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 3alx_1_D DATA FIRST_RESID 30 DATA SEQUENCE MNcPKIVQQL GSDVLLPLTH EXXXXXXNKS IHIVVTMAKS LENSVENKIV DATA SEQUENCE SLDPSEAGPP RYLKDRYRFY LEHLSLAIYE STKKDEGWYF MTLEKNISVQ DATA SEQUENCE RFcLHLKLYE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XPTTIRGQFS NMSLSLLDLY LGRGYNVSSI VTMTSQGMYG DATA SEQUENCE GTYLVEKPXX XXXXXXXXQL SMYRVFEVGV IRNPGLGAPV FHMTNYLEQP DATA SEQUENCE VSNDLSNcMV ALGELKLAAL cHGEDSITIP YXXSGKGVSF QLVKLGVWKS DATA SEQUENCE PTDMQSWVPL STDDPVIDRL YLSSHRGVIA DNQAKWAVPT TRTDDKLRME DATA SEQUENCE TcFQQAcKGK IQALcENPEW APLKDNRIPS YGVLSVDLSL TVELKIKIAS DATA SEQUENCE GFGPLITHGS GMDLYKSNHN NVYWLTIPPM KNLALGVINT LEWIPRFKVS DATA SEQUENCE PYRFTVPIKE AGGDcHAPTY LPAEVDGDVK LSSNLVILPG QDLQYVLATY DATA SEQUENCE DTSRVEHAVV YYVYSPSRSF SYFYPFRLPI KGVPIELQVE cFTWDQKLWc DATA SEQUENCE RHFCVLADXX XXGHITHSGM VGMGVSC 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 30 M HA 0.000 nan 4.480 nan 0.000 0.227 30 M C 0.000 176.372 176.300 0.119 0.000 1.140 30 M CA 0.000 55.370 55.300 0.116 0.000 0.988 30 M CB 0.000 32.644 32.600 0.073 0.000 1.302 31 N N -0.320 118.464 118.700 0.140 0.000 2.280 31 N HA 0.326 5.066 4.740 -0.000 0.000 0.192 31 N C -0.910 174.728 175.510 0.213 0.000 1.109 31 N CA 0.326 53.467 53.050 0.151 0.000 0.855 31 N CB 0.848 39.418 38.487 0.139 0.000 0.974 31 N HN 0.433 nan 8.380 nan 0.000 0.482 32 c N 1.560 120.310 118.600 0.251 0.000 2.356 32 c HA 0.498 5.068 4.570 -0.000 0.000 0.324 32 c C -2.389 171.854 174.090 0.255 0.000 1.167 32 c CA -2.190 54.321 56.329 0.304 0.000 1.420 32 c CB -0.187 42.599 42.510 0.460 0.000 2.036 32 c HN 0.204 nan 8.230 nan 0.000 0.435 33 P HA 0.063 nan 4.420 nan 0.000 0.266 33 P C -1.032 176.349 177.300 0.135 0.000 1.180 33 P CA 0.794 63.992 63.100 0.163 0.000 0.765 33 P CB 0.311 32.120 31.700 0.182 0.000 0.806 34 K N 2.915 123.365 120.400 0.084 0.000 2.397 34 K HA 0.635 4.955 4.320 -0.000 0.000 0.253 34 K C -0.294 176.300 176.600 -0.009 0.000 0.932 34 K CA -0.749 55.558 56.287 0.032 0.000 0.795 34 K CB 1.801 34.325 32.500 0.041 0.000 1.159 34 K HN 0.425 nan 8.250 nan 0.000 0.424 35 I N -1.214 119.324 120.570 -0.053 0.000 2.689 35 I HA 0.689 4.859 4.170 -0.000 0.000 0.299 35 I C -0.872 175.198 176.117 -0.079 0.000 1.059 35 I CA -1.286 59.983 61.300 -0.052 0.000 1.055 35 I CB 2.024 39.993 38.000 -0.051 0.000 1.243 35 I HN 0.190 nan 8.210 nan 0.000 0.425 36 V N 4.378 124.275 119.914 -0.029 0.000 2.709 36 V HA 0.531 4.651 4.120 -0.000 0.000 0.308 36 V C -0.358 175.781 176.094 0.074 0.000 1.062 36 V CA -0.369 61.938 62.300 0.013 0.000 0.901 36 V CB 1.792 33.668 31.823 0.089 0.000 1.003 36 V HN 0.900 nan 8.190 nan 0.000 0.425 37 Q N 1.106 120.900 119.800 -0.009 0.000 2.668 37 Q HA 0.430 4.770 4.340 -0.000 0.000 0.298 37 Q C 0.147 175.889 176.000 -0.429 0.000 1.071 37 Q CA -0.959 54.811 55.803 -0.056 0.000 0.789 37 Q CB 1.827 30.508 28.738 -0.095 0.000 1.497 37 Q HN 0.634 nan 8.270 nan 0.000 0.460 38 Q N 0.402 119.970 119.800 -0.386 0.000 1.575 38 Q HA -0.250 4.090 4.340 -0.000 0.000 0.488 38 Q C 0.794 176.334 176.000 -0.766 0.000 1.023 38 Q CA 3.087 58.517 55.803 -0.622 0.000 0.865 38 Q CB -0.199 28.407 28.738 -0.221 0.000 0.953 38 Q HN 0.567 nan 8.270 nan 0.000 0.380 39 L N -5.411 115.585 121.223 -0.379 0.000 1.243 39 L HA 0.237 4.577 4.340 -0.000 0.000 0.062 39 L C 1.117 177.893 176.870 -0.157 0.000 1.505 39 L CA 1.431 56.108 54.840 -0.273 0.000 1.129 39 L CB -0.634 41.277 42.059 -0.247 0.000 2.290 39 L HN 0.385 nan 8.230 nan 0.000 0.443 40 G N 1.161 109.887 108.800 -0.123 0.000 3.233 40 G HA2 0.288 4.248 3.960 -0.000 0.000 0.227 40 G HA3 0.288 4.248 3.960 -0.000 0.000 0.227 40 G C 0.387 175.248 174.900 -0.065 0.000 1.175 40 G CA 0.565 45.619 45.100 -0.076 0.000 0.781 40 G HN 0.554 nan 8.290 nan 0.000 0.542 41 S N -0.474 115.174 115.700 -0.087 0.000 2.617 41 S HA 0.217 4.687 4.470 -0.000 0.000 0.259 41 S C -0.162 174.418 174.600 -0.034 0.000 1.301 41 S CA -0.448 57.715 58.200 -0.061 0.000 0.984 41 S CB 1.416 64.566 63.200 -0.084 0.000 0.954 41 S HN -0.023 nan 8.310 nan 0.000 0.572 42 D N 0.532 120.935 120.400 0.005 0.000 3.060 42 D HA 0.206 4.846 4.640 -0.000 0.000 0.245 42 D C -0.096 176.206 176.300 0.003 0.000 1.274 42 D CA -0.105 53.935 54.000 0.067 0.000 0.864 42 D CB -0.196 40.711 40.800 0.177 0.000 1.073 42 D HN 0.463 nan 8.370 nan 0.000 0.473 43 V N 1.523 121.402 119.914 -0.059 0.000 2.800 43 V HA -0.150 3.970 4.120 -0.000 0.000 0.299 43 V C -0.327 175.704 176.094 -0.105 0.000 1.151 43 V CA 0.387 62.631 62.300 -0.094 0.000 1.297 43 V CB 0.003 31.746 31.823 -0.133 0.000 0.835 43 V HN 0.184 nan 8.190 nan 0.000 0.484 44 L N 7.952 129.122 121.223 -0.089 0.000 2.313 44 L HA 0.670 5.010 4.340 -0.000 0.000 0.283 44 L C -0.754 176.062 176.870 -0.089 0.000 1.013 44 L CA -0.295 54.493 54.840 -0.087 0.000 0.816 44 L CB 1.565 43.573 42.059 -0.084 0.000 1.236 44 L HN 0.618 nan 8.230 nan 0.000 0.419 45 L N 7.573 128.749 121.223 -0.080 0.000 2.309 45 L HA 0.629 4.969 4.340 -0.000 0.000 0.282 45 L C -2.005 174.850 176.870 -0.025 0.000 1.036 45 L CA -1.255 53.542 54.840 -0.072 0.000 0.806 45 L CB 1.506 43.496 42.059 -0.115 0.000 1.220 45 L HN 0.520 nan 8.230 nan 0.000 0.429 46 P HA 0.207 nan 4.420 nan 0.000 0.206 46 P C 1.001 178.318 177.300 0.028 0.000 1.867 46 P CA -0.305 62.794 63.100 -0.002 0.000 0.991 46 P CB 0.275 31.975 31.700 0.001 0.000 1.822 47 L N -0.363 120.881 121.223 0.035 0.000 2.186 47 L HA -0.215 4.125 4.340 -0.000 0.000 0.221 47 L C 1.598 178.474 176.870 0.011 0.000 1.087 47 L CA 2.266 57.142 54.840 0.060 0.000 0.794 47 L CB -1.254 40.853 42.059 0.079 0.000 0.893 47 L HN 0.371 nan 8.230 nan 0.000 0.442 48 T N -3.473 111.018 114.554 -0.106 0.000 2.888 48 T HA 0.423 4.773 4.350 -0.000 0.000 0.288 48 T C -0.178 174.499 174.700 -0.038 0.000 1.063 48 T CA -0.624 61.370 62.100 -0.176 0.000 1.010 48 T CB 1.965 70.549 68.868 -0.473 0.000 1.214 48 T HN 0.358 nan 8.240 nan 0.000 0.533 49 H N -0.496 118.615 119.070 0.068 0.000 2.947 49 H HA 0.599 5.154 4.556 -0.000 0.000 0.222 49 H C -0.795 174.568 175.328 0.058 0.000 1.414 49 H CA -0.674 55.402 56.048 0.047 0.000 1.224 49 H CB 0.110 29.907 29.762 0.057 0.000 2.100 49 H HN 0.730 nan 8.280 nan 0.000 0.524 58 K N 2.521 122.946 120.400 0.041 0.000 2.278 58 K HA 0.316 4.636 4.320 -0.000 0.000 0.289 58 K C 0.493 177.115 176.600 0.036 0.000 1.080 58 K CA -0.118 56.193 56.287 0.040 0.000 0.934 58 K CB 0.335 32.855 32.500 0.033 0.000 1.093 58 K HN 0.391 nan 8.250 nan 0.000 0.459 59 S N 2.504 118.229 115.700 0.043 0.000 2.136 59 S HA 0.193 4.663 4.470 -0.000 0.000 0.205 59 S C 1.181 175.799 174.600 0.029 0.000 1.346 59 S CA 0.105 58.326 58.200 0.035 0.000 1.084 59 S CB -0.002 63.224 63.200 0.043 0.000 0.767 59 S HN 0.497 nan 8.310 nan 0.000 0.423 60 I N -0.689 119.901 120.570 0.034 0.000 4.774 60 I HA 0.312 4.482 4.170 -0.000 0.000 0.330 60 I C 0.307 176.476 176.117 0.087 0.000 1.287 60 I CA 0.076 61.400 61.300 0.041 0.000 1.311 60 I CB 0.523 38.537 38.000 0.023 0.000 1.315 60 I HN 0.616 nan 8.210 nan 0.000 0.459 61 H N 2.052 121.095 119.070 -0.045 0.000 3.099 61 H HA 0.515 5.071 4.556 -0.000 0.000 0.342 61 H C -1.850 173.442 175.328 -0.060 0.000 1.054 61 H CA -0.437 55.576 56.048 -0.059 0.000 1.328 61 H CB 2.221 31.936 29.762 -0.078 0.000 1.876 61 H HN -0.063 nan 8.280 nan 0.000 0.495 62 I N 5.191 125.560 120.570 -0.335 0.000 2.441 62 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 62 I C -0.215 175.712 176.117 -0.317 0.000 0.994 62 I CA -0.965 60.200 61.300 -0.226 0.000 1.144 62 I CB 1.991 39.836 38.000 -0.257 0.000 1.314 62 I HN 0.179 nan 8.210 nan 0.000 0.445 63 V N 6.346 126.210 119.914 -0.082 0.000 2.914 63 V HA 0.490 4.610 4.120 -0.000 0.000 0.314 63 V C -0.478 175.569 176.094 -0.078 0.000 1.084 63 V CA -0.667 61.610 62.300 -0.038 0.000 0.963 63 V CB 2.796 34.776 31.823 0.261 0.000 1.025 63 V HN 0.401 nan 8.190 nan 0.000 0.432 64 V N 2.203 122.037 119.914 -0.133 0.000 2.443 64 V HA 0.328 4.448 4.120 -0.000 0.000 0.272 64 V C 0.212 176.266 176.094 -0.066 0.000 1.002 64 V CA -0.199 62.056 62.300 -0.076 0.000 0.840 64 V CB 1.445 33.173 31.823 -0.158 0.000 1.042 64 V HN 1.041 nan 8.190 nan 0.000 0.446 65 T N 3.662 118.217 114.554 0.001 0.000 2.770 65 T HA 0.717 5.067 4.350 -0.000 0.000 0.281 65 T C -0.380 174.348 174.700 0.048 0.000 0.981 65 T CA -0.365 61.721 62.100 -0.024 0.000 0.955 65 T CB 1.413 70.215 68.868 -0.109 0.000 1.060 65 T HN 0.504 nan 8.240 nan 0.000 0.531 66 M N 1.813 121.421 119.600 0.014 0.000 2.296 66 M HA 0.498 4.978 4.480 -0.000 0.000 0.268 66 M C -0.737 175.580 176.300 0.029 0.000 1.048 66 M CA -0.668 54.547 55.300 -0.141 0.000 0.966 66 M CB 1.276 33.514 32.600 -0.603 0.000 1.912 66 M HN 0.950 nan 8.290 nan 0.000 0.484 67 A N 3.817 126.773 122.820 0.225 0.000 3.054 67 A HA 0.771 5.091 4.320 -0.000 0.000 0.207 67 A C 0.641 178.346 177.584 0.202 0.000 1.942 67 A CA 0.322 52.513 52.037 0.257 0.000 0.878 67 A CB 0.636 19.887 19.000 0.418 0.000 1.860 67 A HN 0.845 nan 8.150 nan 0.000 0.706 68 K N -2.601 117.970 120.400 0.285 0.000 2.907 68 K HA 0.177 4.497 4.320 -0.000 0.000 0.175 68 K C 0.173 177.007 176.600 0.390 0.000 1.860 68 K CA 0.844 57.294 56.287 0.272 0.000 1.404 68 K CB 0.049 32.640 32.500 0.151 0.000 2.100 68 K HN 0.622 nan 8.250 nan 0.000 0.616 69 S N -0.201 115.683 115.700 0.307 0.000 2.667 69 S HA 0.442 4.912 4.470 -0.000 0.000 0.292 69 S C 0.372 174.974 174.600 0.003 0.000 1.126 69 S CA -0.509 57.858 58.200 0.279 0.000 0.881 69 S CB 1.195 64.459 63.200 0.108 0.000 1.132 69 S HN 0.008 nan 8.310 nan 0.000 0.492 70 L N 2.024 123.157 121.223 -0.150 0.000 2.179 70 L HA 0.266 4.606 4.340 -0.000 0.000 0.208 70 L C 1.925 178.659 176.870 -0.225 0.000 1.096 70 L CA 1.826 56.400 54.840 -0.444 0.000 0.779 70 L CB -0.664 41.212 42.059 -0.306 0.000 0.922 70 L HN 0.797 nan 8.230 nan 0.000 0.443 71 E N -1.021 119.101 120.200 -0.130 0.000 2.067 71 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 71 E C 0.298 176.780 176.600 -0.198 0.000 0.950 71 E CA -0.115 56.210 56.400 -0.126 0.000 0.872 71 E CB -0.092 29.547 29.700 -0.101 0.000 0.877 71 E HN 0.409 nan 8.360 nan 0.000 0.470 72 N N 2.371 120.941 118.700 -0.217 0.000 2.406 72 N HA 0.047 4.787 4.740 -0.000 0.000 0.269 72 N C -0.716 174.713 175.510 -0.134 0.000 1.210 72 N CA -0.120 52.756 53.050 -0.291 0.000 0.966 72 N CB 0.467 38.803 38.487 -0.251 0.000 1.293 72 N HN 0.100 nan 8.380 nan 0.000 0.491 73 S N -0.144 115.481 115.700 -0.124 0.000 2.697 73 S HA 0.552 5.022 4.470 -0.000 0.000 0.289 73 S C 0.181 174.759 174.600 -0.037 0.000 1.149 73 S CA -0.705 57.456 58.200 -0.064 0.000 0.850 73 S CB 2.142 65.278 63.200 -0.107 0.000 1.151 73 S HN 0.088 nan 8.310 nan 0.000 0.491 74 V N -0.367 119.537 119.914 -0.016 0.000 3.356 74 V HA 0.395 4.515 4.120 -0.000 0.000 0.274 74 V C 0.125 176.224 176.094 0.007 0.000 1.631 74 V CA 0.013 62.311 62.300 -0.003 0.000 1.025 74 V CB -0.782 31.050 31.823 0.015 0.000 0.840 74 V HN 1.062 nan 8.190 nan 0.000 0.419 75 E N 1.619 121.839 120.200 0.034 0.000 2.320 75 E HA -0.210 4.140 4.350 -0.000 0.000 0.234 75 E C -0.252 176.326 176.600 -0.037 0.000 1.183 75 E CA 0.079 56.501 56.400 0.037 0.000 0.713 75 E CB -0.890 28.828 29.700 0.029 0.000 1.226 75 E HN 0.633 nan 8.360 nan 0.000 0.382 76 N N 1.769 120.445 118.700 -0.040 0.000 2.359 76 N HA -0.047 4.693 4.740 -0.000 0.000 0.261 76 N C 0.138 175.585 175.510 -0.106 0.000 1.267 76 N CA 0.614 53.621 53.050 -0.071 0.000 0.864 76 N CB 0.539 38.991 38.487 -0.058 0.000 1.063 76 N HN 0.232 nan 8.380 nan 0.000 0.474 77 K N 2.544 122.877 120.400 -0.112 0.000 2.382 77 K HA 0.049 4.369 4.320 -0.000 0.000 0.275 77 K C 0.517 177.021 176.600 -0.160 0.000 1.009 77 K CA -0.101 56.106 56.287 -0.133 0.000 0.970 77 K CB 0.431 32.867 32.500 -0.106 0.000 0.934 77 K HN 0.418 nan 8.250 nan 0.000 0.479 78 I N 3.155 123.597 120.570 -0.213 0.000 4.032 78 I HA 0.089 4.259 4.170 -0.000 0.000 0.313 78 I C 0.067 176.032 176.117 -0.253 0.000 1.272 78 I CA 0.398 61.511 61.300 -0.310 0.000 1.307 78 I CB 0.666 38.380 38.000 -0.476 0.000 1.155 78 I HN 0.466 nan 8.210 nan 0.000 0.431 79 V N -0.459 119.298 119.914 -0.262 0.000 3.022 79 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 