61.849 62.300 0.147 0.000 0.861 384 V CB 1.612 33.573 31.823 0.231 0.000 0.985 384 V HN 0.593 nan 8.190 nan 0.000 0.436 385 L N 4.553 125.752 121.223 -0.039 0.000 2.257 385 L HA 0.641 4.981 4.340 -0.000 0.000 0.290 385 L C 0.582 177.457 176.870 0.007 0.000 1.044 385 L CA -0.321 54.490 54.840 -0.048 0.000 0.810 385 L CB 1.369 43.355 42.059 -0.122 0.000 1.193 385 L HN 0.740 nan 8.230 nan 0.000 0.425 386 A N 2.627 125.429 122.820 -0.030 0.000 2.880 386 A HA 0.464 4.784 4.320 -0.000 0.000 0.328 386 A C 0.512 178.009 177.584 -0.145 0.000 1.440 386 A CA -0.544 51.421 52.037 -0.120 0.000 1.068 386 A CB -0.284 18.615 19.000 -0.169 0.000 1.163 386 A HN 0.681 nan 8.150 nan 0.000 0.510 387 T N -0.343 114.130 114.554 -0.135 0.000 2.904 387 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 387 T C 0.841 175.297 174.700 -0.406 0.000 1.018 387 T CA 0.047 62.043 62.100 -0.172 0.000 1.075 387 T CB 1.568 70.386 68.868 -0.083 0.000 0.986 387 T HN 0.618 nan 8.240 nan 0.000 0.523 388 G N 0.468 109.042 108.800 -0.376 0.000 2.531 388 G HA2 0.601 4.561 3.960 -0.000 0.000 0.253 388 G HA3 0.601 4.561 3.960 -0.000 0.000 0.253 388 G C -1.086 173.395 174.900 -0.699 0.000 1.439 388 G CA -1.016 43.774 45.100 -0.516 0.000 1.056 388 G HN 0.637 nan 8.290 nan 0.000 0.555 389 F N -1.202 118.769 119.950 0.036 0.000 2.577 389 F HA 0.363 4.890 4.527 -0.000 0.000 0.318 389 F C 0.261 176.072 175.800 0.018 0.000 1.065 389 F CA -0.947 57.090 58.000 0.060 0.000 0.929 389 F CB 1.770 40.818 39.000 0.079 0.000 1.237 389 F HN 0.274 nan 8.300 nan 0.000 0.468 390 D N 0.891 121.418 120.400 0.212 0.000 2.369 390 D HA 0.330 4.969 4.640 -0.000 0.000 0.241 390 D C 0.006 176.349 176.300 0.072 0.000 1.271 390 D CA 0.081 54.142 54.000 0.101 0.000 0.942 390 D CB 1.231 42.079 40.800 0.079 0.000 1.129 390 D HN 0.703 nan 8.370 nan 0.000 0.476 391 A N 1.299 124.130 122.820 0.019 0.000 2.547 391 A HA -0.035 4.284 4.320 -0.000 0.000 0.233 391 A C 1.612 179.177 177.584 -0.032 0.000 1.067 391 A CA -0.066 51.960 52.037 -0.019 0.000 0.763 391 A CB -0.033 18.946 19.000 -0.034 0.000 1.007 391 A HN 0.713 nan 8.150 nan 0.000 0.506 392 L N 1.498 122.706 121.223 -0.024 0.000 2.263 392 L HA -0.174 4.166 4.340 -0.000 0.000 0.216 392 L C 2.398 179.203 176.870 -0.108 0.000 1.111 392 L CA 2.267 57.092 54.840 -0.025 0.000 0.773 392 L CB -0.219 41.844 42.059 0.007 0.000 0.906 392 L HN 0.953 nan 8.230 nan 0.000 0.439 393 T N -4.940 109.470 114.554 -0.239 0.000 3.129 393 T HA 0.123 4.473 4.350 -0.000 0.000 0.251 393 T C 1.780 176.163 174.700 -0.527 0.000 1.117 393 T CA 0.259 62.057 62.100 -0.504 0.000 1.034 393 T CB -0.193 68.087 68.868 -0.980 0.000 0.968 393 T HN 0.369 nan 8.240 nan 0.000 0.526 394 G N 1.878 110.542 108.800 -0.226 0.000 2.476 394 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 394 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 394 G C 1.805 176.696 174.900 -0.015 0.000 1.164 394 G CA 0.779 45.833 45.100 -0.076 0.000 0.768 394 G HN 0.681 nan 8.290 nan 0.000 0.560 395 A N 0.451 123.265 122.820 -0.011 0.000 1.877 395 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 395 A C 2.475 180.089 177.584 0.050 0.000 1.186 395 A CA 1.394 53.447 52.037 0.026 0.000 0.620 395 A CB -0.466 18.560 19.000 0.043 0.000 0.822 395 A HN 0.354 nan 8.150 nan 0.000 0.443 396 L N -1.624 119.618 121.223 0.032 0.000 2.046 396 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 396 L C 2.297 179.312 176.870 0.242 0.000 1.077 396 L CA 1.045 55.942 54.840 0.094 0.000 0.747 396 L CB -0.465 41.621 42.059 0.045 0.000 0.896 396 L HN 0.338 nan 8.230 nan 0.000 0.432 397 F N 0.312 120.268 119.950 0.010 0.000 2.502 397 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 397 F C 2.246 178.051 175.800 0.008 0.000 1.111 397 F CA 0.733 58.736 58.000 0.006 0.000 1.445 397 F CB -0.759 38.261 39.000 0.034 0.000 1.081 397 F HN 0.048 nan 8.300 nan 0.000 0.558 398 K N 0.059 120.574 120.400 0.191 0.000 2.439 398 K HA 0.048 4.367 4.320 -0.000 0.000 0.197 398 K C 0.441 177.086 176.600 0.075 0.000 1.041 398 K CA 0.498 56.847 56.287 0.103 0.000 0.970 398 K CB 0.119 32.657 32.500 0.063 0.000 0.773 398 K HN 0.178 nan 8.250 nan 0.000 0.479 399 I N 1.183 121.804 120.570 0.086 0.000 2.377 399 I HA 0.035 4.205 4.170 -0.000 0.000 0.293 399 I C -0.228 175.926 176.117 0.063 0.000 0.987 399 I CA -0.912 60.425 61.300 0.063 0.000 1.185 399 I CB 1.380 39.411 38.000 0.052 0.000 1.341 399 I HN -0.130 nan 8.210 nan 0.000 0.455 400 D N 7.655 128.091 120.400 0.060 0.000 2.398 400 D HA 0.218 4.858 4.640 -0.000 0.000 0.250 400 D C -0.406 175.962 176.300 0.113 0.000 1.287 400 D CA 0.189 54.230 54.000 0.068 0.000 0.992 400 D CB 0.081 40.917 40.800 0.061 0.000 1.071 400 D HN 0.272 nan 8.370 nan 0.000 0.514 401 I N 4.387 125.031 120.570 0.124 0.000 2.315 401 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 401 I C 0.395 176.734 176.117 0.370 0.000 1.006 401 I CA -0.777 60.660 61.300 0.228 0.000 1.265 401 I CB 0.881 38.948 38.000 0.112 0.000 1.387 401 I HN 0.018 nan 8.210 nan 0.000 0.475 402 R N 4.708 125.487 120.500 0.464 0.000 2.480 402 R HA 0.603 4.942 4.340 -0.000 0.000 0.306 402 R C -0.026 176.401 176.300 0.212 0.000 0.958 402 R CA -0.589 55.700 56.100 0.315 0.000 0.861 402 R CB 1.879 32.272 30.300 0.155 0.000 1.171 402 R HN 0.793 nan 8.270 nan 0.000 0.445 403 G N 0.571 109.244 108.800 -0.212 0.000 2.990 403 G HA2 0.336 4.296 3.960 -0.000 0.000 0.208 403 G HA3 0.336 4.296 3.960 -0.000 0.000 0.208 403 G C -0.624 174.000 174.900 -0.461 0.000 1.334 403 G CA -0.537 44.120 45.100 -0.738 0.000 1.024 403 G HN 0.268 nan 8.290 nan 0.000 0.574 404 V N 1.080 120.713 119.914 -0.469 0.000 2.681 404 