79 V C -1.373 174.511 176.094 -0.351 0.000 1.584 79 V CA -0.303 61.780 62.300 -0.361 0.000 0.974 79 V CB 2.097 33.580 31.823 -0.568 0.000 1.219 79 V HN 0.121 nan 8.190 nan 0.000 0.450 80 S N 5.432 120.932 115.700 -0.332 0.000 2.607 80 S HA 0.985 5.455 4.470 -0.000 0.000 0.303 80 S C -0.877 173.473 174.600 -0.417 0.000 1.086 80 S CA -0.568 57.441 58.200 -0.317 0.000 0.995 80 S CB 1.762 64.882 63.200 -0.134 0.000 1.084 80 S HN 1.112 nan 8.310 nan 0.000 0.507 81 L N 1.610 122.504 121.223 -0.549 0.000 2.724 81 L HA 0.495 4.835 4.340 -0.000 0.000 0.258 81 L C -2.368 174.259 176.870 -0.404 0.000 0.967 81 L CA -0.589 54.012 54.840 -0.399 0.000 0.891 81 L CB 2.202 44.060 42.059 -0.336 0.000 1.456 81 L HN 0.667 nan 8.230 nan 0.000 0.416 82 D N 4.507 124.788 120.400 -0.198 0.000 2.440 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.239 82 D C -1.712 174.558 176.300 -0.050 0.000 1.084 82 D CA -2.153 51.783 54.000 -0.106 0.000 0.843 82 D CB 1.982 42.758 40.800 -0.041 0.000 1.097 82 D HN 0.305 nan 8.370 nan 0.000 0.531 83 P HA -0.200 nan 4.420 nan 0.000 0.218 83 P C 0.576 177.881 177.300 0.008 0.000 1.146 83 P CA 0.875 63.977 63.100 0.004 0.000 0.820 83 P CB 0.059 31.768 31.700 0.015 0.000 0.778 84 S N 0.526 116.229 115.700 0.005 0.000 2.484 84 S HA 0.072 4.542 4.470 -0.000 0.000 0.256 84 S C 0.615 175.218 174.600 0.006 0.000 1.223 84 S CA -0.737 57.468 58.200 0.007 0.000 1.002 84 S CB -0.351 62.854 63.200 0.008 0.000 1.043 84 S HN 0.155 nan 8.310 nan 0.000 0.517 85 E N 0.439 120.643 120.200 0.006 0.000 2.442 85 E HA 0.338 4.688 4.350 -0.000 0.000 0.262 85 E C 0.230 176.832 176.600 0.004 0.000 1.004 85 E CA 0.301 56.705 56.400 0.006 0.000 0.928 85 E CB 0.701 30.405 29.700 0.007 0.000 0.937 85 E HN 1.094 nan 8.360 nan 0.000 0.446 86 A N 1.715 124.539 122.820 0.006 0.000 2.400 86 A HA 0.339 4.659 4.320 -0.000 0.000 0.202 86 A C 0.998 178.589 177.584 0.012 0.000 2.711 86 A CA 0.784 52.824 52.037 0.004 0.000 1.407 86 A CB -0.800 18.196 19.000 -0.007 0.000 0.690 86 A HN 1.499 nan 8.150 nan 0.000 0.481 87 G N 0.780 109.589 108.800 0.015 0.000 2.574 87 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.282 87 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.282 87 G C -2.014 172.907 174.900 0.034 0.000 1.257 87 G CA 0.179 45.291 45.100 0.020 0.000 0.956 87 G HN 0.876 nan 8.290 nan 0.000 0.560 88 P HA 0.324 nan 4.420 nan 0.000 0.268 88 P C -2.216 175.155 177.300 0.118 0.000 1.282 88 P CA -0.705 62.447 63.100 0.086 0.000 0.880 88 P CB 0.184 31.924 31.700 0.067 0.000 0.971 89 P HA -0.014 nan 4.420 nan 0.000 0.270 89 P C 0.318 177.650 177.300 0.052 0.000 1.221 89 P CA 0.070 63.183 63.100 0.022 0.000 0.788 89 P CB 0.387 32.039 31.700 -0.080 0.000 0.904 90 R N 1.441 121.904 120.500 -0.061 0.000 2.347 90 R HA 0.234 4.574 4.340 -0.000 0.000 0.304 90 R C -1.074 175.142 176.300 -0.140 0.000 1.072 90 R CA -0.046 56.047 56.100 -0.011 0.000 0.980 90 R CB -0.115 30.167 30.300 -0.030 0.000 0.986 90 R HN 0.457 nan 8.270 nan 0.000 0.448 91 Y N 3.960 124.266 120.300 0.010 0.000 2.587 91 Y HA 0.143 4.693 4.550 -0.000 0.000 0.328 91 Y C 1.278 177.194 175.900 0.026 0.000 0.980 91 Y CA -0.967 57.147 58.100 0.023 0.000 1.272 91 Y CB 1.443 39.947 38.460 0.074 0.000 1.094 91 Y HN 0.594 nan 8.280 nan 0.000 0.503 92 L N 0.071 121.335 121.223 0.068 0.000 2.786 92 L HA 0.221 4.561 4.340 -0.000 0.000 0.250 92 L C 0.075 176.995 176.870 0.082 0.000 1.151 92 L CA 0.675 55.545 54.840 0.049 0.000 0.910 92 L CB -0.312 41.739 42.059 -0.012 0.000 1.082 92 L HN 0.333 nan 8.230 nan 0.000 0.433 93 K N -0.981 119.521 120.400 0.171 0.000 2.617 93 K HA 0.299 4.619 4.320 -0.000 0.000 0.293 93 K C -0.174 176.619 176.600 0.321 0.000 1.034 93 K CA -0.598 55.821 56.287 0.219 0.000 0.884 93 K CB 0.878 33.505 32.500 0.213 0.000 1.541 93 K HN -0.076 nan 8.250 nan 0.000 0.409 94 D N 0.757 121.316 120.400 0.264 0.000 1.272 94 D HA -0.182 4.457 4.640 -0.000 0.000 0.328 94 D C -0.151 176.181 176.300 0.054 0.000 1.480 94 D CA 1.335 55.412 54.000 0.129 0.000 1.249 94 D CB 0.101 40.924 40.800 0.040 0.000 2.444 94 D HN 0.417 nan 8.370 nan 0.000 0.708 95 R N -0.104 120.296 120.500 -0.168 0.000 4.154 95 R HA 0.195 4.535 4.340 -0.000 0.000 0.186 95 R C -0.781 175.288 176.300 -0.385 0.000 1.750 95 R CA 0.102 56.094 56.100 -0.179 0.000 1.431 95 R CB -0.749 29.480 30.300 -0.119 0.000 1.383 95 R HN 0.243 nan 8.270 nan 0.000 0.788 96 Y N -0.228 120.059 120.300 -0.022 0.000 2.468 96 Y HA 0.559 5.109 4.550 -0.000 0.000 0.342 96 Y C 0.240 176.022 175.900 -0.196 0.000 1.021 96 Y CA -1.389 56.686 58.100 -0.042 0.000 1.079 96 Y CB 1.945 40.519 38.460 0.190 0.000 1.226 96 Y HN 0.074 nan 8.280 nan 0.000 0.460 97 R N 2.374 122.901 120.500 0.045 0.000 2.569 97 R HA 0.336 4.676 4.340 -0.000 0.000 0.293 97 R C -2.283 174.130 176.300 0.188 0.000 1.186 97 R CA -0.558 55.505 56.100 -0.063 0.000 0.956 97 R CB 0.380 30.636 30.300 -0.073 0.000 1.196 97 R HN 0.584 nan 8.270 nan 0.000 0.444 98 F N 5.373 125.500 119.950 0.295 0.000 2.390 98 F HA 0.366 4.893 4.527 -0.000 0.000 0.361 98 F C -1.059 174.739 175.800 -0.003 0.000 1.124 98 F CA -0.475 57.638 58.000 0.188 0.000 1.149 98 F CB 0.377 39.458 39.000 0.135 0.000 1.160 98 F HN 0.503 nan 8.300 nan 0.000 0.501 99 Y N 7.925 127.872 120.300 -0.588 0.000 2.613 99 Y HA 0.124 4.674 4.550 -0.000 0.000 0.354 99 Y C 0.975 176.385 175.900 -0.817 0.000 1.063 99 Y CA -0.436 57.350 58.100 -0.524 0.000 1.384 99 Y CB 0.526 38.780 38.460 -0.344 0.000 1.199 99 Y HN 0.711 nan 8.280 nan 0.000 0.517 100 L N 2.892 123.812 121.223 -0.505 0.000 1.990 100 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 100 L C 2.335 179.110 176.870 -0.158 0.000 1.072 100 L CA 2.024 56.717 54.840 -0.246 0.000 0.755 100 L CB -0.493 41.582 42.059 0.027 0.000 0.889 100 L HN 0.689 nan 8.230 nan 0.000 0.432 101 E N -0.943 119.175 120.200 -0.136 0.000 2.233 101 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 101 E C 1.347 177.981 176.600 0.055 0.000 1.004 101 E CA 2.386 58.732 56.400 -0.089 0.000 0.819 101 E CB -0.883 28.700 29.700 -0.194 0.000 0.738 101 E HN 0.831 nan 8.360 nan 0.000 0.478 102 H N -0.447 118.574 119.070 -0.082 0.000 3.058 102 H HA 0.384 4.940 4.556 -0.000 0.000 0.266 102 H C 0.421 175.658 175.328 -0.151 0.000 1.135 102 H CA -0.112 55.876 56.048 -0.100 0.000 1.174 102 H CB 0.760 30.456 29.762 -0.110 0.000 1.581 102 H HN -0.111 nan 8.280 nan 0.000 0.553 103 L N 2.258 123.394 121.223 -0.145 0.000 3.976 103 L HA -0.230 4.110 4.340 -0.000 0.000 0.418 103 L C -0.004 176.784 176.870 -0.138 0.000 1.177 103 L CA 0.562 55.281 54.840 -0.202 0.000 0.968 103 L CB -1.558 40.443 42.059 -0.098 0.000 1.933 103 L HN 0.322 nan 8.230 nan 0.000 0.976 104 S N -0.025 115.592 115.700 -0.138 0.000 2.480 104 S HA 0.650 5.120 4.470 -0.000 0.000 0.286 104 S C -0.334 174.300 174.600 0.056 0.000 1.180 104 S CA -0.965 57.220 58.200 -0.026 0.000 1.075 104 S CB 2.697 65.871 63.200 -0.044 0.000 0.996 104 S HN 0.213 nan 8.310 nan 0.000 0.487 105 L N 3.463 124.765 121.223 0.132 0.000 2.276 105 L HA 0.615 4.955 4.340 -0.000 0.000 0.286 105 L C -0.054 176.897 176.870 0.135 0.000 1.024 105 L CA -0.399 54.588 54.840 0.245 0.000 0.826 105 L CB 0.471 42.716 42.059 0.309 0.000 1.211 105 L HN 1.022 nan 8.230 nan 0.000 0.422 106 A N 6.955 129.859 122.820 0.141 0.000 2.309 106 A HA 0.558 4.878 4.320 -0.000 0.000 0.290 106 A C -0.100 177.235 177.584 -0.414 0.000 1.206 106 A CA -0.320 51.630 52.037 -0.145 0.000 0.850 106 A CB -0.018 18.925 19.000 -0.095 0.000 1.118 106 A HN 0.720 nan 8.150 nan 0.000 0.523 107 I N 4.247 124.596 120.570 -0.369 0.000 2.503 107 I HA 0.165 4.335 4.170 -0.000 0.000 0.277 107 I C -1.032 174.898 176.117 -0.312 0.000 1.078 107 I CA -0.502 60.577 61.300 -0.367 0.000 1.184 107 I CB 0.231 38.132 38.000 -0.166 0.000 1.353 107 I HN 0.564 nan 8.210 nan 0.000 0.490 108 Y N 4.061 124.302 120.300 -0.098 0.000 2.544 108 Y HA 0.098 4.648 4.550 -0.000 0.000 0.330 108 Y C 0.885 176.723 175.900 -0.103 0.000 1.136 108 Y CA -0.870 57.180 58.100 -0.083 0.000 1.417 108 Y CB -0.256 38.164 38.460 -0.067 0.000 1.229 108 Y HN 0.478 nan 8.280 nan 0.000 0.532 109 E N 0.808 121.049 120.200 0.068 0.000 3.730 109 E HA -0.175 4.175 4.350 -0.000 0.000 0.210 109 E C -0.242 176.334 176.600 -0.040 0.000 2.009 109 E CA 0.525 56.926 56.400 0.002 0.000 0.925 109 E CB -0.475 29.228 29.700 0.006 0.000 0.994 109 E HN 0.760 nan 8.360 nan 0.000 0.339 110 S N 1.694 117.360 115.700 -0.056 0.000 2.521 110 S HA 0.784 5.253 4.470 -0.000 0.000 0.278 110 S C 0.429 175.001 174.600 -0.047 0.000 1.140 110 S CA 0.143 58.305 58.200 -0.063 0.000 1.028 110 S CB 2.428 65.585 63.200 -0.072 0.000 1.203 110 S HN 0.608 nan 8.310 nan 0.000 0.491 111 T N -1.910 112.621 114.554 -0.038 0.000 2.663 111 T HA 0.324 4.674 4.350 -0.000 0.000 0.305 111 T C -0.074 174.615 174.700 -0.018 0.000 1.660 111 T CA -0.449 61.634 62.100 -0.028 0.000 0.976 111 T CB 0.777 69.637 68.868 -0.012 0.000 1.705 111 T HN 0.577 nan 8.240 nan 0.000 0.494 112 K N 0.797 121.190 120.400 -0.012 0.000 2.281 112 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 112 K C 1.792 178.403 176.600 0.019 0.000 1.046 112 K CA 1.701 57.986 56.287 -0.003 0.000 0.938 112 K CB -0.020 32.482 32.500 0.003 0.000 0.737 112 K HN 0.423 nan 8.250 nan 0.000 0.458 113 K N -0.299 120.121 120.400 0.033 0.000 2.186 113 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 113 K C 0.861 177.517 176.600 0.094 0.000 1.052 113 K CA 1.306 57.629 56.287 0.059 0.000 0.965 113 K CB 0.138 32.673 32.500 0.059 0.000 0.746 113 K HN 0.195 nan 8.250 nan 0.000 0.457 114 D N 1.532 121.993 120.400 0.102 0.000 2.392 114 D HA -0.068 4.572 4.640 -0.000 0.000 0.228 114 D C -0.300 176.132 176.300 0.220 0.000 1.003 114 D CA 0.691 54.809 54.000 0.196 0.000 0.917 114 D CB -0.002 40.888 40.800 0.149 0.000 0.890 114 D HN 0.199 nan 8.370 nan 0.000 0.532 115 E N 0.598 120.861 120.200 0.104 0.000 2.217 115 E HA 0.450 4.800 4.350 -0.000 0.000 0.279 115 E C 0.559 177.218 176.600 0.098 0.000 1.068 115 E CA -0.286 56.140 56.400 0.044 0.000 0.882 115 E CB 0.987 30.671 29.700 -0.026 0.000 1.039 115 E HN 0.239 nan 8.360 nan 0.000 0.418 116 G N 2.985 111.855 108.800 0.116 0.000 2.325 116 G HA2 0.080 4.040 3.960 -0.000 0.000 0.295 116 G HA3 0.080 4.040 3.960 -0.000 0.000 0.295 116 G C -1.778 173.275 174.900 0.256 0.000 1.274 116 G CA -0.947 44.279 45.100 0.211 0.000 0.857 116 G HN 0.361 nan 8.290 nan 0.000 0.499 117 W N 0.621 122.034 121.300 0.187 0.000 2.361 117 W HA 0.590 5.250 4.660 0.000 0.000 0.309 117 W C -1.143 175.155 176.519 -0.368 0.000 1.122 117 W CA -0.304 57.022 57.345 -0.033 0.000 1.208 117 W CB 1.411 30.775 29.460 -0.160 0.000 1.246 117 W HN 0.298 nan 8.180 nan 0.000 0.490 118 Y N 2.672 122.787 120.300 -0.308 0.000 2.360 118 Y HA 0.403 4.953 4.550 -0.000 0.000 0.337 118 Y C -0.360 175.267 175.900 -0.456 0.000 1.039 118 Y CA -0.924 57.017 58.100 -0.265 0.000 1.109 118 Y CB 1.002 39.431 38.460 -0.050 0.000 1.201 118 Y HN 0.096 nan 8.280 nan 0.000 0.458 119 F N 3.119 123.231 119.950 0.271 0.000 2.551 119 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 119 F C -0.176 175.758 175.800 0.224 0.000 1.089 119 F CA -1.067 57.085 58.000 0.254 0.000 0.915 119 F CB 1.919 41.033 39.000 0.190 0.000 1.186 119 F HN 0.243 nan 8.300 nan 0.000 0.456 120 M N 2.939 122.818 119.600 0.465 0.000 2.022 120 M HA 0.390 4.869 4.480 -0.000 0.000 0.298 120 M C -1.438 175.118 176.300 0.427 0.000 0.909 120 M CA -0.083 55.426 55.300 0.347 0.000 0.914 120 M CB 1.039 33.797 32.600 0.265 0.000 1.486 120 M HN 0.660 nan 8.290 nan 0.000 0.415 121 T N 5.753 120.513 114.554 0.344 0.000 2.806 121 T HA 0.523 4.872 4.350 -0.000 0.000 0.290 121 T C -0.379 174.446 174.700 0.209 0.000 0.966 121 T CA -0.247 62.040 62.100 0.312 0.000 1.060 121 T CB 0.573 69.678 68.868 0.394 0.000 0.927 121 T HN 0.604 nan 8.240 nan 0.000 0.485 122 L N 4.660 126.001 121.223 0.196 0.000 2.366 122 L HA 0.388 4.728 4.340 -0.000 0.000 0.266 122 L C 0.318 177.227 176.870 0.065 0.000 1.010 122 L CA -0.756 54.169 54.840 0.141 0.000 0.879 122 L CB 0.885 43.069 42.059 0.209 0.000 1.228 122 L HN 0.690 nan 8.230 nan 0.000 0.439 123 E N 3.232 123.443 120.200 0.020 0.000 2.216 123 E HA 