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 404 V C 1.686 177.667 176.094 -0.189 0.000 1.077 404 V CA 1.930 64.099 62.300 -0.220 0.000 1.224 404 V CB 0.278 31.982 31.823 -0.199 0.000 0.879 404 V HN 1.936 nan 8.190 nan 0.000 0.494 405 G N 4.583 113.319 108.800 -0.108 0.000 2.198 405 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 405 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 405 G C 0.618 175.477 174.900 -0.069 0.000 1.025 405 G CA 0.586 45.640 45.100 -0.076 0.000 0.769 405 G HN 1.273 nan 8.290 nan 0.000 0.507 406 N N -2.246 116.405 118.700 -0.081 0.000 2.708 406 N HA -0.210 4.529 4.740 -0.000 0.000 0.249 406 N C 0.420 175.920 175.510 -0.017 0.000 1.097 406 N CA 0.851 53.874 53.050 -0.045 0.000 0.710 406 N CB -0.899 37.573 38.487 -0.024 0.000 1.032 406 N HN 0.660 nan 8.380 nan 0.000 0.551 407 V N 1.221 121.106 119.914 -0.049 0.000 2.555 407 V HA 0.399 4.518 4.120 -0.000 0.000 0.286 407 V C 1.066 177.270 176.094 0.183 0.000 1.044 407 V CA 0.060 62.384 62.300 0.041 0.000 1.026 407 V CB 1.283 33.125 31.823 0.032 0.000 0.981 407 V HN 0.359 nan 8.190 nan 0.000 0.480 408 A N 4.511 127.437 122.820 0.178 0.000 2.366 408 A HA 0.429 4.749 4.320 -0.000 0.000 0.272 408 A C 0.890 178.574 177.584 0.166 0.000 1.135 408 A CA -0.417 51.724 52.037 0.172 0.000 0.804 408 A CB 0.355 19.383 19.000 0.045 0.000 1.064 408 A HN 0.893 nan 8.150 nan 0.000 0.499 409 L N 2.710 123.954 121.223 0.036 0.000 2.079 409 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 409 L C 2.241 178.853 176.870 -0.430 0.000 1.081 409 L CA 2.074 56.611 54.840 -0.505 0.000 0.752 409 L CB -0.437 41.162 42.059 -0.766 0.000 0.896 409 L HN 0.850 nan 8.230 nan 0.000 0.433 410 K N -0.759 119.412 120.400 -0.382 0.000 2.063 410 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 410 K C 1.970 178.378 176.600 -0.319 0.000 1.048 410 K CA 1.617 57.522 56.287 -0.637 0.000 0.928 410 K CB -0.076 32.082 32.500 -0.569 0.000 0.713 410 K HN 0.428 nan 8.250 nan 0.000 0.442 411 E N 0.650 120.772 120.200 -0.130 0.000 2.028 411 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 411 E C 1.953 178.594 176.600 0.068 0.000 0.988 411 E CA 0.971 57.360 56.400 -0.018 0.000 0.799 411 E CB -0.125 29.588 29.700 0.021 0.000 0.755 411 E HN 0.251 nan 8.360 nan 0.000 0.447 412 K N -0.098 120.370 120.400 0.113 0.000 2.103 412 K HA -0.161 4.158 4.320 -0.000 0.000 0.207 412 K C 1.267 178.093 176.600 0.377 0.000 1.048 412 K CA 1.196 57.623 56.287 0.234 0.000 0.930 412 K CB -0.033 32.639 32.500 0.286 0.000 0.716 412 K HN 0.100 nan 8.250 nan 0.000 0.444 413 W N 0.257 121.569 121.300 0.020 0.000 3.388 413 W HA 0.311 4.971 4.660 -0.000 0.000 0.324 413 W C 1.559 178.144 176.519 0.109 0.000 1.250 413 W CA -0.372 57.025 57.345 0.086 0.000 1.809 413 W CB -0.467 29.109 29.460 0.193 0.000 1.083 413 W HN 0.168 nan 8.180 nan 0.000 0.685 414 A N 0.541 123.493 122.820 0.220 0.000 2.019 414 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 414 A C 2.110 179.786 177.584 0.153 0.000 1.164 414 A CA 1.937 54.059 52.037 0.142 0.000 0.644 414 A CB -0.517 18.523 19.000 0.066 0.000 0.805 414 A HN 0.094 nan 8.150 nan 0.000 0.449 415 A N -1.442 121.463 122.820 0.142 0.000 2.307 415 A HA 0.506 4.826 4.320 -0.000 0.000 0.218 415 A C 1.031 178.683 177.584 0.114 0.000 1.228 415 A CA 0.916 53.024 52.037 0.118 0.000 0.857 415 A CB -0.812 18.244 19.000 0.095 0.000 0.897 415 A HN 1.953 nan 8.150 nan 0.000 0.495 416 G N -0.540 108.327 108.800 0.111 0.000 2.402 416 G HA2 0.208 4.168 3.960 -0.000 0.000 0.666 416 G HA3 0.208 4.168 3.960 -0.000 0.000 0.666 416 G C -3.597 171.179 174.900 -0.206 0.000 1.402 416 G CA -0.673 44.427 45.100 -0.000 0.000 0.920 416 G HN 0.011 nan 8.290 nan 0.000 0.651 417 P HA 0.269 nan 4.420 nan 0.000 0.271 417 P C -0.302 176.403 177.300 -0.991 0.000 1.233 417 P CA 0.120 62.338 63.100 -1.470 0.000 0.764 417 P CB 0.520 31.321 31.700 -1.498 0.000 0.825 418 R N 2.421 122.365 120.500 -0.926 0.000 2.255 418 R HA 0.555 4.895 4.340 -0.000 0.000 0.326 418 R C 0.616 176.916 176.300 -0.001 0.000 0.986 418 R CA -0.285 55.692 56.100 -0.205 0.000 0.847 418 R CB 1.141 31.479 30.300 0.063 0.000 1.111 418 R HN 0.525 nan 8.270 nan 0.000 0.452 419 T N -1.197 113.420 114.554 0.106 0.000 2.816 419 T HA 0.270 4.620 4.350 -0.000 0.000 0.299 419 T C -1.486 173.406 174.700 0.320 0.000 1.230 419 T CA -0.781 61.462 62.100 0.238 0.000 1.007 419 T CB 1.400 70.370 68.868 0.171 0.000 1.289 419 T HN 0.438 nan 8.240 nan 0.000 0.508 420 Y N 2.218 122.525 120.300 0.011 0.000 2.342 420 Y HA 0.560 5.109 4.550 -0.000 0.000 0.338 420 Y C 0.950 176.527 175.900 -0.538 0.000 0.965 420 Y CA -1.928 56.018 58.100 -0.256 0.000 1.159 420 Y CB -0.105 38.150 38.460 -0.341 0.000 1.157 420 Y HN 0.884 nan 8.280 nan 0.000 0.486 421 L N 5.482 125.675 121.223 -1.717 0.000 4.555 421 L HA -0.364 3.976 4.340 -0.000 0.000 0.431 421 L C 1.320 177.949 176.870 -0.401 0.000 1.136 421 L CA 0.989 54.904 54.840 -1.542 0.000 0.972 421 L CB -1.887 39.348 42.059 -1.374 0.000 1.999 421 L HN 1.062 nan 8.230 nan 0.000 0.900 422 G N -0.958 107.792 108.800 -0.083 0.000 2.189 422 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.267 422 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.267 422 G C 0.681 175.702 174.900 0.202 0.000 0.975 422 G CA 0.683 45.858 45.100 0.125 0.000 0.644 422 G HN 0.402 nan 8.290 nan 0.000 0.537 423 L N -0.469 120.806 121.223 0.087 0.000 2.357 423 L HA 0.389 4.729 4.340 -0.000 0.000 0.211 423 L C 1.181 178.298 176.870 0.412 0.000 1.075 423 L CA 1.162 56.089 54.840 0.145 0.000 0.830 423 L CB 0.313 42.255 42.059 -0.195 0.000 0.996 423 L HN 0.222 nan 8.230 nan 0.000 0.467 424 S N -1.922 114.033 115.700 0.424 0.000 2.579 424 S HA 0.432 4.902 4.470 -0.000 0.000 0.272 424 S C -0.718 174.158 174.600 0.460 0.000 1.141 424 S CA -0.483 57.949 58.200 0.387 0.000 0.843 424 S CB 2.572 65.998 63.200 0.376 0.000 1.122 424 S HN -0.004 nan 8.310 nan 0.000 0.468 425 T N 1.004 115.848 114.554 0.483 0.000 2.863 425 T HA 0.710 5.060 4.350 -0.000 0.000 0.285 425 T C -0.214 174.705 174.700 0.365 0.000 1.009 425 T CA -0.452 61.921 62.100 0.454 0.000 0.989 425 T CB 0.973 70.196 68.868 0.592 0.000 1.004 425 T HN 0.835 nan 8.240 nan 0.000 0.455 426 A N 2.067 125.059 122.820 0.287 0.000 2.483 426 A HA 0.545 4.865 4.320 -0.000 0.000 0.238 426 A C 1.584 179.338 177.584 0.283 0.000 1.070 426 A CA 0.522 52.679 52.037 0.200 0.000 0.770 426 A CB -0.848 18.224 19.000 0.120 0.000 1.008 426 A HN 2.081 nan 8.150 nan 0.000 0.497 427 G N -0.296 108.573 108.800 0.114 0.000 2.176 427 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 427 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 427 G C -0.023 174.651 174.900 -0.377 0.000 0.979 427 G CA 0.595 45.657 45.100 -0.063 0.000 0.641 427 G HN 0.957 nan 8.290 nan 0.000 0.530 428 F N 1.418 121.334 119.950 -0.057 0.000 2.710 428 F HA 0.403 4.930 4.527 -0.000 0.000 0.345 428 F C -2.286 173.432 175.800 -0.137 0.000 1.362 428 F CA -1.953 56.027 58.000 -0.034 0.000 1.175 428 F CB 1.851 40.931 39.000 0.133 0.000 1.561 428 F HN -0.125 nan 8.300 nan 0.000 0.593 429 P HA 0.159 nan 4.420 nan 0.000 0.272 429 P C 0.006 177.235 177.300 -0.119 0.000 1.230 429 P CA 0.206 63.092 63.100 -0.356 0.000 0.788 429 P CB 0.505 31.800 31.700 -0.676 0.000 0.949 430 N N -1.919 116.792 118.700 0.017 0.000 2.753 430 N HA -0.187 4.552 4.740 -0.000 0.000 0.251 430 N C -0.641 174.895 175.510 0.044 0.000 1.097 430 N CA 0.808 54.010 53.050 0.254 0.000 0.786 430 N CB -1.809 36.880 38.487 0.337 0.000 1.137 430 N HN 0.300 nan 8.380 nan 0.000 0.566 431 L N 0.068 121.019 121.223 -0.454 0.000 2.333 431 L HA 0.741 5.080 4.340 -0.000 0.000 0.280 431 L C -1.106 175.080 176.870 -1.141 0.000 1.004 431 L CA -0.691 53.748 54.840 -0.668 0.000 0.820 431 L CB 0.845 42.608 42.059 -0.492 0.000 1.247 431 L HN 0.004 nan 8.230 nan 0.000 0.416 432 F N 4.400 124.082 119.950 -0.447 0.000 2.576 432 F HA 0.618 5.145 4.527 -0.000 0.000 0.313 432 F C -0.846 174.626 175.800 -0.547 0.000 1.078 432 F CA -0.464 57.290 58.000 -0.411 0.000 0.921 432 F CB 1.792 40.720 39.000 -0.119 0.000 1.232 432 F HN 0.187 nan 8.300 nan 0.000 0.459 433 F N 3.577 123.657 119.950 0.217 0.000 2.444 433 F HA 0.519 5.046 4.527 -0.000 0.000 0.342 433 F C -0.267 175.641 175.800 0.180 0.000 1.121 433 F CA -1.033 57.069 58.000 0.170 0.000 0.997 433 F CB 1.047 40.161 39.000 0.191 0.000 1.130 433 F HN 0.078 nan 8.300 nan 0.000 0.454 434 I N 3.207 123.993 120.570 0.361 0.000 2.342 434 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 434 I C 0.885 177.244 176.117 0.404 0.000 1.010 434 I CA -0.703 60.834 61.300 0.395 0.000 1.308 434 I CB 0.469 38.644 38.000 0.292 0.000 1.400 434 I HN 0.858 nan 8.210 nan 0.000 0.488 435 A N 4.482 127.611 122.820 0.516 0.000 2.745 435 A HA -0.085 4.235 4.320 -0.000 0.000 0.296 435 A C 0.827 178.482 177.584 0.118 0.000 1.500 435 A CA 0.962 53.085 52.037 0.143 0.000 0.766 435 A CB -1.982 17.078 19.000 0.100 0.000 1.030 435 A HN 1.041 nan 8.150 nan 0.000 0.489 436 G N -1.081 107.828 108.800 0.182 0.000 3.107 436 G HA2 0.787 4.747 3.960 -0.000 0.000 0.232 436 G HA3 0.787 4.747 3.960 -0.000 0.000 0.232 436 G C -2.876 172.011 174.900 -0.023 0.000 1.339 436 G CA -0.909 44.239 45.100 0.080 0.000 1.033 436 G HN 0.313 nan 8.290 nan 0.000 0.567 437 P HA 0.216 nan 4.420 nan 0.000 0.268 437 P C 0.717 177.926 177.300 -0.152 0.000 1.205 437 P CA 1.431 64.391 63.100 -0.233 0.000 0.771 437 P CB 1.055 32.511 31.700 -0.406 0.000 0.858 438 G N 1.097 109.840 108.800 -0.094 0.000 2.176 438 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.232 438 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.232 438 G C 0.190 175.256 174.900 0.277 0.000 0.986 438 G CA 0.348 45.542 45.100 0.156 0.000 0.643 438 G HN 0.927 nan 8.290 nan 0.000 0.522 439 S N -1.151 114.554 115.700 0.008 0.000 2.740 439 S HA 0.839 5.309 4.470 -0.000 0.000 0.300 439 S C -1.744 172.666 174.600 -0.316 0.000 1.147 439 S CA -0.597 57.425 58.200 -0.297 0.000 0.871 439 S CB 2.429 65.457 63.200 -0.287 0.000 1.173 439 S HN -0.102 nan 8.310 nan 0.000 0.510 440 P HA -0.016 nan 4.420 nan 0.000 0.216 440 P C 1.290 178.469 177.300 -0.202 0.000 1.153 440 P CA 1.802 64.780 63.100 -0.204 0.000 0.848 440 P CB -0.255 31.400 31.700 -0.075 0.000 0.787 441 S N -1.058 114.517 115.700 -0.208 0.000 4.046 441 S HA -0.383 4.086 4.470 -0.000 0.000 0.572 441 S C 1.690 176.226 174.600 -0.106 0.000 2.022 441 S CA 1.904 60.016 58.200 -0.146 0.000 4.201 441 S CB -1.777 61.333 63.200 -0.149 0.000 0.438 441 S HN 0.245 nan 8.310 nan 0.000 0.618 442 A N 0.718 123.476 122.820 -0.103 0.000 2.178 442 A HA 0.168 4.487 4.320 -0.000 0.000 0.218 442 A C 1.813 179.372 177.584 -0.041 0.000 1.157 442 A CA 1.660 53.681 52.037 -0.027 0.000 0.689 442 A CB -0.663 18.383 19.000 0.077 0.000 0.787 442 A HN 0.618 nan 8.150 nan 0.000 0.465 443 L N 0.584 121.719 121.223 -0.146 0.000 2.728 443 L HA 0.154 4.494 4.340 -0.000 0.000 0.235 443 L C 0.550 177.388 176.870 -0.054 0.000 1.197 443 L CA 0.068 54.834 54.840 -0.125 0.000 0.992 443 L CB -0.359 41.512 42.059 -0.313 0.000 1.263 443 L HN 0.485 nan 8.230 nan 0.000 0.484 444 S N -2.663 113.016 115.700 -0.034 0.000 2.685 444 S HA 0.320 4.790 4.470 -0.000 0.000 0.282 444 S C -0.553 174.035 174.600 -0.021 0.000 1.159 444 S CA -0.969 57.219 58.200 -0.021 0.000 0.833 444 S CB 1.536 