0.500 4.850 4.350 -0.000 0.000 0.279 123 E C -0.880 175.699 176.600 -0.034 0.000 0.997 123 E CA -0.988 55.378 56.400 -0.058 0.000 0.817 123 E CB 1.813 31.408 29.700 -0.175 0.000 1.096 123 E HN 0.486 nan 8.360 nan 0.000 0.393 124 K N 1.772 122.144 120.400 -0.047 0.000 2.354 124 K HA 0.242 4.562 4.320 -0.000 0.000 0.238 124 K C 0.572 177.141 176.600 -0.052 0.000 1.068 124 K CA -0.436 55.833 56.287 -0.030 0.000 0.925 124 K CB 0.611 33.103 32.500 -0.013 0.000 1.286 124 K HN 0.425 nan 8.250 nan 0.000 0.500 125 N N 0.775 119.457 118.700 -0.031 0.000 2.150 125 N HA -0.330 4.410 4.740 -0.000 0.000 0.196 125 N C 1.433 176.934 175.510 -0.016 0.000 0.982 125 N CA 2.826 55.861 53.050 -0.025 0.000 0.896 125 N CB -0.881 37.603 38.487 -0.005 0.000 1.077 125 N HN 0.764 nan 8.380 nan 0.000 0.621 126 I N -5.841 114.733 120.570 0.007 0.000 4.147 126 I HA 0.451 4.621 4.170 -0.000 0.000 0.329 126 I C -0.429 175.724 176.117 0.061 0.000 1.424 126 I CA -0.550 60.784 61.300 0.056 0.000 1.127 126 I CB 0.545 38.571 38.000 0.043 0.000 1.128 126 I HN -0.014 nan 8.210 nan 0.000 0.417 127 S N 0.416 116.120 115.700 0.007 0.000 2.726 127 S HA 0.832 5.302 4.470 -0.000 0.000 0.308 127 S C -0.537 174.049 174.600 -0.023 0.000 1.115 127 S CA -0.547 57.654 58.200 0.003 0.000 0.965 127 S CB 2.828 66.004 63.200 -0.040 0.000 1.145 127 S HN 0.076 nan 8.310 nan 0.000 0.532 128 V N 1.491 121.384 119.914 -0.035 0.000 2.737 128 V HA 0.344 4.464 4.120 -0.000 0.000 0.298 128 V C -1.101 174.951 176.094 -0.071 0.000 1.163 128 V CA -0.566 61.691 62.300 -0.071 0.000 0.925 128 V CB 1.855 33.604 31.823 -0.123 0.000 1.037 128 V HN 0.825 nan 8.190 nan 0.000 0.433 129 Q N 3.851 123.633 119.800 -0.030 0.000 2.368 129 Q HA 0.502 4.842 4.340 -0.000 0.000 0.256 129 Q C -0.278 175.680 176.000 -0.070 0.000 0.980 129 Q CA -0.533 55.214 55.803 -0.093 0.000 0.887 129 Q CB 1.231 29.954 28.738 -0.025 0.000 1.221 129 Q HN 0.652 nan 8.270 nan 0.000 0.458 130 R N 3.575 123.984 120.500 -0.151 0.000 2.229 130 R HA 0.349 4.689 4.340 -0.000 0.000 0.328 130 R C -1.298 174.935 176.300 -0.112 0.000 1.009 130 R CA -0.183 55.924 56.100 0.011 0.000 0.864 130 R CB 0.543 30.875 30.300 0.054 0.000 1.085 130 R HN 0.375 nan 8.270 nan 0.000 0.453 131 F N 2.858 122.931 119.950 0.205 0.000 2.425 131 F HA 0.482 5.009 4.527 -0.000 0.000 0.331 131 F C 0.285 176.252 175.800 0.278 0.000 1.085 131 F CA -0.550 57.569 58.000 0.198 0.000 1.028 131 F CB 1.600 40.690 39.000 0.150 0.000 1.177 131 F HN 0.404 nan 8.300 nan 0.000 0.487 132 c N 4.031 122.875 118.600 0.407 0.000 2.712 132 c HA 0.890 5.460 4.570 -0.000 0.000 0.308 132 c C -1.137 173.102 174.090 0.249 0.000 1.201 132 c CA -0.847 55.674 56.329 0.321 0.000 1.554 132 c CB 0.878 43.611 42.510 0.373 0.000 2.117 132 c HN 0.822 nan 8.230 nan 0.000 0.480 133 L N 3.573 124.898 121.223 0.171 0.000 2.565 133 L HA 0.321 4.661 4.340 -0.000 0.000 0.261 133 L C -1.412 175.509 176.870 0.085 0.000 0.932 133 L CA -0.320 54.598 54.840 0.131 0.000 0.878 133 L CB 1.852 43.958 42.059 0.079 0.000 1.333 133 L HN 0.802 nan 8.230 nan 0.000 0.409 134 H N 4.355 123.333 119.070 -0.153 0.000 2.486 134 H HA 0.368 4.924 4.556 -0.000 0.000 0.239 134 H C -0.779 174.338 175.328 -0.352 0.000 1.480 134 H CA -0.583 55.155 56.048 -0.517 0.000 1.324 134 H CB 0.528 29.812 29.762 -0.796 0.000 1.486 134 H HN 0.386 nan 8.280 nan 0.000 0.544 135 L N 2.899 123.922 121.223 -0.333 0.000 2.525 135 L HA 0.195 4.535 4.340 -0.000 0.000 0.278 135 L C -0.154 176.453 176.870 -0.438 0.000 1.218 135 L CA 0.694 55.334 54.840 -0.334 0.000 0.878 135 L CB 0.100 41.988 42.059 -0.286 0.000 1.127 135 L HN 0.691 nan 8.230 nan 0.000 0.492 136 K N 4.755 124.960 120.400 -0.326 0.000 2.482 136 K HA 0.723 5.043 4.320 -0.000 0.000 0.257 136 K C -1.923 174.586 176.600 -0.151 0.000 0.969 136 K CA -0.792 55.337 56.287 -0.264 0.000 0.842 136 K CB 1.346 33.689 32.500 -0.261 0.000 1.359 136 K HN 0.664 nan 8.250 nan 0.000 0.441 137 L N 3.064 124.214 121.223 -0.123 0.000 2.388 137 L HA 0.566 4.905 4.340 -0.000 0.000 0.264 137 L C -0.934 175.883 176.870 -0.087 0.000 0.998 137 L CA -1.063 53.672 54.840 -0.175 0.000 0.817 137 L CB 1.701 43.640 42.059 -0.200 0.000 1.338 137 L HN 0.710 nan 8.230 nan 0.000 0.414 138 Y N -1.328 118.942 120.300 -0.051 0.000 2.675 138 Y HA 0.744 5.294 4.550 -0.000 0.000 0.328 138 Y C 0.259 176.142 175.900 -0.028 0.000 1.092 138 Y CA -1.412 56.665 58.100 -0.038 0.000 1.190 138 Y CB 0.356 38.794 38.460 -0.037 0.000 1.350 138 Y HN 0.539 nan 8.280 nan 0.000 0.525 192 T N -2.035 112.363 114.554 -0.261 0.000 2.876 192 T HA 0.692 5.042 4.350 -0.000 0.000 0.289 192 T C -0.480 174.064 174.700 -0.261 0.000 1.014 192 T CA -0.532 61.440 62.100 -0.213 0.000 0.986 192 T CB 1.810 70.548 68.868 -0.216 0.000 1.021 192 T HN 0.814 nan 8.240 nan 0.000 0.458 193 T N 0.667 115.070 114.554 -0.252 0.000 2.881 193 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 193 T C -1.064 173.461 174.700 -0.292 0.000 0.990 193 T CA -0.807 61.155 62.100 -0.231 0.000 0.976 193 T CB 0.286 69.052 68.868 -0.169 0.000 0.970 193 T HN 0.474 nan 8.240 nan 0.000 0.438 194 I N 4.100 124.491 120.570 -0.297 0.000 2.310 194 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 194 I C 0.840 176.777 176.117 -0.299 0.000 1.073 194 I CA -0.347 60.715 61.300 -0.397 0.000 1.216 194 I CB 0.629 38.360 38.000 -0.449 0.000 1.415 194 I HN 0.537 nan 8.210 nan 0.000 0.480 195 R N 3.404 123.708 120.500 -0.326 0.000 2.340 195 R HA 0.593 4.933 4.340 -0.000 0.000 0.300 195 R C 0.331 176.339 176.300 -0.485 0.000 1.069 195 R CA -0.291 55.633 56.100 -0.293 0.000 0.984 195 R CB 0.926 31.085 30.300 -0.235 0.000 1.003 195 R HN 0.785 nan 8.270 nan 0.000 0.459 196 G N 1.731 110.233 108.800 -0.496 0.000 2.389 196 G HA2 0.223 4.183 3.960 -0.000 0.000 0.328 196 G HA3 0.223 4.183 3.960 -0.000 0.000 0.328 196 G C -1.274 173.149 174.900 -0.795 0.000 1.133 196 G CA -0.304 44.302 45.100 -0.825 0.000 0.891 196 G HN 0.491 nan 8.290 nan 0.000 0.485 197 Q N 1.431 120.649 119.800 -0.971 0.000 2.290 197 Q HA 0.441 4.781 4.340 -0.000 0.000 0.269 197 Q C -1.521 174.008 176.000 -0.786 0.000 1.016 197 Q CA -0.572 54.806 55.803 -0.709 0.000 0.754 197 Q CB 1.336 29.832 28.738 -0.403 0.000 1.247 197 Q HN 0.366 nan 8.270 nan 0.000 0.451 198 F N 0.986 120.849 119.950 -0.145 0.000 2.403 198 F HA 0.650 5.177 4.527 -0.000 0.000 0.326 198 F C 0.484 176.321 175.800 0.062 0.000 1.081 198 F CA -0.630 57.334 58.000 -0.060 0.000 1.041 198 F CB 2.140 41.084 39.000 -0.094 0.000 1.234 198 F HN 0.415 nan 8.300 nan 0.000 0.503 199 S N 0.686 116.570 115.700 0.308 0.000 2.590 199 S HA 0.244 4.714 4.470 -0.000 0.000 0.286 199 S C -0.984 173.699 174.600 0.139 0.000 1.147 199 S CA -0.915 57.404 58.200 0.198 0.000 0.963 199 S CB 0.259 63.578 63.200 0.199 0.000 1.124 199 S HN 0.818 nan 8.310 nan 0.000 0.458 200 N N 4.312 123.056 118.700 0.073 0.000 2.458 200 N HA 0.269 5.009 4.740 -0.000 0.000 0.274 200 N C -0.045 175.448 175.510 -0.028 0.000 1.242 200 N CA -0.608 52.450 53.050 0.012 0.000 0.904 200 N CB 0.269 38.758 38.487 0.004 0.000 1.206 200 N HN 0.396 nan 8.380 nan 0.000 0.510 201 M N 1.068 120.648 119.600 -0.033 0.000 2.233 201 M HA 0.177 4.657 4.480 -0.000 0.000 0.350 201 M C -0.024 176.232 176.300 -0.074 0.000 1.176 201 M CA 0.300 55.570 55.300 -0.050 0.000 1.150 201 M CB 1.446 34.015 32.600 -0.051 0.000 1.530 201 M HN 0.193 nan 8.290 nan 0.000 0.459 202 S N 1.856 117.518 115.700 -0.063 0.000 2.688 202 S HA 0.726 5.196 4.470 -0.000 0.000 0.275 202 S C -0.733 173.852 174.600 -0.024 0.000 1.175 202 S CA -0.718 57.448 58.200 -0.056 0.000 0.818 202 S CB 1.302 64.450 63.200 -0.087 0.000 1.157 202 S HN 0.779 nan 8.310 nan 0.000 0.482 203 L N 1.629 122.866 121.223 0.022 0.000 3.631 203 L HA 0.321 4.661 4.340 -0.000 0.000 0.346 203 L C -0.174 176.762 176.870 0.110 0.000 1.329 203 L CA -0.062 54.825 54.840 0.078 0.000 1.018 203 L CB 0.959 43.102 42.059 0.139 0.000 1.412 203 L HN 0.517 nan 8.230 nan 0.000 0.618 204 S N -0.150 115.577 115.700 0.045 0.000 2.472 204 S HA 0.347 4.817 4.470 -0.000 0.000 0.303 204 S C 0.647 175.210 174.600 -0.062 0.000 1.099 204 S CA -0.558 57.679 58.200 0.061 0.000 1.077 204 S CB 2.079 65.338 63.200 0.098 0.000 1.031 204 S HN 0.220 nan 8.310 nan 0.000 0.487 205 L N 5.586 126.743 121.223 -0.111 0.000 2.042 205 L HA 0.027 4.367 4.340 -0.000 0.000 0.210 205 L C 1.973 178.714 176.870 -0.215 0.000 1.076 205 L CA 1.744 56.427 54.840 -0.261 0.000 0.749 205 L CB -0.936 40.925 42.059 -0.330 0.000 0.893 205 L HN 0.907 nan 8.230 nan 0.000 0.432 206 L N -0.638 120.559 121.223 -0.044 0.000 1.970 206 L HA -0.292 4.048 4.340 -0.000 0.000 0.212 206 L C 2.051 178.873 176.870 -0.080 0.000 1.071 206 L CA 2.226 57.013 54.840 -0.089 0.000 0.751 206 L CB -0.524 41.265 42.059 -0.449 0.000 0.889 206 L HN 0.325 nan 8.230 nan 0.000 0.432 207 D N -0.354 119.985 120.400 -0.102 0.000 2.265 207 D HA -0.234 4.406 4.640 -0.000 0.000 0.208 207 D C 1.870 178.108 176.300 -0.103 0.000 0.977 207 D CA 0.877 54.825 54.000 -0.086 0.000 0.871 207 D CB -0.079 40.653 40.800 -0.113 0.000 0.925 207 D HN 0.198 nan 8.370 nan 0.000 0.485 208 L N -0.695 120.427 121.223 -0.169 0.000 2.056 208 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 208 L C 1.721 178.437 176.870 -0.257 0.000 1.078 208 L CA 1.568 56.265 54.840 -0.239 0.000 0.749 208 L CB -0.425 41.421 42.059 -0.356 0.000 0.901 208 L HN 0.143 nan 8.230 nan 0.000 0.433 209 Y N -0.859 119.310 120.300 -0.219 0.000 2.092 209 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 209 Y C 2.416 178.222 175.900 -0.156 0.000 1.126 209 Y CA 1.444 59.344 58.100 -0.333 0.000 1.111 209 Y CB -0.373 37.989 38.460 -0.163 0.000 0.987 209 Y HN 0.049 nan 8.280 nan 0.000 0.489 210 L N -0.269 121.026 121.223 0.119 0.000 2.034 210 L HA -0.336 4.003 4.340 -0.000 0.000 0.217 210 L C 2.661 179.552 176.870 0.035 0.000 1.077 210 L CA 1.552 56.436 54.840 0.075 0.000 0.769 210 L CB -1.460 40.621 42.059 0.036 0.000 0.890 210 L HN 0.426 nan 8.230 nan 0.000 0.435 211 G N 0.062 108.855 108.800 -0.013 0.000 2.586 211 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 211 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 211 G C 1.301 176.213 174.900 0.020 0.000 1.216 211 G CA 0.465 45.550 45.100 -0.024 0.000 0.786 211 G HN 0.246 nan 8.290 nan 0.000 0.583 212 R N 1.496 122.015 120.500 0.031 0.000 2.526 212 R HA 0.080 4.420 4.340 -0.000 0.000 0.223 212 R C 1.580 178.037 176.300 0.262 0.000 1.250 212 R CA 0.286 56.461 56.100 0.125 0.000 1.227 212 R CB -1.256 29.116 30.300 0.120 0.000 1.109 212 R HN 0.467 nan 8.270 nan 0.000 0.499 213 G N 1.511 110.418 108.800 0.177 0.000 2.450 213 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.302 213 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.302 213 G C -0.199 174.867 174.900 0.275 0.000 0.957 213 G CA 0.346 45.556 45.100 0.183 0.000 1.005 213 G HN 0.300 nan 8.290 nan 0.000 0.514 214 Y N -0.262 120.085 120.300 0.078 0.000 2.357 214 Y HA 0.202 4.752 4.550 -0.000 0.000 0.340 214 Y C 1.243 177.161 175.900 0.029 0.000 1.260 214 Y CA -1.007 57.126 58.100 0.054 0.000 1.425 214 Y CB 0.426 38.919 38.460 0.055 0.000 1.326 214 Y HN 0.261 nan 8.280 nan 0.000 0.580 215 N N 0.833 119.600 118.700 0.111 0.000 2.400 215 N HA 0.271 5.011 4.740 -0.000 0.000 0.267 215 N C -1.420 174.131 175.510 0.067 0.000 1.208 215 N CA -0.003 53.088 53.050 0.068 0.000 0.951 215 N CB 0.293 38.792 38.487 0.019 0.000 1.227 215 N HN 0.177 nan 8.380 nan 0.000 0.488 216 V N 1.883 121.847 119.914 0.084 0.000 2.407 216 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 216 V C -0.136 175.992 176.094 0.057 0.000 1.018 216 V CA -0.608 61.741 62.300 0.082 0.000 0.842 216 V CB 1.141 33.036 31.823 0.121 0.000 0.996 216 V HN 0.743 nan 8.190 nan 0.000 0.426 217 S N 2.463 118.182 115.700 0.031 0.000 2.671 217 S HA 0.736 5.206 4.470 -0.000 0.000 0.299 217 S C 0.043 174.647 174.600 0.007 0.000 1.116 217 S CA -0.153 58.049 58.200 0.004 0.000 0.912 217 S CB 1.949 65.124 63.200 -0.043 0.000 1.130 217 S HN 1.048 nan 8.310 nan 0.000 0.501 218 S N -0.235 115.464 115.700 -0.002 0.000 3.812 218 S HA -0.126 4.344 4.470 -0.000 0.000 0.341 218 S C -0.171 174.439 174.600 0.017 0.000 1.057 218 S CA 0.354 58.556 