64.722 63.200 -0.023 0.000 1.151 444 S HN 0.088 nan 8.310 nan 0.000 0.485 445 N N 1.042 119.715 118.700 -0.045 0.000 2.416 445 N HA 0.069 4.809 4.740 -0.000 0.000 0.271 445 N C 0.967 176.451 175.510 -0.044 0.000 1.245 445 N CA -0.204 52.837 53.050 -0.015 0.000 0.940 445 N CB -0.037 38.425 38.487 -0.041 0.000 1.175 445 N HN 0.622 nan 8.380 nan 0.000 0.483 446 M N 3.176 122.810 119.600 0.058 0.000 2.279 446 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 446 M C 1.557 177.818 176.300 -0.064 0.000 1.062 446 M CA 0.914 56.233 55.300 0.033 0.000 1.099 446 M CB -0.543 32.145 32.600 0.147 0.000 1.394 446 M HN 0.581 nan 8.290 nan 0.000 0.426 447 L N -0.814 120.300 121.223 -0.181 0.000 2.093 447 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 447 L C 2.401 179.156 176.870 -0.191 0.000 1.085 447 L CA 0.618 55.244 54.840 -0.356 0.000 0.755 447 L CB -0.348 41.288 42.059 -0.706 0.000 0.904 447 L HN 0.029 nan 8.230 nan 0.000 0.435 448 V N -1.321 118.463 119.914 -0.217 0.000 2.307 448 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 448 V C 2.509 178.423 176.094 -0.300 0.000 1.045 448 V CA 2.020 64.137 62.300 -0.306 0.000 1.024 448 V CB -0.290 31.222 31.823 -0.518 0.000 0.651 448 V HN 0.378 nan 8.190 nan 0.000 0.449 449 S N -0.311 115.225 115.700 -0.274 0.000 2.382 449 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 449 S C 1.867 176.491 174.600 0.039 0.000 1.027 449 S CA 1.480 59.641 58.200 -0.066 0.000 0.991 449 S CB -0.297 62.840 63.200 -0.104 0.000 0.823 449 S HN 0.485 nan 8.310 nan 0.000 0.469 450 I N 1.370 121.980 120.570 0.066 0.000 2.252 450 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 450 I C 2.525 178.842 176.117 0.332 0.000 1.102 450 I CA 1.158 62.578 61.300 0.200 0.000 1.385 450 I CB -0.264 37.853 38.000 0.195 0.000 1.064 450 I HN 0.314 nan 8.210 nan 0.000 0.414 451 E N 0.198 120.582 120.200 0.308 0.000 2.051 451 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 451 E C 2.145 179.006 176.600 0.436 0.000 0.991 451 E CA 0.946 57.622 56.400 0.461 0.000 0.799 451 E CB -0.181 29.704 29.700 0.309 0.000 0.748 451 E HN 0.420 nan 8.360 nan 0.000 0.449 452 Q N 0.679 120.711 119.800 0.386 0.000 2.096 452 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 452 Q C 1.846 178.125 176.000 0.465 0.000 0.982 452 Q CA 1.630 57.698 55.803 0.442 0.000 0.850 452 Q CB -0.193 28.908 28.738 0.606 0.000 0.901 452 Q HN 0.571 nan 8.270 nan 0.000 0.422 453 H N -1.065 118.177 119.070 0.286 0.000 2.357 453 H HA -0.064 4.492 4.556 -0.000 0.000 0.301 453 H C 2.218 177.660 175.328 0.189 0.000 1.082 453 H CA 1.188 57.373 56.048 0.228 0.000 1.342 453 H CB 0.517 30.398 29.762 0.199 0.000 1.389 453 H HN 0.086 nan 8.280 nan 0.000 0.511 454 V N 1.059 121.136 119.914 0.272 0.000 2.358 454 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 454 V C 1.944 177.997 176.094 -0.069 0.000 1.047 454 V CA 1.773 64.090 62.300 0.028 0.000 1.035 454 V CB -0.346 31.405 31.823 -0.120 0.000 0.658 454 V HN 0.435 nan 8.190 nan 0.000 0.452 455 E N -1.255 118.975 120.200 0.050 0.000 2.077 455 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 455 E C 1.905 178.532 176.600 0.044 0.000 0.989 455 E CA 1.769 58.187 56.400 0.029 0.000 0.800 455 E CB -0.229 29.564 29.700 0.154 0.000 0.746 455 E HN 0.764 nan 8.360 nan 0.000 0.452 456 W N 0.533 121.807 121.300 -0.042 0.000 2.379 456 W HA -0.190 4.469 4.660 -0.001 0.000 0.307 456 W C 2.014 178.419 176.519 -0.190 0.000 1.200 456 W CA 1.135 58.430 57.345 -0.082 0.000 1.297 456 W CB -0.126 29.293 29.460 -0.067 0.000 1.140 456 W HN -0.172 nan 8.180 nan 0.000 0.507 457 V N 0.769 120.768 119.914 0.142 0.000 2.270 457 V HA -0.342 3.778 4.120 -0.000 0.000 0.245 457 V C 2.595 178.449 176.094 -0.401 0.000 1.043 457 V CA 2.679 64.862 62.300 -0.196 0.000 1.014 457 V CB -1.599 30.098 31.823 -0.211 0.000 0.645 457 V HN 0.452 nan 8.190 nan 0.000 0.447 458 T N -2.246 112.135 114.554 -0.287 0.000 2.746 458 T HA -0.234 4.115 4.350 -0.000 0.000 0.267 458 T C 1.599 176.121 174.700 -0.296 0.000 1.039 458 T CA 1.639 63.556 62.100 -0.304 0.000 1.142 458 T CB -0.520 68.175 68.868 -0.288 0.000 0.866 458 T HN 0.369 nan 8.240 nan 0.000 0.444 459 D N 0.772 121.013 120.400 -0.266 0.000 2.116 459 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 459 D C 1.918 178.041 176.300 -0.295 0.000 0.998 459 D CA 1.599 55.456 54.000 -0.238 0.000 0.836 459 D CB -0.653 40.014 40.800 -0.221 0.000 0.951 459 D HN 0.638 nan 8.370 nan 0.000 0.449 460 H N 0.197 118.881 119.070 -0.643 0.000 2.353 460 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 460 H C 2.130 177.057 175.328 -0.667 0.000 1.090 460 H CA 1.314 56.797 56.048 -0.941 0.000 1.327 460 H CB -0.392 28.491 29.762 -1.465 0.000 1.383 460 H HN 0.109 nan 8.280 nan 0.000 0.508 461 I N 0.108 120.265 120.570 -0.688 0.000 2.286 461 I HA -0.248 3.921 4.170 -0.000 0.000 0.248 461 I C 2.695 178.661 176.117 -0.252 0.000 1.115 461 I CA 0.964 61.875 61.300 -0.649 0.000 1.392 461 I CB -0.438 37.215 38.000 -0.579 0.000 1.065 461 I HN 0.448 nan 8.210 nan 0.000 0.418 462 A N 0.286 122.990 122.820 -0.193 0.000 1.858 462 A HA -0.309 4.011 4.320 -0.000 0.000 0.216 462 A C 2.302 179.873 177.584 -0.020 0.000 1.190 462 A CA 1.711 53.706 52.037 -0.070 0.000 0.617 462 A CB -1.250 17.686 19.000 -0.107 0.000 0.827 462 A HN 0.523 nan 8.150 nan 0.000 0.443 463 Y N 0.073 120.245 120.300 -0.214 0.000 2.139 463 Y HA -0.322 4.227 4.550 -0.000 0.000 0.282 463 Y C 2.400 178.172 175.900 -0.214 0.000 1.179 463 Y CA 2.356 60.346 58.100 -0.184 0.000 1.161 463 Y CB -0.190 38.172 38.460 -0.164 0.000 0.970 463 Y HN 0.233 nan 8.280 nan 0.000 0.511 464 M N -1.020 118.484 119.600 -0.160 0.000 2.065 464 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 464 M C 2.133 178.293 176.300 -0.234 0.000 1.069 464 M CA 1.761 56.917 55.300 -0.240 0.000 1.110 464 M CB -1.576 30.811 32.600 -0.354 0.000 1.328 464 M HN 0.330 nan 8.290 nan 0.000 0.405 465 F N 0.596 120.469 119.950 -0.129 0.000 2.171 465 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 465 F C 2.594 178.321 175.800 -0.122 0.000 1.090 465 F CA 1.420 59.367 58.000 -0.087 0.000 1.293 465 F CB -0.573 38.385 39.000 -0.070 0.000 1.013 465 F HN 0.177 nan 8.300 nan 0.000 0.486 466 K N 0.163 120.561 120.400 -0.002 0.000 2.097 466 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 466 K C 1.018 177.522 176.600 -0.161 0.000 1.049 466 K CA 1.354 57.586 56.287 -0.093 0.000 0.933 466 K CB -0.151 32.258 32.500 -0.152 0.000 0.717 466 K HN 0.268 nan 8.250 nan 0.000 0.442 467 N N -0.493 118.057 118.700 -0.251 0.000 2.230 467 N HA 0.030 4.769 4.740 -0.000 0.000 0.202 467 N C 0.343 175.759 175.510 -0.155 0.000 1.119 467 N CA 0.750 53.650 53.050 -0.249 0.000 0.851 467 N CB 1.261 39.500 38.487 -0.412 0.000 0.990 467 N HN 0.360 nan 8.380 nan 0.000 0.497 468 G N 1.390 110.114 108.800 -0.128 0.000 2.179 468 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 468 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 468 G C -0.039 174.789 174.900 -0.120 0.000 1.010 468 G CA 0.232 45.270 45.100 -0.103 0.000 0.736 468 G HN 0.251 nan 8.290 nan 0.000 0.513 469 L N -0.480 120.652 121.223 -0.150 0.000 2.379 469 L HA 0.726 5.066 4.340 -0.000 0.000 0.269 469 L C 1.540 178.312 176.870 -0.164 0.000 1.084 469 L CA -0.018 54.755 54.840 -0.113 0.000 0.802 469 L CB 1.671 43.694 42.059 -0.060 0.000 1.175 469 L HN 0.287 nan 8.230 nan 0.000 0.448 470 T N -2.672 111.823 114.554 -0.098 0.000 3.087 470 T HA 0.230 4.580 4.350 -0.000 0.000 0.283 470 T C 0.307 174.983 174.700 -0.040 0.000 0.956 470 T CA -0.393 61.631 62.100 -0.127 0.000 0.894 470 T CB 0.206 68.988 68.868 -0.142 0.000 1.160 470 T HN 0.506 nan 8.240 nan 0.000 0.532 471 R N 0.980 121.514 120.500 0.056 0.000 2.515 471 R HA 0.597 4.937 4.340 -0.000 0.000 0.291 471 R C -1.804 174.608 176.300 0.187 0.000 1.046 471 R CA -0.224 55.949 56.100 0.121 0.000 0.914 471 R CB 1.892 32.254 30.300 0.104 0.000 1.191 471 R HN 0.145 nan 8.270 nan 0.000 0.435 472 S N 3.034 118.894 115.700 0.267 0.000 2.659 472 S HA 0.320 4.790 4.470 -0.000 0.000 0.312 472 S C -1.348 173.440 174.600 0.313 0.000 1.114 472 S CA -0.554 57.864 58.200 0.363 0.000 1.063 472 S CB 1.228 64.777 63.200 0.582 0.000 0.996 472 S HN 0.702 nan 8.310 nan 0.000 0.478 473 E N 3.436 123.828 120.200 0.321 0.000 2.292 473 E HA 0.659 5.009 4.350 -0.000 0.000 0.272 473 E C -0.560 176.173 176.600 0.221 0.000 0.881 473 E CA -0.916 55.614 56.400 0.216 0.000 0.754 473 E CB 1.841 31.584 29.700 0.071 0.000 1.201 473 E HN 0.779 nan 8.360 nan 0.000 0.425 474 A N 2.962 125.832 122.820 0.084 0.000 2.511 474 A HA 0.213 4.532 4.320 -0.000 0.000 0.242 474 A C -0.000 177.472 177.584 -0.187 0.000 1.069 474 A CA -0.301 51.574 52.037 -0.269 0.000 0.763 474 A CB 0.372 19.254 19.000 -0.196 0.000 1.001 474 A HN 0.416 nan 8.150 nan 0.000 0.498 475 V N 4.528 124.253 119.914 -0.314 0.000 2.572 475 V HA -0.043 4.076 4.120 -0.000 0.000 0.291 475 V C 1.638 177.618 176.094 -0.189 0.000 1.039 475 V CA 0.144 62.321 62.300 -0.206 0.000 1.055 475 V CB 0.772 32.463 31.823 -0.221 0.000 0.969 475 V HN 0.947 nan 8.190 nan 0.000 0.482 476 L N 4.048 125.223 121.223 -0.080 0.000 2.042 476 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 476 L C 2.337 179.187 176.870 -0.033 0.000 1.076 476 L CA 1.893 56.717 54.840 -0.027 0.000 0.749 476 L CB -0.619 41.447 42.059 0.011 0.000 0.893 476 L HN 0.857 nan 8.230 nan 0.000 0.432 477 E N -0.305 119.864 120.200 -0.052 0.000 2.110 477 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 477 E C 1.904 178.469 176.600 -0.058 0.000 0.988 477 E CA 1.115 57.493 56.400 -0.038 0.000 0.804 477 E CB 0.102 29.779 29.700 -0.037 0.000 0.745 477 E HN 0.441 nan 8.360 nan 0.000 0.458 478 K N 0.517 120.811 120.400 -0.177 0.000 2.167 478 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 478 K C 2.055 178.599 176.600 -0.094 0.000 1.052 478 K CA 0.863 56.986 56.287 -0.273 0.000 0.956 478 K CB -0.251 31.789 32.500 -0.768 0.000 0.735 478 K HN 0.324 nan 8.250 nan 0.000 0.451 479 E N 1.480 121.634 120.200 -0.077 0.000 2.051 479 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 479 E C 1.082 177.806 176.600 0.207 0.000 0.991 479 E CA 1.491 57.988 56.400 0.161 0.000 0.799 479 E CB 0.116 29.887 29.700 0.118 0.000 0.748 479 E HN 0.126 nan 8.360 nan 0.000 0.449 480 D N 0.383 120.854 120.400 0.118 0.000 2.144 480 D HA -0.187 4.452 4.640 -0.000 0.000 0.199 480 D C 1.811 178.187 176.300 0.127 0.000 0.984 480 D CA 1.143 55.209 54.000 0.109 0.000 0.834 480 D CB -0.272 40.569 40.800 0.070 0.000 0.955 480 D HN 0.397 nan 8.370 nan 0.000 0.465 481 E N -0.146 120.138 120.200 0.138 0.000 2.077 481 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 481 E C 2.036 178.785 176.600 0.248 0.000 0.989 481 E CA 0.784 57.279 56.400 0.158 0.000 0.800 481 E CB -0.128 29.655 29.700 0.139 0.000 0.746 481 E HN 0.402 nan 8.360 nan 0.000 0.452 482 W N 0.796 122.188 121.300 0.153 0.000 2.354 482 W HA -0.206 4.453 4.660 -0.000 0.000 0.315 482 W C 1.845 178.469 176.519 0.176 0.000 1.206 482 W CA 1.320 58.785 57.345 0.200 0.000 1.290 482 W CB -0.288 29.317 29.460 0.241 0.000 1.152 482 W HN -0.004 nan 8.180 nan 0.000 0.489 483 V N 1.138 121.144 119.914 0.154 0.000 2.282 483 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 483 V C 2.562 178.625 176.094 -0.051 0.000 1.057 483 V CA 2.449 