58.200 0.003 0.000 1.015 218 S CB -2.083 61.110 63.200 -0.012 0.000 0.893 218 S HN 0.725 nan 8.310 nan 0.000 0.476 219 I N 1.290 121.857 120.570 -0.004 0.000 2.556 219 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 219 I C 0.511 176.619 176.117 -0.014 0.000 1.114 219 I CA 0.356 61.606 61.300 -0.085 0.000 1.418 219 I CB 0.753 38.575 38.000 -0.296 0.000 1.394 219 I HN 0.117 nan 8.210 nan 0.000 0.552 220 V N 5.505 125.422 119.914 0.004 0.000 2.568 220 V HA 0.490 4.610 4.120 -0.000 0.000 0.276 220 V C -0.211 175.946 176.094 0.105 0.000 1.002 220 V CA -0.475 61.873 62.300 0.080 0.000 0.879 220 V CB 1.292 33.177 31.823 0.104 0.000 1.040 220 V HN 0.918 nan 8.190 nan 0.000 0.457 221 T N 2.341 116.976 114.554 0.134 0.000 2.896 221 T HA 0.957 5.307 4.350 -0.000 0.000 0.297 221 T C -0.682 174.177 174.700 0.265 0.000 1.108 221 T CA -0.762 61.453 62.100 0.192 0.000 1.004 221 T CB 2.667 71.639 68.868 0.173 0.000 1.159 221 T HN 0.719 nan 8.240 nan 0.000 0.499 222 M N -0.178 119.589 119.600 0.277 0.000 2.880 222 M HA 0.755 5.235 4.480 -0.000 0.000 0.269 222 M C -0.781 175.682 176.300 0.271 0.000 1.248 222 M CA -0.976 54.494 55.300 0.284 0.000 0.821 222 M CB 1.678 34.415 32.600 0.228 0.000 1.650 222 M HN 0.838 nan 8.290 nan 0.000 0.479 223 T N -1.399 113.302 114.554 0.245 0.000 2.910 223 T HA 0.844 5.194 4.350 -0.000 0.000 0.287 223 T C -0.785 173.984 174.700 0.115 0.000 1.050 223 T CA -0.460 61.730 62.100 0.149 0.000 1.011 223 T CB 1.931 70.868 68.868 0.115 0.000 1.195 223 T HN 1.110 nan 8.240 nan 0.000 0.540 224 S N 0.664 116.391 115.700 0.045 0.000 2.605 224 S HA 0.247 4.717 4.470 -0.000 0.000 0.324 224 S C -0.656 173.945 174.600 0.003 0.000 0.978 224 S CA -0.345 57.881 58.200 0.043 0.000 0.864 224 S CB 0.487 63.704 63.200 0.029 0.000 1.095 224 S HN 0.899 nan 8.310 nan 0.000 0.460 225 Q N 1.986 121.800 119.800 0.024 0.000 2.422 225 Q HA -0.267 4.073 4.340 -0.000 0.000 0.245 225 Q C 1.047 177.039 176.000 -0.013 0.000 0.922 225 Q CA 2.201 58.012 55.803 0.014 0.000 1.192 225 Q CB -1.791 26.951 28.738 0.007 0.000 1.641 225 Q HN 2.003 nan 8.270 nan 0.000 0.552 226 G N -0.843 107.928 108.800 -0.047 0.000 2.307 226 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.210 226 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.210 226 G C 0.228 175.012 174.900 -0.194 0.000 1.005 226 G CA 0.223 45.261 45.100 -0.105 0.000 0.634 226 G HN 0.412 nan 8.290 nan 0.000 0.496 227 M N 0.164 119.669 119.600 -0.159 0.000 2.472 227 M HA 0.847 5.327 4.480 -0.000 0.000 0.331 227 M C -0.007 176.230 176.300 -0.106 0.000 1.170 227 M CA -1.409 53.784 55.300 -0.178 0.000 1.009 227 M CB 1.456 33.921 32.600 -0.224 0.000 1.672 227 M HN 0.540 nan 8.290 nan 0.000 0.453 228 Y N -0.305 119.829 120.300 -0.276 0.000 2.631 228 Y HA 1.050 5.600 4.550 -0.000 0.000 0.328 228 Y C -0.415 175.455 175.900 -0.049 0.000 1.118 228 Y CA -1.066 56.958 58.100 -0.126 0.000 1.206 228 Y CB 1.207 39.638 38.460 -0.049 0.000 1.337 228 Y HN 1.036 nan 8.280 nan 0.000 0.515 229 G N -1.251 107.478 108.800 -0.118 0.000 2.547 229 G HA2 0.608 4.568 3.960 -0.000 0.000 0.291 229 G HA3 0.608 4.568 3.960 -0.000 0.000 0.291 229 G C -1.083 173.856 174.900 0.066 0.000 1.471 229 G CA -0.227 44.762 45.100 -0.184 0.000 0.798 229 G HN 1.610 nan 8.290 nan 0.000 0.504 230 G N -1.799 107.065 108.800 0.106 0.000 2.320 230 G HA2 0.734 4.694 3.960 -0.000 0.000 0.296 230 G HA3 0.734 4.694 3.960 -0.000 0.000 0.296 230 G C -1.264 173.778 174.900 0.236 0.000 1.306 230 G CA 0.664 45.869 45.100 0.174 0.000 0.836 230 G HN 1.505 nan 8.290 nan 0.000 0.517 231 T N -0.968 113.718 114.554 0.219 0.000 2.900 231 T HA 0.820 5.170 4.350 -0.000 0.000 0.303 231 T C -1.523 173.311 174.700 0.223 0.000 1.142 231 T CA -0.268 61.910 62.100 0.129 0.000 1.007 231 T CB 1.467 70.350 68.868 0.025 0.000 1.156 231 T HN 1.792 nan 8.240 nan 0.000 0.490 232 Y N 0.766 120.946 120.300 -0.200 0.000 2.779 232 Y HA 0.745 5.295 4.550 -0.000 0.000 0.340 232 Y C -2.305 173.496 175.900 -0.165 0.000 1.252 232 Y CA -1.717 56.284 58.100 -0.165 0.000 1.072 232 Y CB 0.536 38.895 38.460 -0.168 0.000 1.343 232 Y HN 0.616 nan 8.280 nan 0.000 0.450 233 L N 1.919 123.087 121.223 -0.093 0.000 2.342 233 L HA 0.941 5.281 4.340 -0.000 0.000 0.271 233 L C -1.074 175.732 176.870 -0.108 0.000 1.008 233 L CA -1.385 53.357 54.840 -0.163 0.000 0.818 233 L CB 2.109 44.107 42.059 -0.102 0.000 1.296 233 L HN 0.578 nan 8.230 nan 0.000 0.427 234 V N 0.773 120.601 119.914 -0.142 0.000 2.891 234 V HA 0.262 4.382 4.120 -0.000 0.000 0.304 234 V C -0.842 175.216 176.094 -0.061 0.000 1.171 234 V CA -0.879 61.344 62.300 -0.128 0.000 0.943 234 V CB 2.190 33.801 31.823 -0.353 0.000 1.037 234 V HN 0.703 nan 8.190 nan 0.000 0.427 235 E N 2.608 122.787 120.200 -0.035 0.000 2.227 235 E HA 0.518 4.868 4.350 -0.000 0.000 0.282 235 E C -0.921 175.680 176.600 0.002 0.000 1.015 235 E CA -0.585 55.807 56.400 -0.014 0.000 0.823 235 E CB 1.596 31.270 29.700 -0.045 0.000 1.081 235 E HN 0.472 nan 8.360 nan 0.000 0.396 236 K N 3.937 124.385 120.400 0.079 0.000 2.358 236 K HA 0.334 4.654 4.320 -0.000 0.000 0.260 236 K C -2.448 174.183 176.600 0.050 0.000 0.956 236 K CA -1.991 54.356 56.287 0.100 0.000 0.834 236 K CB 1.541 34.142 32.500 0.167 0.000 1.102 236 K HN 0.258 nan 8.250 nan 0.000 0.431 249 L N 1.241 122.451 121.223 -0.022 0.000 2.472 249 L HA 0.662 5.002 4.340 -0.000 0.000 0.260 249 L C -0.849 176.011 176.870 -0.017 0.000 0.963 249 L CA -0.781 54.046 54.840 -0.022 0.000 0.829 249 L CB 2.384 44.415 42.059 -0.047 0.000 1.348 249 L HN 0.555 nan 8.230 nan 0.000 0.408 250 S N 2.262 117.967 115.700 0.008 0.000 2.532 250 S HA 0.687 5.157 4.470 -0.000 0.000 0.301 250 S C -0.385 174.175 174.600 -0.066 0.000 1.083 250 S CA -0.701 57.473 58.200 -0.043 0.000 1.025 250 S CB 1.268 64.443 63.200 -0.041 0.000 1.056 250 S HN 0.447 nan 8.310 nan 0.000 0.494 251 M N 3.584 123.075 119.600 -0.181 0.000 2.233 251 M HA 0.339 4.819 4.480 -0.000 0.000 0.350 251 M C -1.494 174.592 176.300 -0.356 0.000 1.176 251 M CA 0.300 55.490 55.300 -0.184 0.000 1.150 251 M CB 0.166 32.666 32.600 -0.165 0.000 1.530 251 M HN 0.712 nan 8.290 nan 0.000 0.459 252 Y N 1.132 121.356 120.300 -0.127 0.000 2.362 252 Y HA 0.366 4.916 4.550 -0.000 0.000 0.326 252 Y C -0.012 175.741 175.900 -0.244 0.000 1.083 252 Y CA -0.786 57.225 58.100 -0.148 0.000 1.073 252 Y CB 1.499 39.888 38.460 -0.119 0.000 1.211 252 Y HN 0.585 nan 8.280 nan 0.000 0.433 253 R N 2.858 123.292 120.500 -0.111 0.000 2.357 253 R HA 0.803 5.143 4.340 -0.000 0.000 0.296 253 R C -1.654 174.366 176.300 -0.466 0.000 1.052 253 R CA -0.365 55.536 56.100 -0.331 0.000 0.988 253 R CB 0.782 30.889 30.300 -0.321 0.000 1.025 253 R HN 0.482 nan 8.270 nan 0.000 0.469 254 V N 4.859 124.323 119.914 -0.750 0.000 2.769 254 V HA 0.513 4.633 4.120 -0.000 0.000 0.312 254 V C -0.946 174.714 176.094 -0.724 0.000 1.061 254 V CA -0.733 61.180 62.300 -0.645 0.000 0.931 254 V CB 1.842 33.272 31.823 -0.655 0.000 1.010 254 V HN 0.646 nan 8.190 nan 0.000 0.433 255 F N 1.896 121.857 119.950 0.018 0.000 2.445 255 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 255 F C 0.125 176.006 175.800 0.136 0.000 1.125 255 F CA -0.329 57.706 58.000 0.059 0.000 0.983 255 F CB 1.614 40.608 39.000 -0.010 0.000 1.198 255 F HN 0.529 nan 8.300 nan 0.000 0.436 256 E N 3.806 124.177 120.200 0.285 0.000 2.235 256 E HA 0.506 4.856 4.350 -0.000 0.000 0.252 256 E C -1.878 174.648 176.600 -0.123 0.000 0.886 256 E CA -0.602 55.899 56.400 0.169 0.000 0.767 256 E CB 2.052 31.907 29.700 0.258 0.000 1.205 256 E HN 0.490 nan 8.360 nan 0.000 0.421 257 V N 3.902 123.693 119.914 -0.205 0.000 2.547 257 V HA 0.939 5.059 4.120 -0.000 0.000 0.299 257 V C -0.003 175.738 176.094 -0.587 0.000 1.040 257 V CA 0.429 62.471 62.300 -0.430 0.000 0.913 257 V CB 1.388 33.055 31.823 -0.259 0.000 0.992 257 V HN 0.797 nan 8.190 nan 0.000 0.449 258 G N 4.112 112.413 108.800 -0.832 0.000 2.896 258 G HA2 0.624 4.584 3.960 -0.000 0.000 0.247 258 G HA3 0.624 4.584 3.960 -0.000 0.000 0.247 258 G C -1.589 173.143 174.900 -0.279 0.000 1.187 258 G CA -0.107 44.708 45.100 -0.475 0.000 0.837 258 G HN 1.018 nan 8.290 nan 0.000 0.559 259 V N 0.797 120.682 119.914 -0.048 0.000 2.655 259 V HA 0.326 4.446 4.120 -0.000 0.000 0.301 259 V C -0.636 175.341 176.094 -0.195 0.000 1.082 259 V CA -0.367 61.855 62.300 -0.130 0.000 0.899 259 V CB 1.663 33.418 31.823 -0.113 0.000 1.014 259 V HN 0.614 nan 8.190 nan 0.000 0.429 260 I N 5.131 125.437 120.570 -0.439 0.000 2.406 260 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 260 I C 0.605 176.561 176.117 -0.267 0.000 1.101 260 I CA 0.373 61.276 61.300 -0.662 0.000 1.334 260 I CB 0.124 37.527 38.000 -0.995 0.000 1.421 260 I HN 0.528 nan 8.210 nan 0.000 0.513 261 R N 4.577 124.985 120.500 -0.152 0.000 2.828 261 R HA 0.389 4.729 4.340 -0.000 0.000 0.264 261 R C -0.405 175.913 176.300 0.030 0.000 1.022 261 R CA -0.874 55.225 56.100 -0.002 0.000 1.021 261 R CB 1.397 31.721 30.300 0.039 0.000 1.163 261 R HN 0.509 nan 8.270 nan 0.000 0.494 262 N N 2.644 121.443 118.700 0.165 0.000 2.800 262 N HA 0.239 4.979 4.740 -0.000 0.000 0.240 262 N C -2.160 173.436 175.510 0.144 0.000 1.096 262 N CA -1.590 51.623 53.050 0.273 0.000 0.877 262 N CB 1.147 39.955 38.487 0.535 0.000 1.138 262 N HN 0.389 nan 8.380 nan 0.000 0.509 263 P HA 0.262 nan 4.420 nan 0.000 0.236 263 P C 0.087 177.411 177.300 0.041 0.000 1.709 263 P CA -0.216 62.903 63.100 0.032 0.000 0.942 263 P CB -0.439 31.252 31.700 -0.015 0.000 1.615 264 G N 0.903 109.750 108.800 0.079 0.000 2.374 264 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.289 264 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.289 264 G C 0.164 175.101 174.900 0.061 0.000 1.004 264 G CA -0.056 45.086 45.100 0.071 0.000 1.292 264 G HN 0.468 nan 8.290 nan 0.000 0.502 265 L N -0.459 120.814 121.223 0.083 0.000 3.521 265 L HA 0.406 4.745 4.340 -0.000 0.000 0.323 265 L C 1.823 178.746 176.870 0.087 0.000 1.268 265 L CA 0.078 54.951 54.840 0.054 0.000 1.064 265 L CB 0.383 42.449 42.059 0.012 0.000 1.455 265 L HN 1.198 nan 8.230 nan 0.000 0.622 266 G N 0.959 109.855 108.800 0.160 0.000 2.179 266 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.257 266 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.257 266 G C 0.142 175.213 174.900 0.285 0.000 1.010 266 G CA 0.559 45.794 45.100 0.226 0.000 0.736 266 G HN 0.721 nan 8.290 nan 0.000 0.513 267 A N -1.114 121.780 122.820 0.124 0.000 2.564 267 A HA 0.901 5.221 4.320 -0.000 0.000 0.291 267 A C -3.100 173.718 177.584 -1.277 0.000 1.102 267 A CA -0.590 51.150 52.037 -0.495 0.000 0.660 267 A CB 1.539 20.372 19.000 -0.278 0.000 1.283 267 A HN 0.353 nan 8.150 nan 0.000 0.430 268 P HA 0.478 nan 4.420 nan 0.000 0.292 268 P C -0.958 175.971 177.300 -0.618 0.000 1.287 268 P CA -0.144 61.985 63.100 -1.619 0.000 0.800 268 P CB 1.438 32.077 31.700 -1.769 0.000 0.945 269 V N 5.237 124.932 119.914 -0.364 0.000 2.328 269 V HA 0.228 4.348 4.120 -0.000 0.000 0.278 269 V C 0.101 176.178 176.094 -0.028 0.000 1.021 269 V CA -0.494 61.727 62.300 -0.132 0.000 0.838 269 V CB 0.239 31.997 31.823 -0.109 0.000 0.999 269 V HN 0.353 nan 8.190 nan 0.000 0.447 270 F N 4.277 124.056 119.950 -0.285 0.000 2.466 270 F HA 0.261 4.788 4.527 -0.000 0.000 0.363 270 F C 0.775 176.531 175.800 -0.073 0.000 1.109 270 F CA -0.062 57.739 58.000 -0.330 0.000 1.161 270 F CB -0.111 38.507 39.000 -0.637 0.000 1.117 270 F HN 0.501 nan 8.300 nan 0.000 0.539 271 H N 5.852 124.934 119.070 0.021 0.000 2.556 271 H HA 0.312 4.868 4.556 -0.000 0.000 0.310 271 H C -0.337 175.100 175.328 0.181 0.000 1.057 271 H CA -0.914 55.182 56.048 0.080 0.000 1.264 271 H CB 0.954 30.738 29.762 0.037 0.000 1.404 271 H HN 0.646 nan 8.280 nan 0.000 0.462 272 M N 5.085 124.692 119.600 0.011 0.000 2.200 272 M HA 0.066 4.546 4.480 -0.000 0.000 0.355 272 M C -0.004 176.070 176.300 -0.377 0.000 1.283 272 M CA 0.326 55.573 55.300 -0.089 0.000 1.124 272 M CB 0.751 33.346 32.600 -0.008 0.000 1.625 272 M HN 0.715 nan 8.290 nan 0.000 0.463 273 T N 0.351 114.722 114.554 -0.305 0.000 3.004 273 T HA 0.350 4.700 4.350 -0.000 0.000 0.266 273 T C -0.093 174.569 174.700 -0.063 0.000 0.986 273 T CA -0.463 61.504 62.100 -0.223 0.000 0.902 273 T CB -0.038 68.700 68.868 -0.217 0.000 1.118 273 T HN 0.676 nan 8.240 nan 0.000 0.522 274 N N 0.605 119.276 118.700 -0.048 0.000 2.710 274 N HA 0.464 5.204 4.740 -0.000 0.000 0.257 274 N C -1.888 173.712 175.510 0.150 0.000 1.140 274 N CA -0.746 52.333 53.050 0.049 0.000 0.953 274 N CB 2.056 40.530 38.487 -0.022 0.000 1.664 274 N HN 0.344 nan 8.380 nan 0.000 0.497 275 Y N 1.519 121.810 120.300 -0.014 0.000 2.764 275 Y HA 0.854 5.404 4.550 -0.000 0.000 0.331 275 Y C -2.286 173.650 175.900 0.060 0.000 1.280 275 Y CA -1.141 56.978 58.100 0.032 0.000 1.065 275 Y CB 0.823 39.309 38.460 0.043 0.000 1.319 275 Y HN 0.366 nan 8.280 nan 0.000 0.453 276 L N 2.400 123.488 121.223 -0.226 0.000 2.795 276 L HA 0.400 4.740 4.340 -0.000 0.000 0.260 276 L C -1.627 175.191 176.870 -0.087 0.000 0.935 276 L CA -0.556 54.104 54.840 -0.300 0.000 0.985 276 L CB 1.828 43.859 42.059 -0.046 0.000 1.433 276 L HN 0.925 nan 8.230 nan 0.000 0.447 277 E N 4.043 124.130 120.200 -0.188 0.000 2.256 277 E HA 0.745 5.095 4.350 -0.000 0.000 0.267 277 E C -1.518 175.110 176.600 0.047 0.000 0.892 277 E CA -0.807 55.570 56.400 -0.037 0.000 0.775 277 E CB 2.372 32.067 29.700 -0.009 0.000 1.207 277 E HN 0.592 nan 8.360 nan 0.000 0.420 278 Q N 1.181 121.055 119.800 0.124 0.000 2.484 278 Q HA 0.642 4.982 4.340 -0.000 0.000 0.285 278 Q C -2.794 173.350 176.000 0.240 0.000 1.097 278 Q CA -2.477 53.429 55.803 0.172 0.000 0.802 278 Q CB 2.521 31.331 28.738 0.119 0.000 1.444 278 Q HN 0.346 nan 8.270 nan 0.000 0.429 279 P HA 0.315 nan 4.420 nan 0.000 0.278 279 P C -0.863 176.285 177.300 -0.254 0.000 1.258 279 P CA -0.426 62.449 63.100 -0.376 0.000 0.811 279 P CB 1.509 33.006 31.700 -0.337 0.000 1.063 280 V N 0.491 120.197 119.914 -0.347 0.000 3.049 280 V HA 0.221 4.340 4.120 -0.000 0.000 0.309 280 V C 1.098 177.078 176.094 -0.188 0.000 1.148 280 V CA -0.298 61.883 62.300 -0.198 0.000 0.990 280 V CB 1.776 33.503 31.823 -0.160 0.000 1.039 280 V HN 0.509 nan 8.190 nan 0.000 0.430 281 S N 1.615 117.240 115.700 -0.125 0.000 2.470 281 S HA 0.115 4.585 4.470 -0.000 0.000 0.222 281 S C 0.403 174.948 174.600 -0.090 0.000 1.024 281 S CA 0.569 58.706 58.200 -0.106 0.000 0.931 281 S CB -0.069 63.082 63.200 -0.081 0.000 0.791 281 S HN 0.986 nan 8.310 nan 0.000 0.513 282 N N 0.377 119.027 118.700 -0.084 0.000 2.774 282 N HA 0.261 5.001 4.740 -0.000 0.000 0.264 282 N C -1.540 173.928 175.510 -0.070 0.000 1.415 282 N CA -0.786 52.223 53.050 -0.069 0.000 0.815 282 N CB 0.485 38.941 38.487 -0.052 0.000 1.514 282 N HN -0.117 nan 8.380 nan 0.000 0.523 283 D N -0.170 120.194 120.400 -0.060 0.000 2.587 283 D HA 0.110 4.750 4.640 -0.000 0.000 0.233 283 D C 0.350 176.624 176.300 -0.044 0.000 1.213 283 D CA -0.139 53.826 54.000 -0.059 0.000 0.827 283 D CB -0.266 40.496 40.800 -0.064 0.000 1.006 283 D HN 0.535 nan 8.370 nan 0.000 0.490 284 L N -0.303 120.899 121.223 -0.035 0.000 2.554 284 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 284 L C 0.807 177.673 176.870 -0.007 0.000 1.104 284 L CA -0.131 54.699 54.840 -0.016 0.000 0.866 284 L CB -0.078 41.974 42.059 -0.012 0.000 1.047 284 L HN -0.141 nan 8.230 nan 0.000 0.468 285 S N 1.326 117.013 115.700 -0.022 0.000 2.559 285 S HA 0.077 4.547 4.470 -0.000 0.000 0.282 285 S C 0.167 174.770 174.600 0.005 0.000 1.336 285 S CA 0.126 58.317 58.200 -0.015 0.000 1.037 285 S CB 0.229 63.407 63.200 -0.036 0.000 0.853 285 S HN 0.286 nan 8.310 nan 0.000 0.523 286 N N 0.715 119.430 118.700 0.025 0.000 2.519 286 N HA 0.344 5.084 4.740 -0.000 0.000 0.291 286 N C -1.549 174.002 175.510 0.068 0.000 1.107 286 N CA -0.320 52.762 53.050 0.053 0.000 0.904 286 N CB 1.600 40.135 38.487 0.079 0.000 1.500 286 N HN 0.480 nan 8.380 nan 0.000 0.510 287 c N 1.944 120.592 118.600 0.080 0.000 2.561 287 c HA 0.611 5.181 4.570 -0.000 0.000 0.319 287 c C 0.309 174.453 174.090 0.089 0.000 1.198 287 c CA -0.724 55.663 56.329 0.096 0.000 1.665 287 c CB 1.037 43.656 42.510 0.182 0.000 2.258 287 c HN 0.588 nan 8.230 nan 0.000 0.493 288 M N 2.146 121.729 119.600 -0.028 0.000 2.268 288 M HA 0.571 5.051 4.480 -0.000 0.000 0.344 288 M C -0.709 175.733 176.300 0.236 0.000 1.106 288 M CA -0.256 55.017 55.300 -0.045 0.000 1.010 288 M CB 1.454 33.518 32.600 -0.892 0.000 1.649 288 M HN 0.391 nan 8.290 nan 0.000 0.443 289 V N 2.070 122.266 119.914 0.470 0.000 2.667 289 V HA 0.950 5.070 4.120 -0.000 0.000 0.308 289 V C -0.353 176.018 176.094 0.462 0.000 1.048 289 V CA -0.724 61.841 62.300 0.442 0.000 0.928 289 V CB 1.684 33.675 31.823 0.280 0.000 1.004 289 V HN 0.949 nan 8.190 nan 0.000 0.444 290 A N 4.086 127.073 122.820 0.280 0.000 2.517 290 A HA 0.895 5.215 4.320 -0.000 0.000 0.297 290 A C -1.731 175.831 177.584 -0.037 0.000 1.050 290 A CA -0.375 51.649 52.037 -0.021 0.000 0.694 290 A CB 1.474 20.249 19.000 -0.375 0.000 1.277 290 A HN 0.610 nan 8.150 nan 0.000 0.400 291 L N 0.916 122.091 121.223 -0.080 0.000 2.354 291 L HA 0.974 5.314 4.340 -0.000 0.000 0.264 291 L C 0.522 177.338 176.870 -0.091 0.000 1.008 291 L CA 0.641 55.440 54.840 -0.069 0.000 0.819 291 L CB 2.306 44.342 42.059 -0.038 0.000 1.339 291 L HN 1.583 nan 8.230 nan 0.000 0.420 292 G N 0.132 108.882 108.800 -0.082 0.000 2.352 292 G HA2 0.308 4.268 3.960 -0.000 0.000 0.305 292 G HA3 0.308 4.268 3.960 -0.000 0.000 0.305 292 G C -0.929 173.933 174.900 -0.064 0.000 1.537 292 G CA -0.776 44.281 45.100 -0.072 0.000 0.959 292 G HN 0.548 nan 8.290 nan 0.000 0.668 293 E N -0.208 119.966 120.200 -0.044 0.000 2.238 293 E HA -0.204 4.146 4.350 -0.000 0.000 0.219 293 E C 0.939 177.517 176.600 -0.036 0.000 1.275 293 E CA 0.847 57.230 56.400 -0.029 0.000 0.714 293 E CB -1.118 28.566 29.700 -0.026 0.000 1.154 293 E HN 1.244 nan 8.360 nan 0.000 0.363 294 L N -2.423 118.766 121.223 -0.057 0.000 3.634 294 L HA -0.330 4.010 4.340 -0.000 0.000 0.423 294 L C 0.416 177.214 176.870 -0.120 0.000 1.253 294 L CA 1.560 56.341 54.840 -0.099 0.000 0.885 294 L CB -1.555 40.479 42.059 -0.043 0.000 1.789 294 L HN 0.455 nan 8.230 nan 0.000 0.904 295 K N -0.437 119.895 120.400 -0.114 0.000 2.556 295 K HA 0.851 5.171 4.320 -0.000 0.000 0.289 295 K C -1.220 175.322 176.600 -0.097 0.000 1.040 295 K CA -1.230 54.993 56.287 -0.106 0.000 0.894 295 K CB 2.220 34.676 32.500 -0.072 0.000 1.547 295 K HN -0.048 nan 8.250 nan 0.000 0.417 296 L N 0.464 121.640 121.223 -0.079 0.000 2.406 296 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 296 L C -1.334 175.528 176.870 -0.013 0.000 0.982 296 L CA -0.203 54.611 54.840 -0.043 0.000 0.843 296 L CB 1.489 43.521 42.059 -0.045 0.000 1.225 296 L HN 0.867 nan 8.230 nan 0.000 0.412 297 A N 4.077 126.921 122.820 0.041 0.000 2.304 297 A HA 0.980 5.300 4.320 -0.000 0.000 0.301 297 A C -0.336 177.386 177.584 0.230 0.000 1.132 297 A CA 0.112 52.215 52.037 0.110 0.000 0.819 297 A CB 1.022 20.116 19.000 0.156 0.000 1.094 297 A HN 1.466 nan 8.150 nan 0.000 0.492 298 A N 1.118 124.007 122.820 0.115 0.000 2.520 298 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 298 A C -1.656 175.862 177.584 -0.109 0.000 1.051 298 A CA -0.330 51.735 52.037 0.047 0.000 0.690 298 A CB 1.143 20.109 19.000 -0.056 0.000 1.281 298 A HN 0.908 nan 8.150 nan 0.000 0.402 299 L N 1.255 122.353 121.223 -0.208 0.000 2.385 299 L HA 0.749 5.089 4.340 -0.000 0.000 0.273 299 L C -0.768 176.094 176.870 -0.013 0.000 0.990 299 L CA 0.040 54.779 54.840 -0.168 0.000 0.821 299 L CB 1.667 43.475 42.059 -0.418 0.000 1.279 299 L HN 0.864 nan 8.230 nan 0.000 0.412 300 c N 2.362 120.985 118.600 0.039 0.000 2.802 300 c HA 0.702 5.272 4.570 -0.000 0.000 0.307 300 c C -0.809 173.203 174.090 -0.130 0.000 1.222 300 c CA -0.826 55.508 56.329 0.008 0.000 1.580 300 c CB 1.959 44.486 42.510 0.028 0.000 2.119 300 c HN 0.748 nan 8.230 nan 0.000 0.479 301 H N -0.413 118.512 119.070 -0.242 0.000 2.930 301 H HA 0.321 4.877 4.556 0.000 0.000 0.371 301 H C 0.792 176.018 175.328 -0.169 0.000 1.169 301 H CA 0.436 56.266 56.048 -0.363 0.000 1.157 301 H CB 2.164 31.487 29.762 -0.733 0.000 1.789 301 H HN 0.799 nan 8.280 nan 0.000 0.547 302 G N 2.369 110.965 108.800 -0.340 0.000 2.442 302 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 302 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 302 G C 0.606 175.533 174.900 0.045 0.000 1.141 302 G CA 0.992 46.030 45.100 -0.104 0.000 0.763 302 G HN 0.533 nan 8.290 nan 0.000 0.554 303 E N -0.310 120.019 120.200 0.216 0.000 2.396 303 E HA 0.348 4.698 4.350 -0.000 0.000 0.251 303 E C -0.062 176.578 176.600 0.065 0.000 0.949 303 E CA -0.577 55.887 56.400 0.106 0.000 0.834 303 E CB 1.201 30.941 29.700 0.067 0.000 1.309 303 E HN 0.064 nan 8.360 nan 0.000 0.405 304 D N -0.645 119.779 120.400 0.041 0.000 2.440 304 D HA 0.090 4.730 4.640 -0.000 0.000 0.216 304 D C -0.714 175.618 176.300 0.052 0.000 1.150 304 D CA -0.104 53.934 54.000 0.063 0.000 0.832 304 D CB -0.100 40.768 40.800 0.113 0.000 0.992 304 D HN 0.161 nan 8.370 nan 0.000 0.502 305 S N 0.213 115.876 115.700 -0.061 0.000 2.356 305 S HA 0.418 4.888 4.470 -0.000 0.000 0.171 305 S C -0.567 173.852 174.600 -0.302 0.000 1.399 305 S CA -0.825 57.261 58.200 -0.191 0.000 1.225 305 S CB -0.299 62.881 63.200 -0.034 0.000 1.271 305 S HN -0.041 nan 8.310 nan 0.000 0.427 306 I N 2.467 122.810 120.570 -0.379 0.000 2.474 306 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 306 I C 0.846 176.788 176.117 -0.291 0.000 1.048 306 I CA 0.447 61.520 61.300 -0.377 0.000 1.383 306 I CB 1.000 38.721 38.000 -0.466 0.000 1.412 306 I HN 0.459 nan 8.210 nan 0.000 0.531 307 T N 6.156 120.580 114.554 -0.216 0.000 2.929 307 T HA 0.640 4.990 4.350 -0.000 0.000 0.284 307 T C -0.276 174.332 174.700 -0.154 0.000 1.014 307 T CA -0.288 61.699 62.100 -0.189 0.000 1.051 307 T CB 1.069 69.842 68.868 -0.159 0.000 1.028 307 T HN 0.108 nan 8.240 nan 0.000 0.485 308 I N 4.468 124.940 120.570 -0.162 0.000 2.404 308 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 308 I C -1.015 174.959 176.117 -0.238 0.000 0.992 308 I CA -2.139 59.069 61.300 -0.153 0.000 1.149 308 I CB 1.515 39.440 38.000 -0.125 0.000 1.315 308 I HN 0.487 nan 8.210 nan 0.000 0.446 309 P HA -0.005 nan 4.420 nan 0.000 0.197 309 P C -0.506 176.313 177.300 -0.802 0.000 1.043 309 P CA 1.305 64.057 63.100 -0.580 0.000 0.815 309 P CB 0.234 31.726 31.700 -0.347 0.000 0.666 314 G N 2.659 111.488 108.800 0.048 0.000 3.274 314 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.313 314 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.313 314 G C -0.272 174.646 174.900 0.031 0.000 1.295 314 G CA 0.851 45.970 45.100 0.032 0.000 1.004 314 G HN 0.999 nan 8.290 nan 0.000 0.614 315 K N 1.949 122.367 120.400 0.029 0.000 2.443 315 K HA 0.697 5.017 4.320 -0.000 0.000 0.252 315 K C 0.594 177.206 176.600 0.021 0.000 0.933 315 K CA 0.253 56.554 56.287 0.022 0.000 0.792 315 K CB 1.489 33.994 32.500 0.008 0.000 1.185 315 K HN 1.092 nan 8.250 nan 0.000 0.425 316 G N 1.555 110.369 108.800 0.023 0.000 3.022 316 G HA2 0.291 4.251 3.960 -0.000 0.000 0.157 316 G HA3 0.291 4.251 3.960 -0.000 0.000 0.157 316 G C -0.716 174.196 174.900 0.020 0.000 1.691 316 G CA -0.174 44.931 45.100 0.010 0.000 1.079 316 G HN 0.482 nan 8.290 nan 0.000 0.549 317 V N -0.249 119.693 119.914 0.047 0.000 2.815 317 V HA 0.721 4.841 4.120 -0.000 0.000 0.314 317 V C -0.328 175.881 176.094 0.191 0.000 1.064 317 V CA -0.003 62.358 62.300 0.102 0.000 0.952 317 V CB 2.056 33.941 31.823 0.104 0.000 1.020 317 V HN 1.146 nan 8.190 nan 0.000 0.439 318 S N 4.748 120.598 115.700 0.250 0.000 2.599 318 S HA 0.811 5.281 4.470 -0.000 0.000 0.287 318 S C -1.203 173.693 174.600 0.494 0.000 1.105 318 S CA -0.586 57.828 58.200 0.357 0.000 0.899 318 S CB 1.800 65.164 63.200 0.273 0.000 1.100 318 S HN 0.494 nan 8.310 nan 0.000 0.482 319 F N 0.904 120.969 119.950 0.191 0.000 2.523 319 F HA 0.514 5.041 4.527 -0.000 0.000 0.329 319 F C 0.496 176.287 175.800 -0.014 0.000 1.061 319 F CA -0.847 57.232 58.000 0.133 0.000 0.967 319 F CB 1.840 40.851 39.000 0.017 0.000 1.218 319 F HN 0.646 nan 8.300 nan 0.000 0.480 320 Q N 3.046 122.757 119.800 -0.148 0.000 2.377 320 Q HA 0.317 4.657 4.340 -0.000 0.000 0.249 320 Q C -1.432 174.315 176.000 -0.421 0.000 1.005 320 Q CA -0.757 54.593 55.803 -0.756 0.000 0.912 