64.756 62.300 0.011 0.000 1.032 483 V CB -1.008 30.857 31.823 0.069 0.000 0.645 483 V HN 0.188 nan 8.190 nan 0.000 0.447 484 E N -0.302 119.904 120.200 0.010 0.000 2.110 484 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 484 E C 2.183 178.754 176.600 -0.048 0.000 0.988 484 E CA 1.875 58.274 56.400 -0.002 0.000 0.804 484 E CB -0.202 29.521 29.700 0.038 0.000 0.745 484 E HN 0.812 nan 8.360 nan 0.000 0.458 485 H N 0.080 119.051 119.070 -0.166 0.000 2.353 485 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 485 H C 2.094 177.214 175.328 -0.346 0.000 1.090 485 H CA 1.868 57.776 56.048 -0.233 0.000 1.327 485 H CB -0.174 29.438 29.762 -0.250 0.000 1.383 485 H HN -0.044 nan 8.280 nan 0.000 0.508 486 V N 0.971 120.571 119.914 -0.524 0.000 2.287 486 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 486 V C 2.185 178.069 176.094 -0.350 0.000 1.053 486 V CA 2.070 64.076 62.300 -0.489 0.000 1.027 486 V CB -0.517 31.073 31.823 -0.388 0.000 0.646 486 V HN 0.549 nan 8.190 nan 0.000 0.447 487 N N -0.135 118.432 118.700 -0.222 0.000 2.084 487 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 487 N C 1.924 177.302 175.510 -0.220 0.000 1.030 487 N CA 1.629 54.589 53.050 -0.150 0.000 0.849 487 N CB -0.316 38.146 38.487 -0.043 0.000 1.012 487 N HN 0.614 nan 8.380 nan 0.000 0.423 488 E N 0.738 120.799 120.200 -0.232 0.000 2.058 488 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 488 E C 2.075 178.503 176.600 -0.288 0.000 0.997 488 E CA 1.225 57.495 56.400 -0.215 0.000 0.801 488 E CB -0.062 29.537 29.700 -0.168 0.000 0.746 488 E HN 0.505 nan 8.360 nan 0.000 0.450 489 I N -1.949 118.362 120.570 -0.432 0.000 2.439 489 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 489 I C 2.375 178.239 176.117 -0.421 0.000 1.139 489 I CA 1.233 62.273 61.300 -0.435 0.000 1.438 489 I CB -0.324 37.331 38.000 -0.575 0.000 1.085 489 I HN -0.018 nan 8.210 nan 0.000 0.427 490 A N 1.570 124.076 122.820 -0.523 0.000 1.933 490 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 490 A C 1.814 179.124 177.584 -0.456 0.000 1.175 490 A CA 2.023 53.631 52.037 -0.714 0.000 0.628 490 A CB -0.736 17.457 19.000 -1.345 0.000 0.814 490 A HN 0.486 nan 8.150 nan 0.000 0.444 491 D N -0.062 120.153 120.400 -0.308 0.000 2.350 491 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 491 D C 1.269 177.486 176.300 -0.139 0.000 0.968 491 D CA 0.790 54.687 54.000 -0.171 0.000 0.894 491 D CB -0.216 40.516 40.800 -0.114 0.000 0.909 491 D HN 0.669 nan 8.370 nan 0.000 0.520 492 E N -0.137 119.964 120.200 -0.165 0.000 2.489 492 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 492 E C 0.747 177.281 176.600 -0.109 0.000 1.057 492 E CA 0.157 56.483 56.400 -0.124 0.000 0.866 492 E CB 0.407 30.029 29.700 -0.130 0.000 0.916 492 E HN 0.267 nan 8.360 nan 0.000 0.500 493 T N -3.544 110.939 114.554 -0.119 0.000 2.883 493 T HA 0.366 4.716 4.350 -0.000 0.000 0.284 493 T C 0.790 175.439 174.700 -0.086 0.000 1.041 493 T CA -0.810 61.236 62.100 -0.090 0.000 1.007 493 T CB 0.849 69.714 68.868 -0.005 0.000 1.220 493 T HN -0.063 nan 8.240 nan 0.000 0.552 494 L N -0.370 120.774 121.223 -0.133 0.000 2.558 494 L HA 0.144 4.483 4.340 -0.000 0.000 0.225 494 L C 1.952 178.810 176.870 -0.020 0.000 1.128 494 L CA 0.245 55.029 54.840 -0.094 0.000 0.868 494 L CB -0.652 41.332 42.059 -0.125 0.000 1.006 494 L HN 0.666 nan 8.230 nan 0.000 0.454 495 Y N 0.686 121.016 120.300 0.049 0.000 2.193 495 Y HA -0.166 4.384 4.550 -0.000 0.000 0.285 495 Y C -0.208 175.948 175.900 0.427 0.000 1.166 495 Y CA 1.376 59.621 58.100 0.241 0.000 1.181 495 Y CB -1.919 36.633 38.460 0.154 0.000 0.976 495 Y HN 0.217 nan 8.280 nan 0.000 0.520 496 P HA -0.168 nan 4.420 nan 0.000 0.226 496 P C 1.199 178.772 177.300 0.455 0.000 1.146 496 P CA 1.553 64.979 63.100 0.543 0.000 0.773 496 P CB -0.229 31.645 31.700 0.290 0.000 0.772 497 M N -2.207 117.572 119.600 0.298 0.000 2.630 497 M HA -0.015 4.464 4.480 -0.000 0.000 0.254 497 M C 0.074 176.505 176.300 0.218 0.000 1.092 497 M CA 1.015 56.441 55.300 0.211 0.000 1.087 497 M CB -0.433 32.254 32.600 0.146 0.000 1.453 497 M HN -0.188 nan 8.290 nan 0.000 0.509 498 T N 0.422 115.153 114.554 0.294 0.000 2.753 498 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 498 T C 1.000 175.796 174.700 0.160 0.000 0.981 498 T CA -0.357 61.834 62.100 0.151 0.000 0.956 498 T CB 1.585 70.493 68.868 0.067 0.000 0.936 498 T HN 0.255 nan 8.240 nan 0.000 0.463 499 A N 3.091 125.962 122.820 0.085 0.000 2.024 499 A HA -0.101 4.218 4.320 -0.000 0.000 0.220 499 A C 2.362 179.988 177.584 0.070 0.000 1.164 499 A CA 1.850 53.962 52.037 0.125 0.000 0.643 499 A CB -0.642 18.383 19.000 0.041 0.000 0.806 499 A HN 0.804 nan 8.150 nan 0.000 0.451 500 S N -2.084 113.530 115.700 -0.142 0.000 2.474 500 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 500 S C 1.362 175.813 174.600 -0.249 0.000 0.997 500 S CA 0.650 58.692 58.200 -0.263 0.000 0.949 500 S CB -0.800 62.123 63.200 -0.461 0.000 0.766 500 S HN 0.787 nan 8.310 nan 0.000 0.517 501 W N 0.515 121.728 121.300 -0.146 0.000 3.256 501 W HA 0.382 5.042 4.660 -0.000 0.000 0.269 501 W C -0.327 175.775 176.519 -0.695 0.000 1.310 501 W CA -1.032 56.005 57.345 -0.514 0.000 1.673 501 W CB 0.107 29.114 29.460 -0.754 0.000 1.115 501 W HN 0.203 nan 8.180 nan 0.000 0.686 502 Y N 0.091 120.425 120.300 0.057 0.000 2.468 502 Y HA 0.299 4.848 4.550 -0.000 0.000 0.342 502 Y C 0.693 176.607 175.900 0.023 0.000 1.021 502 Y CA -1.599 56.522 58.100 0.036 0.000 1.079 502 Y CB 1.441 39.949 38.460 0.079 0.000 1.226 502 Y HN -0.375 nan 8.280 nan 0.000 0.460 503 T N 0.587 115.253 114.554 0.187 0.000 2.727 503 T HA 0.615 4.965 4.350 -0.000 0.000 0.298 503 T C 0.363 175.159 174.700 0.160 0.000 0.942 503 T CA 0.117 62.311 62.100 0.156 0.000 0.997 503 T CB -0.125 68.847 68.868 0.175 0.000 0.917 503 T HN 1.343 nan 8.240 nan 0.000 0.487 504 G N 2.710 111.587 108.800 0.128 0.000 2.829 504 G HA2 0.326 4.286 3.960 -0.000 0.000 0.628 504 G HA3 0.326 4.286 3.960 -0.000 0.000 0.628 504 G C 0.024 174.967 174.900 0.071 0.000 1.412 504 G CA -0.446 44.710 45.100 0.093 0.000 0.864 504 G HN 1.631 nan 8.290 nan 0.000 0.544 505 A N 0.060 122.901 122.820 0.034 0.000 2.287 505 A HA 0.653 4.972 4.320 -0.000 0.000 0.273 505 A C 0.767 178.333 177.584 -0.030 0.000 1.091 505 A CA 0.415 52.450 52.037 -0.003 0.000 0.817 505 A CB 0.512 19.511 19.000 -0.003 0.000 1.069 505 A HN 1.513 nan 8.150 nan 0.000 0.492 506 N N 0.175 118.829 118.700 -0.076 0.000 2.452 506 N HA 0.281 5.021 4.740 -0.000 0.000 0.266 506 N C -1.176 174.309 175.510 -0.041 0.000 1.175 506 N CA 0.287 53.284 53.050 -0.090 0.000 0.945 506 N CB 0.367 38.781 38.487 -0.123 0.000 1.063 506 N HN 0.251 nan 8.380 nan 0.000 0.472 507 V N 6.314 126.214 119.914 -0.023 0.000 2.407 507 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 507 V C -2.046 174.045 176.094 -0.005 0.000 1.018 507 V CA -1.740 60.555 62.300 -0.008 0.000 0.842 507 V CB 1.672 33.499 31.823 0.006 0.000 0.996 507 V HN 0.644 nan 8.190 nan 0.000 0.426 508 P HA 0.157 nan 4.420 nan 0.000 0.263 508 P C 1.025 178.327 177.300 0.004 0.000 1.175 508 P CA 1.490 64.589 63.100 -0.003 0.000 0.761 508 P CB 0.460 32.159 31.700 -0.003 0.000 0.794 509 G N 0.924 109.728 108.800 0.006 0.000 2.162 509 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 509 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 509 G C 0.084 174.994 174.900 0.017 0.000 0.976 509 G CA 0.024 45.131 45.100 0.011 0.000 0.655 509 G HN 0.526 nan 8.290 nan 0.000 0.533 510 K N 0.441 120.852 120.400 0.018 0.000 2.385 510 K HA 0.578 4.897 4.320 -0.000 0.000 0.248 510 K C -2.250 174.368 176.600 0.030 0.000 0.955 510 K CA -1.753 54.550 56.287 0.027 0.000 0.816 510 K CB 2.189 34.706 32.500 0.029 0.000 1.250 510 K HN 0.113 nan 8.250 nan 0.000 0.434 511 P HA 0.289 nan 4.420 nan 0.000 0.272 511 P C -0.885 176.452 177.300 0.061 0.000 1.230 511 P CA -0.404 62.726 63.100 0.050 0.000 0.788 511 P CB 0.911 32.645 31.700 0.057 0.000 0.949 512 R N 0.673 121.219 120.500 0.077 0.000 2.515 512 R HA 0.490 4.830 4.340 -0.000 0.000 0.291 512 R C -1.628 174.788 176.300 0.194 0.000 1.046 512 R CA -0.647 55.529 56.100 0.126 0.000 0.914 512 R CB 1.573 31.915 30.300 0.070 0.000 1.191 512 R HN 0.224 nan 8.270 nan 0.000 0.435 513 V N 5.531 125.570 119.914 0.208 0.000 2.384 513 V HA 0.349 4.469 4.120 -0.000 0.000 0.287 513 V C -0.239 175.917 176.094 0.104 0.000 1.020 513 V CA -0.764 61.614 62.300 0.131 0.000 0.850 513 V CB 1.175 32.994 31.823 -0.006 0.000 0.987 513 V HN 0.632 nan 8.190 nan 0.000 0.436 514 F N 4.474 124.357 119.950 -0.112 0.000 2.518 514 F HA 0.209 4.735 4.527 -0.000 0.000 0.359 514 F C 1.267 176.846 175.800 -0.368 0.000 1.118 514 F CA -0.014 57.715 58.000 -0.453 0.000 1.287 514 F CB 1.327 40.104 39.000 -0.371 0.000 1.132 514 F HN 0.598 nan 8.300 nan 0.000 0.587 515 M N 4.548 123.456 119.600 -1.154 0.000 2.254 515 M HA 0.179 4.659 4.480 -0.000 0.000 0.265 515 M C -0.801 175.133 176.300 -0.610 0.000 1.066 515 M CA 1.720 56.579 55.300 -0.735 0.000 1.123 515 M CB -0.079 32.168 32.600 -0.588 0.000 1.388 515 M HN 0.449 nan 8.290 nan 0.000 0.425 516 L N -1.291 119.495 121.223 -0.729 0.000 2.371 516 L HA 0.307 4.646 4.340 -0.000 0.000 0.262 516 L C -1.275 175.508 176.870 -0.145 0.000 1.006 516 L CA -1.270 53.309 54.840 -0.435 0.000 0.818 516 L CB 1.612 43.245 42.059 -0.710 0.000 1.354 516 L HN -0.092 nan 8.230 nan 0.000 0.415 517 Y N 1.518 121.674 120.300 -0.241 0.000 2.436 517 Y HA 0.247 4.797 4.550 -0.000 0.000 0.336 517 Y C 0.748 176.496 175.900 -0.254 0.000 1.049 517 Y CA -0.184 57.788 58.100 -0.212 0.000 1.294 517 Y CB 1.135 39.532 38.460 -0.106 0.000 1.179 517 Y HN 0.273 nan 8.280 nan 0.000 0.520 518 V N 3.021 122.529 119.914 -0.676 0.000 3.376 518 V HA 0.370 4.490 4.120 -0.000 0.000 0.313 518 V C 1.314 177.088 176.094 -0.534 0.000 1.393 518 V CA 0.814 62.784 62.300 -0.550 0.000 1.125 518 V CB 0.110 31.616 31.823 -0.529 0.000 1.037 518 V HN 0.938 nan 8.190 nan 0.000 0.440 519 G N 0.387 108.599 108.800 -0.980 0.000 2.920 519 G HA2 0.474 4.434 3.960 -0.000 0.000 0.208 519 G HA3 0.474 4.434 3.960 -0.000 0.000 0.208 519 G C 0.879 175.765 174.900 -0.024 0.000 1.159 519 G CA 0.475 45.249 45.100 -0.543 0.000 0.784 519 G HN 1.643 nan 8.290 nan 0.000 0.535 520 G N -1.368 107.498 108.800 0.111 0.000 2.885 520 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.685 520 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.685 520 G C 0.069 175.163 174.900 0.324 0.000 1.216 520 G CA -0.065 45.157 45.100 0.202 0.000 0.790 520 G HN 0.416 nan 8.290 nan 0.000 0.631 521 F N 1.902 121.960 119.950 0.180 0.000 2.102 521 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 521 F C 2.346 178.285 175.800 0.232 0.000 1.105 521 F CA 2.738 60.849 58.000 0.186 0.000 1.239 521 F CB -0.197 38.869 39.000 0.109 0.000 0.991 521 F HN 0.821 nan 8.300 nan 0.000 0.474 522 H N 0.439 119.531 119.070 0.037 0.000 2.352 522 H HA -0.154 4.402 4.556 0.000 0.000 0.299 522 H C 2.538 177.797 175.328 -0.114 0.000 1.097 522 H CA 2.366 58.370 56.048 -0.073 0.000 1.311 522 H CB -0.420 29.383 29.762 0.068 0.000 1.377 522 H HN 0.305 nan 8.280 nan 0.000 0.504 523 R N -1.177 119.248 120.500 -0.125 0.000 2.096 523 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 523 R C 2.080 178.306 176.300 -0.123 0.000 1.127 523 R CA 1.643 57.675 56.100 -0.113 0.000 0.968 523 R CB -0.545 29.829 30.300 0.124 0.000 0.861 523 R HN 0.477 nan 8.270 nan 0.000 0.440 524 Y N 1.086 121.246 120.300 -0.234 0.000 2.200 524 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 524 Y C 2.461 178.082 175.900 -0.465 0.000 1.137 524 Y CA 1.588 59.428 58.100 -0.433 0.000 1.163 524 Y CB -0.195 37.960 38.460 -0.508 0.000 0.988 524 Y HN -0.060 nan 8.280 nan 0.000 0.518 525 R N 0.721 120.854 120.500 -0.611 0.000 2.083 525 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 525 R C 2.063 178.111 176.300 -0.419 0.000 1.137 525 R CA 2.339 58.095 56.100 -0.574 0.000 0.951 525 R CB -0.465 29.479 30.300 -0.595 0.000 0.851 525 R HN 0.570 nan 8.270 nan 0.000 0.434 526 Q N -0.018 119.537 119.800 -0.409 0.000 2.096 526 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 526 Q C 2.320 178.163 176.000 -0.263 0.000 0.982 526 Q CA 1.820 57.442 55.803 -0.301 0.000 0.850 526 Q CB -0.182 28.363 28.738 -0.322 0.000 0.901 526 Q HN 0.396 nan 8.270 nan 0.000 0.422 527 I N 0.153 120.532 120.570 -0.319 0.000 2.127 527 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 527 I C 2.417 178.310 176.117 -0.372 0.000 1.075 527 I CA 0.976 62.087 61.300 -0.315 0.000 1.334 527 I CB -0.405 37.393 38.000 -0.336 0.000 1.040 527 I HN 0.330 nan 8.210 nan 0.000 0.405 528 C N 0.468 119.435 119.300 -0.556 0.000 2.425 528 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 528 C C 2.424 177.410 174.990 -0.007 0.000 1.280 528 C CA 0.742 59.490 59.018 -0.450 0.000 1.744 528 C CB -1.077 26.219 27.740 -0.740 0.000 1.989 528 C HN 0.525 nan 8.230 nan 0.000 0.491 529 D N 0.500 120.852 120.400 -0.080 0.000 2.117 529 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 529 D C 2.122 178.375 176.300 -0.079 0.000 0.982 529 D CA 1.042 55.021 54.000 -0.034 0.000 0.828 529 D CB -0.433 40.333 40.800 -0.057 0.000 0.967 529 D HN 0.570 nan 8.370 nan 0.000 0.464 530 E N 0.084 120.226 120.200 -0.097 0.000 2.077 530 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 530 E C 2.225 178.773 176.600 -0.088 0.000 0.989 530 E CA 0.584 56.930 56.400 -0.090 0.000 0.800 530 E CB 0.117 29.767 29.700 -0.083 0.000 0.746 530 E HN 0.030 nan 8.360 nan 0.000 0.452 531 V N 1.100 120.979 119.914 -0.059 0.000 2.295 531 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 531 V C 2.254 178.236 176.094 -0.186 0.000 1.049 531 V CA 1.940 64.241 62.300 0.001 0.000 1.024 531 V CB -0.662 31.236 31.823 0.125 0.000 0.648 531 V HN 0.356 nan 8.190 nan 0.000 0.447 532 A N -0.201 122.442 122.820 -0.296 0.000 1.898 532 A HA -0.082 4.237 4.320 -0.000 0.000 0.216 532 A C 2.410 179.576 177.584 -0.697 0.000 1.181 532 A CA 1.966 53.446 52.037 -0.929 0.000 0.620 532 A CB -0.777 17.788 19.000 -0.725 0.000 0.819 532 A HN 0.574 nan 8.150 nan 0.000 0.442 533 A N -0.188 122.425 122.820 -0.346 0.000 1.933 533 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 533 A C 1.822 179.295 177.584 -0.185 0.000 1.175 533 A CA 1.592 53.496 52.037 -0.221 0.000 0.628 533 A CB -0.350 18.573 19.000 -0.129 0.000 0.814 533 A HN 0.492 nan 8.150 nan 0.000 0.444 534 K N -0.593 119.702 120.400 -0.175 0.000 2.627 534 K HA 0.269 4.589 4.320 -0.000 0.000 0.212 534 K C 0.711 177.246 176.600 -0.108 0.000 1.041 534 K CA 0.353 56.579 56.287 -0.100 0.000 1.205 534 K CB -0.430 32.041 32.500 -0.048 0.000 0.936 534 K HN 0.606 nan 8.250 nan 0.000 0.489 535 G N 1.224 109.884 108.800 -0.233 0.000 2.221 535 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.265 535 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.265 535 G C -0.287 174.565 174.900 -0.079 0.000 1.041 535 G CA 0.055 45.046 45.100 -0.181 0.000 0.807 535 G HN 0.482 nan 8.290 nan 0.000 0.502 536 Y N -2.371 117.872 120.300 -0.095 0.000 3.380 536 Y HA -0.205 4.345 4.550 -0.000 0.000 0.211 536 Y C 0.895 176.951 175.900 0.261 0.000 1.394 536 Y CA 0.729 58.867 58.100 0.065 0.000 1.479 536 Y CB -1.906 36.506 38.460 -0.079 0.000 1.483 536 Y HN 0.760 nan 8.280 nan 0.000 0.566 537 E N 1.145 121.485 120.200 0.233 0.000 2.694 537 E HA 0.214 4.564 4.350 -0.000 0.000 0.250 537 E C 1.450 178.219 176.600 0.283 0.000 0.963 537 E CA 1.426 57.947 56.400 0.201 0.000 0.949 537 E CB -0.007 29.762 29.700 0.115 0.000 0.911 537 E HN 0.811 nan 8.360 nan 0.000 0.500 538 G N 3.731 112.591 108.800 0.099 0.000 2.194 538 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 538 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 538 G C -0.182 174.487 174.900 -0.385 0.000 0.987 538 G CA -0.003 44.931 45.100 -0.277 0.000 0.635 538 G HN 0.477 nan 8.290 nan 0.000 0.520 539 F N -0.195 119.821 119.950 0.110 0.000 2.480 539 F HA 0.670 5.196 4.527 -0.000 0.000 0.329 539 F C 0.444 176.313 175.800 0.115 0.000 1.091 539 F CA -0.925 57.160 58.000 0.141 0.000 0.972 539 F CB 2.263 41.404 39.000 0.235 0.000 1.150 539 F HN 0.045 nan 8.300 nan 0.000 0.467 540 V N 5.804 125.876 119.914 0.263 0.000 2.364 540 V HA 0.515 4.634 4.120 -0.000 0.000 0.272 540 V C -0.875 175.355 176.094 0.226 0.000 1.036 540 V CA -0.411 62.005 62.300 0.192 0.000 0.880 540 V CB 0.654 32.540 31.823 0.105 0.000 0.991 540 V HN 0.581 nan 8.190 nan 0.000 0.460 541 L N 7.580 128.929 121.223 0.210 0.000 2.305 541 L HA 0.726 5.066 4.340 -0.000 0.000 0.284 541 L C 0.300 177.245 176.870 0.125 0.000 1.013 541 L CA -0.312 54.642 54.840 0.189 0.000 0.819 541 L CB 1.836 44.028 42.059 0.221 0.000 1.227 541 L HN 0.781 nan 8.230 nan 0.000 0.417 542 T N 0.000 114.611 114.554 0.095 0.000 3.816 542 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 542 T CA 0.000 62.132 62.100 0.054 0.000 1.349 542 T CB 0.000 68.896 68.868 0.047 0.000 0.612 542 T HN 0.000 nan 8.240 nan 0.000 0.658