320 Q CB 1.058 29.152 28.738 -1.074 0.000 1.223 320 Q HN 0.643 nan 8.270 nan 0.000 0.459 321 L N 4.967 125.958 121.223 -0.387 0.000 2.312 321 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 321 L C -1.324 175.336 176.870 -0.350 0.000 1.070 321 L CA -0.221 54.458 54.840 -0.269 0.000 0.805 321 L CB 1.610 43.576 42.059 -0.156 0.000 1.174 321 L HN 0.342 nan 8.230 nan 0.000 0.434 322 V N 5.089 124.790 119.914 -0.355 0.000 2.577 322 V HA 0.488 4.608 4.120 -0.000 0.000 0.303 322 V C -0.539 175.385 176.094 -0.282 0.000 1.042 322 V CA -0.820 61.216 62.300 -0.439 0.000 0.872 322 V CB 1.598 32.899 31.823 -0.870 0.000 0.998 322 V HN 0.776 nan 8.190 nan 0.000 0.423 323 K N 5.400 125.674 120.400 -0.211 0.000 2.413 323 K HA 0.777 5.097 4.320 -0.000 0.000 0.257 323 K C -1.784 174.742 176.600 -0.124 0.000 0.946 323 K CA -0.558 55.651 56.287 -0.131 0.000 0.823 323 K CB 1.345 33.791 32.500 -0.090 0.000 1.109 323 K HN 0.673 nan 8.250 nan 0.000 0.427 324 L N 3.821 124.981 121.223 -0.105 0.000 2.441 324 L HA 0.453 4.793 4.340 -0.000 0.000 0.270 324 L C 0.317 177.135 176.870 -0.088 0.000 0.973 324 L CA -1.082 53.705 54.840 -0.089 0.000 0.842 324 L CB 2.042 44.052 42.059 -0.082 0.000 1.239 324 L HN 0.851 nan 8.230 nan 0.000 0.406 325 G N 0.876 109.631 108.800 -0.074 0.000 2.572 325 G HA2 0.315 4.275 3.960 -0.000 0.000 0.261 325 G HA3 0.315 4.275 3.960 -0.000 0.000 0.261 325 G C 0.931 175.728 174.900 -0.171 0.000 1.197 325 G CA -0.180 44.863 45.100 -0.095 0.000 0.870 325 G HN 0.430 nan 8.290 nan 0.000 0.548 326 V N 0.456 120.181 119.914 -0.315 0.000 2.287 326 V HA -0.021 4.099 4.120 -0.000 0.000 0.248 326 V C 0.773 176.558 176.094 -0.516 0.000 1.053 326 V CA 0.866 62.836 62.300 -0.550 0.000 1.027 326 V CB -0.494 30.796 31.823 -0.888 0.000 0.646 326 V HN 0.549 nan 8.190 nan 0.000 0.447 327 W N 1.628 122.901 121.300 -0.044 0.000 2.358 327 W HA 0.383 5.043 4.660 -0.000 0.000 0.307 327 W C 0.433 176.935 176.519 -0.028 0.000 1.203 327 W CA -0.779 56.547 57.345 -0.032 0.000 1.279 327 W CB 0.309 29.756 29.460 -0.022 0.000 1.264 327 W HN 0.021 nan 8.180 nan 0.000 0.474 328 K N 3.553 124.072 120.400 0.198 0.000 2.472 328 K HA 0.083 4.403 4.320 -0.000 0.000 0.280 328 K C 0.167 176.828 176.600 0.101 0.000 1.028 328 K CA 0.525 56.874 56.287 0.104 0.000 1.045 328 K CB 0.279 32.829 32.500 0.085 0.000 0.902 328 K HN 0.560 nan 8.250 nan 0.000 0.478 329 S N 3.353 119.090 115.700 0.062 0.000 2.638 329 S HA 0.434 4.904 4.470 -0.000 0.000 0.274 329 S C -2.353 172.260 174.600 0.021 0.000 1.157 329 S CA -1.176 57.052 58.200 0.048 0.000 0.826 329 S CB 1.821 65.056 63.200 0.058 0.000 1.139 329 S HN 0.525 nan 8.310 nan 0.000 0.474 330 P HA 0.008 nan 4.420 nan 0.000 0.239 330 P C 1.261 178.559 177.300 -0.004 0.000 1.184 330 P CA 1.083 64.184 63.100 0.002 0.000 0.760 330 P CB -0.533 31.168 31.700 0.003 0.000 0.884 331 T N -4.021 110.532 114.554 -0.001 0.000 3.067 331 T HA -0.019 4.331 4.350 -0.000 0.000 0.261 331 T C 0.630 175.316 174.700 -0.024 0.000 1.110 331 T CA -0.032 62.063 62.100 -0.009 0.000 1.113 331 T CB -0.615 68.252 68.868 -0.001 0.000 0.917 331 T HN -0.034 nan 8.240 nan 0.000 0.499 332 D N 2.228 122.612 120.400 -0.027 0.000 2.346 332 D HA 0.443 5.083 4.640 -0.000 0.000 0.236 332 D C 0.449 176.712 176.300 -0.063 0.000 1.259 332 D CA 0.401 54.370 54.000 -0.051 0.000 0.898 332 D CB 0.534 41.304 40.800 -0.050 0.000 1.178 332 D HN 0.709 nan 8.370 nan 0.000 0.457 333 M N -1.996 117.548 119.600 -0.093 0.000 3.043 333 M HA 0.294 4.774 4.480 -0.000 0.000 0.264 333 M C -1.863 174.344 176.300 -0.155 0.000 0.969 333 M CA -0.936 54.304 55.300 -0.101 0.000 0.785 333 M CB 1.796 34.350 32.600 -0.078 0.000 1.634 333 M HN 0.130 nan 8.290 nan 0.000 0.560 334 Q N 0.457 120.161 119.800 -0.160 0.000 2.433 334 Q HA 0.907 5.247 4.340 -0.000 0.000 0.279 334 Q C -1.631 174.235 176.000 -0.224 0.000 1.105 334 Q CA -0.778 54.881 55.803 -0.239 0.000 0.815 334 Q CB 2.709 31.308 28.738 -0.231 0.000 1.403 334 Q HN 0.766 nan 8.270 nan 0.000 0.435 335 S N 0.404 115.901 115.700 -0.338 0.000 2.558 335 S HA 0.399 4.869 4.470 -0.000 0.000 0.277 335 S C -2.287 172.072 174.600 -0.401 0.000 1.143 335 S CA -0.620 57.424 58.200 -0.260 0.000 0.865 335 S CB 0.583 63.711 63.200 -0.120 0.000 1.102 335 S HN 0.561 nan 8.310 nan 0.000 0.454 336 W N 3.757 125.047 121.300 -0.016 0.000 2.228 336 W HA 0.493 5.153 4.660 -0.000 0.000 0.364 336 W C -0.332 176.197 176.519 0.016 0.000 0.917 336 W CA -0.579 56.764 57.345 -0.004 0.000 1.513 336 W CB 0.803 30.252 29.460 -0.018 0.000 1.494 336 W HN 0.368 nan 8.180 nan 0.000 0.346 337 V N 5.723 125.726 119.914 0.149 0.000 2.465 337 V HA 0.289 4.409 4.120 -0.000 0.000 0.279 337 V C -1.429 174.757 176.094 0.154 0.000 1.045 337 V CA -2.248 60.121 62.300 0.116 0.000 0.938 337 V CB 0.831 32.681 31.823 0.046 0.000 0.986 337 V HN 0.190 nan 8.190 nan 0.000 0.467 338 P HA 0.145 nan 4.420 nan 0.000 0.275 338 P C -0.690 176.649 177.300 0.064 0.000 1.227 338 P CA -0.463 62.701 63.100 0.107 0.000 0.781 338 P CB 1.351 33.095 31.700 0.074 0.000 0.906 339 L N 3.010 124.274 121.223 0.069 0.000 2.315 339 L HA 0.198 4.538 4.340 -0.000 0.000 0.283 339 L C 0.551 177.415 176.870 -0.010 0.000 1.089 339 L CA 0.064 54.903 54.840 -0.002 0.000 0.833 339 L CB 0.129 42.194 42.059 0.010 0.000 1.170 339 L HN 0.309 nan 8.230 nan 0.000 0.442 340 S N 3.448 119.132 115.700 -0.026 0.000 2.437 340 S HA 0.141 4.611 4.470 -0.000 0.000 0.304 340 S C 0.289 174.873 174.600 -0.027 0.000 1.167 340 S CA -0.340 57.849 58.200 -0.018 0.000 1.106 340 S CB -0.636 62.553 63.200 -0.017 0.000 1.099 340 S HN 0.799 nan 8.310 nan 0.000 0.524 341 T N 2.771 117.315 114.554 -0.017 0.000 2.761 341 T HA 0.143 4.493 4.350 -0.000 0.000 0.287 341 T C 0.530 175.219 174.700 -0.017 0.000 0.931 341 T CA -0.528 61.560 62.100 -0.021 0.000 1.164 341 T CB 0.874 69.740 68.868 -0.003 0.000 0.876 341 T HN 0.631 nan 8.240 nan 0.000 0.534 342 D N 1.681 122.062 120.400 -0.032 0.000 3.012 342 D HA -0.008 4.632 4.640 -0.000 0.000 0.284 342 D C -0.019 176.263 176.300 -0.029 0.000 1.259 342 D CA 0.085 54.067 54.000 -0.029 0.000 1.036 342 D CB 0.432 41.208 40.800 -0.040 0.000 1.167 342 D HN 0.623 nan 8.370 nan 0.000 0.429 343 D N 0.757 121.128 120.400 -0.048 0.000 2.411 343 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 343 D C -1.796 174.485 176.300 -0.031 0.000 1.156 343 D CA -1.835 52.139 54.000 -0.044 0.000 0.874 343 D CB 1.839 42.595 40.800 -0.073 0.000 1.034 343 D HN -0.059 nan 8.370 nan 0.000 0.502 344 P HA -0.175 nan 4.420 nan 0.000 0.221 344 P C 1.302 178.607 177.300 0.007 0.000 1.141 344 P CA 0.452 63.559 63.100 0.012 0.000 0.794 344 P CB 0.428 32.145 31.700 0.028 0.000 0.764 345 V N -1.095 118.817 119.914 -0.002 0.000 3.461 345 V HA 0.015 4.134 4.120 -0.000 0.000 0.267 345 V C 0.904 176.986 176.094 -0.020 0.000 1.186 345 V CA 0.296 62.598 62.300 0.004 0.000 1.154 345 V CB -0.664 31.172 31.823 0.023 0.000 0.802 345 V HN -0.057 nan 8.190 nan 0.000 0.474 346 I N 1.783 122.323 120.570 -0.049 0.000 2.389 346 I HA 0.098 4.268 4.170 -0.000 0.000 0.295 346 I C 1.180 177.250 176.117 -0.079 0.000 1.117 346 I CA 0.043 61.296 61.300 -0.079 0.000 1.317 346 I CB 0.566 38.505 38.000 -0.102 0.000 1.431 346 I HN 0.240 nan 8.210 nan 0.000 0.521 347 D N 5.716 126.071 120.400 -0.075 0.000 1.852 347 D HA -0.008 4.631 4.640 -0.000 0.000 0.277 347 D C 0.774 176.995 176.300 -0.133 0.000 1.056 347 D CA 1.527 55.475 54.000 -0.086 0.000 0.962 347 D CB 0.431 41.195 40.800 -0.060 0.000 1.390 347 D HN 0.385 nan 8.370 nan 0.000 0.518 348 R N -1.057 119.341 120.500 -0.170 0.000 2.923 348 R HA 0.683 5.023 4.340 -0.000 0.000 0.252 348 R C -0.912 175.169 176.300 -0.365 0.000 1.130 348 R CA -0.772 55.156 56.100 -0.287 0.000 1.043 348 R CB 1.461 31.533 30.300 -0.380 0.000 1.205 348 R HN 0.176 nan 8.270 nan 0.000 0.495 349 L N 1.410 122.361 121.223 -0.453 0.000 2.346 349 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 349 L C -1.277 175.254 176.870 -0.565 0.000 1.007 349 L CA -0.792 53.829 54.840 -0.366 0.000 0.818 349 L CB 1.323 43.274 42.059 -0.179 0.000 1.284 349 L HN 0.493 nan 8.230 nan 0.000 0.424 350 Y N 3.309 123.612 120.300 0.006 0.000 2.328 350 Y HA 0.507 5.057 4.550 0.000 0.000 0.333 350 Y C -0.233 175.759 175.900 0.152 0.000 0.958 350 Y CA -0.470 57.686 58.100 0.093 0.000 1.167 350 Y CB 1.508 40.077 38.460 0.180 0.000 1.151 350 Y HN 0.287 nan 8.280 nan 0.000 0.470 351 L N 3.071 124.459 121.223 0.275 0.000 2.317 351 L HA 0.646 4.986 4.340 -0.000 0.000 0.281 351 L C 0.096 177.196 176.870 0.382 0.000 1.024 351 L CA -0.138 54.901 54.840 0.331 0.000 0.810 351 L CB 1.764 43.935 42.059 0.186 0.000 1.240 351 L HN 0.698 nan 8.230 nan 0.000 0.427 352 S N 0.051 116.071 115.700 0.533 0.000 4.057 352 S HA 0.341 4.811 4.470 -0.000 0.000 0.197 352 S C -0.412 174.097 174.600 -0.153 0.000 1.154 352 S CA -0.386 57.854 58.200 0.067 0.000 1.556 352 S CB 1.109 64.266 63.200 -0.072 0.000 1.405 352 S HN 0.645 nan 8.310 nan 0.000 0.786 353 S N 2.123 117.524 115.700 -0.499 0.000 2.478 353 S HA 0.701 5.171 4.470 -0.000 0.000 0.312 353 S C -1.429 172.788 174.600 -0.638 0.000 1.094 353 S CA -0.611 57.389 58.200 -0.333 0.000 1.081 353 S CB 0.594 63.722 63.200 -0.121 0.000 1.007 353 S HN 0.609 nan 8.310 nan 0.000 0.475 354 H N 2.102 121.266 119.070 0.157 0.000 3.018 354 H HA 0.439 4.995 4.556 -0.000 0.000 0.334 354 H C -0.651 174.875 175.328 0.329 0.000 0.983 354 H CA -0.681 55.505 56.048 0.231 0.000 1.363 354 H CB 1.342 31.262 29.762 0.263 0.000 1.668 354 H HN 0.473 nan 8.280 nan 0.000 0.513 355 R N 0.872 121.533 120.500 0.269 0.000 2.528 355 R HA 0.674 5.014 4.340 -0.000 0.000 0.271 355 R C 0.545 176.822 176.300 -0.037 0.000 1.056 355 R CA -0.253 55.925 56.100 0.130 0.000 1.117 355 R CB 1.219 31.474 30.300 -0.076 0.000 1.085 355 R HN 0.840 nan 8.270 nan 0.000 0.530 356 G N -0.929 107.692 108.800 -0.299 0.000 2.649 356 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 356 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 356 G C -1.861 172.670 174.900 -0.615 0.000 1.426 356 G CA -0.411 44.251 45.100 -0.730 0.000 0.794 356 G HN 0.463 nan 8.290 nan 0.000 0.483 357 V N -0.190 119.354 119.914 -0.616 0.000 3.001 357 V HA 0.678 4.798 4.120 -0.000 0.000 0.314 357 V C -0.776 175.096 176.094 -0.370 0.000 1.099 357 V CA -1.079 60.960 62.300 -0.435 0.000 0.989 357 V CB 1.977 33.550 31.823 -0.416 0.000 1.040 357 V HN 0.606 nan 8.190 nan 0.000 0.434 358 I N 4.699 125.121 120.570 -0.246 0.000 2.330 358 I HA 0.553 4.723 4.170 -0.000 0.000 0.286 358 I C 0.213 176.261 176.117 -0.116 0.000 1.025 358 I CA -0.339 60.854 61.300 -0.179 0.000 1.197 358 I CB 1.432 39.352 38.000 -0.132 0.000 1.358 358 I HN 0.660 nan 8.210 nan 0.000 0.467 359 A N 5.216 127.974 122.820 -0.102 0.000 2.644 359 A HA 0.402 4.722 4.320 -0.000 0.000 0.343 359 A C -0.129 177.409 177.584 -0.076 0.000 1.324 359 A CA -0.293 51.709 52.037 -0.058 0.000 0.846 359 A CB 0.037 19.033 19.000 -0.007 0.000 1.128 359 A HN 0.779 nan 8.150 nan 0.000 0.484 360 D N 2.054 122.423 120.400 -0.052 0.000 3.061 360 D HA -0.141 4.499 4.640 -0.000 0.000 0.252 360 D C 0.145 176.413 176.300 -0.053 0.000 1.080 360 D CA 1.090 55.064 54.000 -0.043 0.000 0.871 360 D CB -0.791 39.987 40.800 -0.036 0.000 1.018 360 D HN 0.782 nan 8.370 nan 0.000 0.425 361 N N -0.180 118.491 118.700 -0.049 0.000 2.753 361 N HA -0.261 4.479 4.740 -0.000 0.000 0.251 361 N C -0.036 175.439 175.510 -0.059 0.000 1.097 361 N CA 1.563 54.585 53.050 -0.046 0.000 0.786 361 N CB -0.573 37.895 38.487 -0.032 0.000 1.137 361 N HN 0.739 nan 8.380 nan 0.000 0.566 362 Q N -0.425 119.324 119.800 -0.085 0.000 2.323 362 Q HA 0.697 5.037 4.340 -0.000 0.000 0.271 362 Q C -1.201 174.713 176.000 -0.145 0.000 1.048 362 Q CA -0.487 55.255 55.803 -0.102 0.000 0.792 362 Q CB 1.907 30.566 28.738 -0.131 0.000 1.280 362 Q HN 0.243 nan 8.270 nan 0.000 0.441 363 A N 3.447 126.178 122.820 -0.148 0.000 2.306 363 A HA 0.809 5.129 4.320 -0.000 0.000 0.330 363 A C -0.970 176.427 177.584 -0.312 0.000 1.146 363 A CA -0.526 51.314 52.037 -0.328 0.000 0.827 363 A CB 1.171 19.957 19.000 -0.358 0.000 1.178 363 A HN 0.636 nan 8.150 nan 0.000 0.490 364 K N 0.092 120.178 120.400 -0.522 0.000 2.444 364 K HA 0.548 4.868 4.320 -0.000 0.000 0.252 364 K C -1.707 174.624 176.600 -0.447 0.000 0.993 364 K CA -0.384 55.748 56.287 -0.258 0.000 0.847 364 K CB 2.032 34.474 32.500 -0.098 0.000 1.340 364 K HN 0.788 nan 8.250 nan 0.000 0.446 365 W N -0.494 120.811 121.300 0.009 0.000 3.248 365 W HA 0.460 5.120 4.660 -0.000 0.000 0.311 365 W C -1.404 175.136 176.519 0.035 0.000 1.258 365 W CA -0.676 56.671 57.345 0.004 0.000 1.191 365 W CB 2.115 31.550 29.460 -0.041 0.000 1.389 365 W HN 0.640 nan 8.180 nan 0.000 0.561 366 A N 2.407 125.410 122.820 0.305 0.000 2.319 366 A HA 0.836 5.156 4.320 -0.000 0.000 0.310 366 A C -1.038 176.640 177.584 0.157 0.000 1.152 366 A CA -0.550 51.636 52.037 0.249 0.000 0.783 366 A CB 1.179 20.348 19.000 0.282 0.000 1.184 366 A HN 0.862 nan 8.150 nan 0.000 0.474 367 V N -0.333 119.631 119.914 0.084 0.000 2.924 367 V HA 0.606 4.726 4.120 -0.000 0.000 0.300 367 V C -3.279 172.856 176.094 0.069 0.000 1.227 367 V CA -2.477 59.812 62.300 -0.018 0.000 0.954 367 V CB 1.620 33.272 31.823 -0.285 0.000 1.055 367 V HN 0.560 nan 8.190 nan 0.000 0.429 368 P HA 0.209 nan 4.420 nan 0.000 0.260 368 P C -0.297 177.091 177.300 0.146 0.000 1.172 368 P CA 0.941 64.148 63.100 0.178 0.000 0.760 368 P CB 0.238 32.230 31.700 0.487 0.000 0.773 369 T N 1.822 116.402 114.554 0.044 0.000 2.985 369 T HA 0.317 4.667 4.350 -0.000 0.000 0.315 369 T C -0.053 174.619 174.700 -0.047 0.000 1.001 369 T CA -0.722 61.368 62.100 -0.017 0.000 1.016 369 T CB 0.462 69.293 68.868 -0.062 0.000 0.993 369 T HN 0.321 nan 8.240 nan 0.000 0.454 370 T N 2.299 116.848 114.554 -0.007 0.000 2.860 370 T HA 0.651 5.001 4.350 -0.000 0.000 0.299 370 T C 0.181 174.851 174.700 -0.049 0.000 1.045 370 T CA -0.738 61.353 62.100 -0.015 0.000 1.071 370 T CB 1.025 69.913 68.868 0.033 0.000 0.985 370 T HN 0.523 nan 8.240 nan 0.000 0.537 371 R N -0.129 120.364 120.500 -0.011 0.000 2.888 371 R HA 0.494 4.834 4.340 -0.000 0.000 0.264 371 R C 1.412 177.742 176.300 0.049 0.000 1.045 371 R CA -0.593 55.510 56.100 0.004 0.000 0.962 371 R CB 1.236 31.537 30.300 0.002 0.000 1.210 371 R HN 0.849 nan 8.270 nan 0.000 0.479 372 T N -2.801 111.779 114.554 0.043 0.000 3.055 372 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 372 T C 0.867 175.606 174.700 0.064 0.000 1.111 372 T CA 0.904 63.029 62.100 0.042 0.000 1.118 372 T CB -0.192 68.694 68.868 0.031 0.000 0.909 372 T HN 0.696 nan 8.240 nan 0.000 0.501 373 D N 1.082 121.549 120.400 0.111 0.000 2.460 373 D HA 0.045 4.685 4.640 -0.000 0.000 0.229 373 D C 0.405 176.779 176.300 0.123 0.000 1.170 373 D CA -0.332 53.736 54.000 0.113 0.000 0.827 373 D CB -0.133 40.749 40.800 0.136 0.000 0.973 373 D HN 0.140 nan 8.370 nan 0.000 0.496 374 D N 1.784 122.268 120.400 0.141 0.000 2.240 374 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 374 D C 0.529 176.804 176.300 -0.043 0.000 1.018 374 D CA 1.065 55.128 54.000 0.105 0.000 0.887 374 D CB -0.002 40.828 40.800 0.051 0.000 1.087 374 D HN 0.299 nan 8.370 nan 0.000 0.464 375 K N 0.665 121.044 120.400 -0.034 0.000 2.111 375 K HA 0.265 4.585 4.320 -0.000 0.000 0.249 375 K C 0.434 177.018 176.600 -0.027 0.000 1.157 375 K CA 0.063 56.327 56.287 -0.038 0.000 1.048 375 K CB 0.571 33.059 32.500 -0.020 0.000 1.498 375 K HN 0.198 nan 8.250 nan 0.000 0.344 376 L N 0.167 121.361 121.223 -0.048 0.000 5.787 376 L HA 0.045 4.385 4.340 -0.000 0.000 0.587 376 L C 0.540 177.375 176.870 -0.059 0.000 0.591 376 L CA 0.125 54.945 54.840 -0.033 0.000 2.491 376 L CB 0.377 42.430 42.059 -0.010 0.000 1.936 376 L HN 0.340 nan 8.230 nan 0.000 0.568 377 R N -0.162 120.262 120.500 -0.126 0.000 2.504 377 R HA 0.357 4.697 4.340 -0.000 0.000 0.341 377 R C 0.480 176.576 176.300 -0.339 0.000 0.905 377 R CA 0.242 56.226 56.100 -0.193 0.000 1.133 377 R CB 0.734 30.925 30.300 -0.181 0.000 1.704 377 R HN 0.322 nan 8.270 nan 0.000 0.503 378 M N -0.175 119.250 119.600 -0.292 0.000 2.088 378 M HA 0.046 4.526 4.480 -0.000 0.000 0.410 378 M C 1.094 177.345 176.300 -0.081 0.000 0.861 378 M CA 0.331 55.472 55.300 -0.266 0.000 1.102 378 M CB 0.666 32.991 32.600 -0.458 0.000 2.196 378 M HN 0.027 nan 8.290 nan 0.000 0.741 379 E N 0.966 121.132 120.200 -0.057 0.000 2.065 379 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 379 E C 1.568 178.212 176.600 0.074 0.000 1.016 379 E CA 2.587 58.998 56.400 0.018 0.000 0.818 379 E CB -0.797 28.905 29.700 0.004 0.000 0.749 379 E HN 0.493 nan 8.360 nan 0.000 0.453 380 T N -0.040 114.533 114.554 0.031 0.000 2.588 380 T HA -0.301 4.049 4.350 -0.000 0.000 0.261 380 T C 2.377 177.105 174.700 0.047 0.000 1.069 380 T CA 1.376 63.495 62.100 0.031 0.000 1.172 380 T CB -1.246 67.624 68.868 0.003 0.000 0.863 380 T HN 0.532 nan 8.240 nan 0.000 0.408 381 c N 0.872 119.490 118.600 0.030 0.000 2.393 381 c HA -0.204 4.366 4.570 -0.000 0.000 0.275 381 c C 2.294 176.442 174.090 0.096 0.000 1.170 381 c CA 1.298 57.648 56.329 0.036 0.000 1.827 381 c CB -2.229 40.287 42.510 0.010 0.000 2.131 381 c HN 0.561 nan 8.230 nan 0.000 0.474 382 F N 2.451 122.391 119.950 -0.016 0.000 2.039 382 F HA -0.102 4.425 4.527 -0.000 0.000 0.294 382 F C 2.649 178.451 175.800 0.003 0.000 1.130 382 F CA 2.461 60.465 58.000 0.006 0.000 1.189 382 F CB -1.106 37.899 39.000 0.009 0.000 0.983 382 F HN 0.519 nan 8.300 nan 0.000 0.471 383 Q N -0.149 119.571 119.800 -0.132 0.000 2.124 383 Q HA -0.285 4.055 4.340 -0.000 0.000 0.202 383 Q C 2.193 178.092 176.000 -0.169 0.000 0.977 383 Q CA 1.801 57.460 55.803 -0.240 0.000 0.850 383 Q CB -1.008 27.694 28.738 -0.061 0.000 0.901 383 Q HN 0.671 nan 8.270 nan 0.000 0.429 384 Q N 0.388 120.139 119.800 -0.082 0.000 2.291 384 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 384 Q C 1.750 177.707 176.000 -0.071 0.000 0.976 384 Q CA 1.267 57.035 55.803 -0.057 0.000 0.875 384 Q CB -0.055 28.667 28.738 -0.026 0.000 0.927 384 Q HN 0.559 nan 8.270 nan 0.000 0.450 385 A N -1.097 121.664 122.820 -0.099 0.000 2.095 385 A HA -0.011 4.309 4.320 -0.000 0.000 0.212 385 A C 1.988 179.474 177.584 -0.164 0.000 1.162 385 A CA 0.334 52.319 52.037 -0.086 0.000 0.753 385 A CB -0.255 18.727 19.000 -0.031 0.000 0.840 385 A HN 0.532 nan 8.150 nan 0.000 0.468 386 c N 0.381 118.808 118.600 -0.289 0.000 2.468 386 c HA 0.002 4.572 4.570 -0.000 0.000 0.277 386 c C 2.596 176.568 174.090 -0.196 0.000 1.400 386 c CA 1.044 57.175 56.329 -0.331 0.000 1.770 386 c CB -0.880 41.307 42.510 -0.538 0.000 1.905 386 c HN 0.808 nan 8.230 nan 0.000 0.519 387 K N 1.138 121.453 120.400 -0.142 0.000 2.288 387 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 387 K C 1.334 177.895 176.600 -0.065 0.000 1.048 387 K CA 1.509 57.744 56.287 -0.088 0.000 0.956 387 K CB -0.114 32.349 32.500 -0.062 0.000 0.746 387 K HN 0.447 nan 8.250 nan 0.000 0.461 388 G N 1.360 110.119 108.800 -0.068 0.000 3.137 388 G HA2 0.042 4.002 3.960 -0.000 0.000 0.163 388 G HA3 0.042 4.002 3.960 -0.000 0.000 0.163 388 G C 0.506 175.380 174.900 -0.043 0.000 1.602 388 G CA -0.361 44.718 45.100 -0.035 0.000 1.067 388 G HN -0.066 nan 8.290 nan 0.000 0.568 389 K N 0.558 120.950 120.400 -0.014 0.000 1.991 389 K HA -0.116 4.204 4.320 -0.000 0.000 0.212 389 K C 2.306 178.760 176.600 -0.243 0.000 1.049 389 K CA 1.420 57.706 56.287 -0.002 0.000 0.932 389 K CB -1.029 31.531 32.500 0.099 0.000 0.717 389 K HN 0.628 nan 8.250 nan 0.000 0.441 390 I N 0.271 120.710 120.570 -0.219 0.000 3.493 390 I HA -0.073 4.097 4.170 -0.000 0.000 0.311 390 I C 1.981 177.911 176.117 -0.311 0.000 1.210 390 I CA 0.581 61.693 61.300 -0.313 0.000 1.210 390 I CB -0.303 37.608 38.000 -0.149 0.000 0.993 390 I HN 0.107 nan 8.210 nan 0.000 0.539 391 Q N 2.193 121.822 119.800 -0.285 0.000 2.135 391 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 391 Q C 2.184 178.064 176.000 -0.199 0.000 0.981 391 Q CA 2.214 57.895 55.803 -0.203 0.000 0.856 391 Q CB 0.076 28.737 28.738 -0.128 0.000 0.902 391 Q HN 0.776 nan 8.270 nan 0.000 0.425 392 A N 0.106 122.745 122.820 -0.301 0.000 1.930 392 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 392 A C 1.961 179.444 177.584 -0.168 0.000 1.176 392 A CA 0.629 52.545 52.037 -0.201 0.000 0.632 392 A CB -0.306 18.592 19.000 -0.169 0.000 0.819 392 A HN 0.334 nan 8.150 nan 0.000 0.445 393 L N -0.138 120.935 121.223 -0.250 0.000 2.017 393 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 393 L C 2.723 179.573 176.870 -0.034 0.000 1.073 393 L CA 1.762 56.524 54.840 -0.130 0.000 0.745 393 L CB -1.195 40.785 42.059 -0.132 0.000 0.894 393 L HN 0.509 nan 8.230 nan 0.000 0.432 394 c N -0.878 117.691 118.600 -0.051 0.000 2.413 394 c HA -0.138 4.432 4.570 -0.000 0.000 0.276 394 c C 1.454 175.568 174.090 0.039 0.000 1.248 394 c CA -0.250 56.091 56.329 0.020 0.000 1.742 394 c CB -1.028 41.384 42.510 -0.163 0.000 2.017 394 c HN 0.452 nan 8.230 nan 0.000 0.481 395 E N 2.044 122.235 120.200 -0.015 0.000 2.498 395 E HA -0.001 4.349 4.350 -0.000 0.000 0.252 395 E C 0.278 176.895 176.600 0.028 0.000 1.025 395 E CA 0.484 56.886 56.400 0.004 0.000 0.938 395 E CB -0.605 29.085 29.700 -0.017 0.000 0.947 395 E HN 0.403 nan 8.360 nan 0.000 0.478 396 N N 3.682 122.409 118.700 0.046 0.000 2.641 396 N HA -0.121 4.619 4.740 -0.000 0.000 0.267 396 N C -2.470 173.086 175.510 0.076 0.000 1.087 396 N CA 0.650 53.733 53.050 0.055 0.000 0.731 396 N CB -0.356 38.156 38.487 0.042 0.000 0.886 396 N HN 0.422 nan 8.380 nan 0.000 0.547 397 P HA 0.128 nan 4.420 nan 0.000 0.275 397 P C 0.134 177.540 177.300 0.176 0.000 1.227 397 P CA 0.057 63.252 63.100 0.158 0.000 0.781 397 P CB 1.571 33.378 31.700 0.178 0.000 0.906 398 E N 2.338 122.702 120.200 0.273 0.000 2.431 398 E HA 0.058 4.408 4.350 -0.000 0.000 0.200 398 E C -0.009 176.757 176.600 0.278 0.000 0.995 398 E CA -0.191 56.362 56.400 0.254 0.000 0.915 398 E CB -0.132 29.719 29.700 0.251 0.000 0.930 398 E HN 0.379 nan 8.360 nan 0.000 0.496 399 W N 0.888 122.239 121.300 0.086 0.000 2.150 399 W HA 0.414 5.074 4.660 -0.000 0.000 0.341 399 W C 1.238 177.662 176.519 -0.157 0.000 1.276 399 W CA -0.160 57.060 57.345 -0.208 0.000 1.238 399 W CB 0.516 29.778 29.460 -0.330 0.000 1.128 399 W HN 0.096 nan 8.180 nan 0.000 0.581 400 A N 6.572 129.285 122.820 -0.177 0.000 1.834 400 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 400 A C -0.222 177.059 177.584 -0.504 0.000 1.203 400 A CA 2.299 54.135 52.037 -0.334 0.000 0.621 400 A CB -2.151 16.671 19.000 -0.297 0.000 0.841 400 A HN 0.588 nan 8.150 nan 0.000 0.446 401 P HA -0.171 nan 4.420 nan 0.000 0.217 401 P C 1.436 178.480 177.300 -0.427 0.000 1.148 401 P CA 1.237 63.918 63.100 -0.698 0.000 0.828 401 P CB -0.261 30.808 31.700 -1.051 0.000 0.783 402 L N -0.894 120.103 121.223 -0.378 0.000 2.275 402 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 402 L C 2.584 179.421 176.870 -0.055 0.000 1.119 402 L CA 1.277 56.036 54.840 -0.135 0.000 0.790 402 L CB -0.673 41.427 42.059 0.069 0.000 0.919 402 L HN -0.007 nan 8.230 nan 0.000 0.443 403 K N -0.279 120.080 120.400 -0.069 0.000 2.167 403 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 403 K C 0.689 177.268 176.600 -0.036 0.000 1.052 403 K CA 0.781 57.055 56.287 -0.021 0.000 0.956 403 K CB 0.077 32.569 32.500 -0.014 0.000 0.735 403 K HN 0.190 nan 8.250 nan 0.000 0.451 404 D N 1.024 121.379 120.400 -0.076 0.000 2.370 404 D HA 0.039 4.678 4.640 -0.000 0.000 0.230 404 D C -0.768 175.488 176.300 -0.073 0.000 1.143 404 D CA 0.072 54.035 54.000 -0.062 0.000 0.834 404 D CB -0.449 40.312 40.800 -0.065 0.000 0.944 404 D HN 0.177 nan 8.370 nan 0.000 0.504 405 N N 1.923 120.575 118.700 -0.080 0.000 2.688 405 N HA -0.200 4.540 4.740 -0.000 0.000 0.258 405 N C -0.458 174.952 175.510 -0.167 0.000 1.016 405 N CA 0.280 53.269 53.050 -0.102 0.000 0.747 405 N CB -0.238 38.230 38.487 -0.032 0.000 0.895 405 N HN 0.057 nan 8.380 nan 0.000 0.543 406 R N 0.948 121.317 120.500 -0.218 0.000 2.668 406 R HA 0.455 4.795 4.340 -0.000 0.000 0.279 406 R C 0.391 176.527 176.300 -0.272 0.000 0.976 406 R CA -0.766 55.212 56.100 -0.202 0.000 0.978 406 R CB 0.836 31.028 30.300 -0.180 0.000 1.133 406 R HN 0.145 nan 8.270 nan 0.000 0.484 407 I N 4.188 124.665 120.570 -0.155 0.000 2.448 407 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 407 I C -2.012 174.172 176.117 0.112 0.000 1.135 407 I CA -3.066 58.181 61.300 -0.087 0.000 1.207 407 I CB -0.120 37.861 38.000 -0.031 0.000 1.548 407 I HN 0.133 nan 8.210 nan 0.000 0.543 408 P HA -0.028 nan 4.420 nan 0.000 0.259 408 P C 0.226 177.557 177.300 0.052 0.000 1.163 408 P CA 0.653 63.738 63.100 -0.025 0.000 0.760 408 P CB 0.801 32.425 31.700 -0.127 0.000 0.762 409 S N 3.136 118.793 115.700 -0.072 0.000 2.768 409 S HA 0.528 4.998 4.470 -0.000 0.000 0.300 409 S C -0.782 173.786 174.600 -0.054 0.000 1.122 409 S CA -0.641 57.482 58.200 -0.129 0.000 0.995 409 S CB 0.642 63.402 63.200 -0.733 0.000 1.195 409 S HN 0.281 nan 8.310 nan 0.000 0.547 410 Y N 0.647 120.962 120.300 0.026 0.000 2.434 410 Y HA 0.573 5.123 4.550 -0.000 0.000 0.341 410 Y C 1.009 176.996 175.900 0.145 0.000 0.965 410 Y CA -0.462 57.724 58.100 0.144 0.000 1.205 410 Y CB 0.586 39.180 38.460 0.223 0.000 1.121 410 Y HN 0.930 nan 8.280 nan 0.000 0.507 411 G N 1.770 110.675 108.800 0.174 0.000 2.395 411 G HA2 0.492 4.452 3.960 -0.000 0.000 0.283 411 G HA3 0.492 4.452 3.960 -0.000 0.000 0.283 411 G C -1.160 173.846 174.900 0.178 0.000 1.178 411 G CA -0.535 44.623 45.100 0.097 0.000 0.837 411 G HN 0.412 nan 8.290 nan 0.000 0.518 412 V N 3.720 123.740 119.914 0.177 0.000 2.325 412 V HA 0.248 4.368 4.120 -0.000 0.000 0.280 412 V C 0.140 176.309 176.094 0.125 0.000 1.016 412 V CA -0.486 61.948 62.300 0.224 0.000 0.818 412 V CB 0.836 32.898 31.823 0.397 0.000 1.019 412 V HN 0.579 nan 8.190 nan 0.000 0.434 413 L N 4.007 125.300 121.223 0.117 0.000 2.380 413 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 413 L C 0.379 177.340 176.870 0.151 0.000 1.138 413 L CA 0.549 55.430 54.840 0.068 0.000 0.832 413 L CB 1.024 43.082 42.059 -0.002 0.000 1.124 413 L HN 0.604 nan 8.230 nan 0.000 0.454 414 S N 1.563 117.310 115.700 0.079 0.000 2.546 414 S HA 0.701 5.171 4.470 -0.000 0.000 0.272 414 S C -0.860 173.767 174.600 0.044 0.000 1.140 414 S CA -0.810 57.431 58.200 0.069 0.000 0.920 414 S CB 2.232 65.440 63.200 0.013 0.000 1.083 414 S HN 0.447 nan 8.310 nan 0.000 0.476 415 V N -0.554 119.394 119.914 0.056 0.000 2.623 415 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 415 V C -0.888 175.210 176.094 0.005 0.000 1.054 415 V CA -0.816 61.504 62.300 0.034 0.000 0.882 415 V CB 1.862 33.723 31.823 0.065 0.000 1.002 415 V HN 0.922 nan 8.190 nan 0.000 0.424 416 D N 4.675 125.069 120.400 -0.009 0.000 2.343 416 D HA 0.262 4.902 4.640 -0.000 0.000 0.255 416 D C -0.094 176.198 176.300 -0.014 0.000 1.187 416 D CA -0.171 53.817 54.000 -0.020 0.000 0.875 416 D CB 1.618 42.407 40.800 -0.019 0.000 1.136 416 D HN 0.721 nan 8.370 nan 0.000 0.469 417 L N 3.944 125.156 121.223 -0.019 0.000 2.923 417 L HA 0.113 4.453 4.340 -0.000 0.000 0.231 417 L C 1.346 178.204 176.870 -0.019 0.000 1.300 417 L CA -0.313 54.516 54.840 -0.018 0.000 1.184 417 L CB 0.063 42.110 42.059 -0.020 0.000 1.511 417 L HN 0.351 nan 8.230 nan 0.000 0.448 418 S N -1.177 114.514 115.700 -0.015 0.000 2.666 418 S HA 0.184 4.654 4.470 -0.000 0.000 0.239 418 S C 1.010 175.605 174.600 -0.009 0.000 1.031 418 S CA -0.294 57.899 58.200 -0.012 0.000 1.015 418 S CB 0.150 63.344 63.200 -0.011 0.000 0.981 418 S HN 0.414 nan 8.310 nan 0.000 0.547 419 L N 1.428 122.646 121.223 -0.009 0.000 3.991 419 L HA -0.262 4.078 4.340 -0.000 0.000 0.437 419 L C 1.268 178.136 176.870 -0.003 0.000 1.138 419 L CA 1.023 55.860 54.840 -0.006 0.000 0.964 419 L CB -2.408 39.647 42.059 -0.008 0.000 1.867 419 L HN 0.443 nan 8.230 nan 0.000 1.028 420 T N -1.748 112.804 114.554 -0.002 0.000 2.937 420 T HA 0.134 4.484 4.350 -0.000 0.000 0.260 420 T C 0.678 175.379 174.700 0.002 0.000 1.051 420 T CA 1.177 63.277 62.100 -0.000 0.000 1.141 420 T CB 0.235 69.103 68.868 0.000 0.000 0.879 420 T HN 0.382 nan 8.240 nan 0.000 0.459 421 V N 0.130 120.045 119.914 0.001 0.000 2.925 421 V HA 0.563 4.683 4.120 -0.000 0.000 0.311 421 V C -0.475 175.621 176.094 0.004 0.000 1.104 421 V CA -1.775 60.527 62.300 0.003 0.000 0.954 421 V CB 1.962 33.787 31.823 0.004 0.000 1.022 421 V HN 0.328 nan 8.190 nan 0.000 0.427 422 E N 3.201 123.404 120.200 0.006 0.000 2.812 422 E HA -0.121 4.229 4.350 -0.000 0.000 0.276 422 E C -0.556 176.049 176.600 0.008 0.000 0.946 422 E CA 0.150 56.556 56.400 0.009 0.000 0.971 422 E CB 0.385 30.092 29.700 0.012 0.000 0.960 422 E HN 0.723 nan 8.360 nan 0.000 0.479 423 L N 2.502 123.731 121.223 0.010 0.000 2.418 423 L HA 0.148 4.487 4.340 -0.000 0.000 0.274 423 L C 0.886 177.765 176.870 0.014 0.000 1.135 423 L CA 0.572 55.417 54.840 0.009 0.000 0.870 423 L CB 0.169 42.232 42.059 0.008 0.000 1.154 423 L HN 0.418 nan 8.230 nan 0.000 0.462 424 K N 4.390 124.794 120.400 0.007 0.000 2.501 424 K HA 0.496 4.816 4.320 -0.000 0.000 0.252 424 K C -0.992 175.602 176.600 -0.010 0.000 0.934 424 K CA -0.626 55.663 56.287 0.004 0.000 0.797 424 K CB 2.305 34.807 32.500 0.003 0.000 1.270 424 K HN 0.439 nan 8.250 nan 0.000 0.431 425 I N 4.068 124.621 120.570 -0.027 0.000 2.268 425 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 425 I C 0.014 176.090 176.117 -0.068 0.000 1.125 425 I CA -0.434 60.826 61.300 -0.067 0.000 1.236 425 I CB 0.170 38.074 38.000 -0.161 0.000 1.469 425 I HN 0.272 nan 8.210 nan 0.000 0.512 426 K N 5.838 126.215 120.400 -0.038 0.000 2.382 426 K HA 0.414 4.734 4.320 -0.000 0.000 0.275 426 K C -0.355 176.219 176.600 -0.044 0.000 1.009 426 K CA -0.001 56.267 56.287 -0.033 0.000 0.970 426 K CB 1.703 34.194 32.500 -0.014 0.000 0.934 426 K HN 0.535 nan 8.250 nan 0.000 0.479 427 I N 1.042 121.579 120.570 -0.056 0.000 2.478 427 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 427 I C -1.459 174.607 176.117 -0.086 0.000 1.042 427 I CA -0.429 60.830 61.300 -0.068 0.000 1.067 427 I CB 1.438 39.377 38.000 -0.103 0.000 1.233 427 I HN 0.714 nan 8.210 nan 0.000 0.431 428 A N 4.933 127.698 122.820 -0.093 0.000 2.380 428 A HA 0.866 5.186 4.320 -0.000 0.000 0.315 428 A C -0.978 176.380 177.584 -0.377 0.000 1.101 428 A CA -0.533 51.359 52.037 -0.242 0.000 0.771 428 A CB 1.953 20.812 19.000 -0.234 0.000 1.287 428 A HN 0.667 nan 8.150 nan 0.000 0.436 429 S N -0.430 114.905 115.700 -0.608 0.000 2.541 429 S HA 0.822 5.292 4.470 -0.000 0.000 0.271 429 S C -0.426 173.792 174.600 -0.636 0.000 1.133 429 S CA 0.182 58.072 58.200 -0.518 0.000 0.876 429 S CB 1.678 64.723 63.200 -0.258 0.000 1.105 429 S HN 2.042 nan 8.310 nan 0.000 0.470 430 G N 1.696 110.374 108.800 -0.202 0.000 2.692 430 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 430 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 430 G C -1.756 173.225 174.900 0.135 0.000 1.423 430 G CA -0.654 44.497 45.100 0.085 0.000 0.843 430 G HN 0.547 nan 8.290 nan 0.000 0.486 431 F N -0.013 120.095 119.950 0.264 0.000 2.371 431 F HA 0.679 5.206 4.527 0.000 0.000 0.329 431 F C 1.156 177.091 175.800 0.225 0.000 1.107 431 F CA 1.069 59.228 58.000 0.265 0.000 1.137 431 F CB 2.186 41.292 39.000 0.177 0.000 1.214 431 F HN 0.753 nan 8.300 nan 0.000 0.536 432 G N 1.396 110.496 108.800 0.500 0.000 2.664 432 G HA2 0.471 4.431 3.960 -0.000 0.000 0.303 432 G HA3 0.471 4.431 3.960 -0.000 0.000 0.303 432 G C -3.140 172.007 174.900 0.411 0.000 1.243 432 G CA -1.136 44.118 45.100 0.258 0.000 0.826 432 G HN 0.262 nan 8.290 nan 0.000 0.498 433 P HA 0.205 nan 4.420 nan 0.000 0.264 433 P C 0.059 177.657 177.300 0.498 0.000 1.179 433 P CA -0.013 63.348 63.100 0.434 0.000 0.763 433 P CB 0.351 32.281 31.700 0.383 0.000 0.806 434 L N 3.299 124.753 121.223 0.385 0.000 2.540 434 L HA 0.016 4.356 4.340 -0.000 0.000 0.276 434 L C 0.616 177.693 176.870 0.345 0.000 1.212 434 L CA 0.527 55.583 54.840 0.360 0.000 0.893 434 L CB -0.429 41.830 42.059 0.333 0.000 1.138 434 L HN 0.262 nan 8.230 nan 0.000 0.491 435 I N 2.827 123.582 120.570 0.307 0.000 2.307 435 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 435 I C 1.026 177.361 176.117 0.364 0.000 1.021 435 I CA -0.160 61.307 61.300 0.278 0.000 1.224 435 I CB 1.277 39.390 38.000 0.190 0.000 1.376 435 I HN 0.679 nan 8.210 nan 0.000 0.470 436 T N 0.376 115.113 114.554 0.306 0.000 3.145 436 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 436 T C 0.063 175.007 174.700 0.406 0.000 1.039 436 T CA 0.004 62.314 62.100 0.350 0.000 0.928 436 T CB -0.253 68.752 68.868 0.228 0.000 1.029 436 T HN 0.622 nan 8.240 nan 0.000 0.554 437 H N -0.697 118.306 119.070 -0.112 0.000 3.952 437 H HA 0.370 4.926 4.556 -0.000 0.000 0.494 437 H C -0.038 174.696 175.328 -0.990 0.000 1.826 437 H CA -0.585 55.071 56.048 -0.653 0.000 1.639 437 H CB 0.079 29.658 29.762 -0.304 0.000 2.914 437 H HN 0.252 nan 8.280 nan 0.000 0.375 438 G N 2.092 109.643 108.800 -2.082 0.000 2.985 438 G HA2 0.249 4.209 3.960 -0.000 0.000 0.282 438 G HA3 0.249 4.209 3.960 -0.000 0.000 0.282 438 G C 0.468 175.036 174.900 -0.553 0.000 0.791 438 G CA 0.022 44.505 45.100 -1.029 0.000 1.934 438 G HN 0.496 nan 8.290 nan 0.000 0.563 439 S N 0.234 115.734 115.700 -0.333 0.000 2.527 439 S HA 0.394 4.864 4.470 -0.000 0.000 0.222 439 S C 1.233 175.753 174.600 -0.134 0.000 0.985 439 S CA 0.434 58.518 58.200 -0.194 0.000 0.921 439 S CB 0.344 63.478 63.200 -0.110 0.000 0.772 439 S HN 1.088 nan 8.310 nan 0.000 0.529 440 G N 0.478 109.210 108.800 -0.112 0.000 2.320 440 G HA2 0.469 4.429 3.960 -0.000 0.000 0.297 440 G HA3 0.469 4.429 3.960 -0.000 0.000 0.297 440 G C -1.803 173.127 174.900 0.049 0.000 1.344 440 G CA -0.777 44.244 45.100 -0.132 0.000 0.851 440 G HN 0.130 nan 8.290 nan 0.000 0.567 441 M N 1.384 121.075 119.600 0.151 0.000 2.479 441 M HA 0.267 4.747 4.480 -0.000 0.000 0.192 441 M C -2.337 174.163 176.300 0.334 0.000 0.939 441 M CA -0.585 54.896 55.300 0.302 0.000 0.822 441 M CB 1.109 33.937 32.600 0.379 0.000 2.615 441 M HN 0.581 nan 8.290 nan 0.000 0.412 442 D N 4.518 125.049 120.400 0.218 0.000 2.269 442 D HA 0.648 5.288 4.640 -0.000 0.000 0.244 442 D C -0.847 175.436 176.300 -0.028 0.000 0.992 442 D CA -0.361 53.676 54.000 0.061 0.000 0.894 442 D CB 2.607 43.357 40.800 -0.082 0.000 1.248 442 D HN 0.532 nan 8.370 nan 0.000 0.468 443 L N 1.072 122.157 121.223 -0.229 0.000 2.334 443 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 443 L C -1.193 175.371 176.870 -0.511 0.000 1.013 443 L CA -0.778 53.951 54.840 -0.185 0.000 0.816 443 L CB 1.053 43.032 42.059 -0.133 0.000 1.278 443 L HN 0.303 nan 8.230 nan 0.000 0.431 444 Y N 1.274 121.555 120.300 -0.031 0.000 2.492 444 Y HA 0.329 4.879 4.550 -0.000 0.000 0.346 444 Y C -0.017 175.795 175.900 -0.147 0.000 0.997 444 Y CA -0.884 57.193 58.100 -0.039 0.000 1.025 444 Y CB 2.021 40.580 38.460 0.165 0.000 1.263 444 Y HN 0.417 nan 8.280 nan 0.000 0.454 445 K N 1.005 121.343 120.400 -0.104 0.000 2.286 445 K HA 0.470 4.790 4.320 -0.000 0.000 0.256 445 K C -0.334 176.445 176.600 0.298 0.000 0.999 445 K CA 0.114 56.350 56.287 -0.084 0.000 0.908 445 K CB 0.649 33.141 32.500 -0.013 0.000 0.981 445 K HN 0.655 nan 8.250 nan 0.000 0.500 446 S N 0.319 116.204 115.700 0.309 0.000 2.579 446 S HA 0.252 4.722 4.470 -0.000 0.000 0.272 446 S C 0.160 174.862 174.600 0.171 0.000 1.141 446 S CA -0.958 57.419 58.200 0.295 0.000 0.843 446 S CB 1.035 64.195 63.200 -0.068 0.000 1.122 446 S HN 0.769 nan 8.310 nan 0.000 0.468 447 N N 1.474 120.233 118.700 0.099 0.000 2.364 447 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 447 N C -0.201 175.243 175.510 -0.111 0.000 1.022 447 N CA 0.919 53.945 53.050 -0.040 0.000 0.883 447 N CB -0.335 38.076 38.487 -0.127 0.000 0.965 447 N HN 0.579 nan 8.380 nan 0.000 0.438 448 H N 2.426 121.531 119.070 0.057 0.000 3.008 448 H HA 0.075 4.631 4.556 -0.000 0.000 0.268 448 H C 0.438 175.752 175.328 -0.024 0.000 1.323 448 H CA -0.667 55.379 56.048 -0.004 0.000 1.401 448 H CB -0.282 29.443 29.762 -0.062 0.000 1.556 448 H HN 0.291 nan 8.280 nan 0.000 0.502 449 N N 2.363 121.120 118.700 0.094 0.000 2.305 449 N HA -0.186 4.554 4.740 -0.000 0.000 0.232 449 N C 0.237 175.737 175.510 -0.017 0.000 1.274 449 N CA 0.163 53.256 53.050 0.072 0.000 0.870 449 N CB 0.431 38.960 38.487 0.070 0.000 1.105 449 N HN 0.468 nan 8.380 nan 0.000 0.436 450 N N -2.701 115.980 118.700 -0.031 0.000 2.936 450 N HA -0.153 4.587 4.740 -0.000 0.000 0.236 450 N C -1.447 173.935 175.510 -0.212 0.000 0.930 450 N CA 1.265 54.123 53.050 -0.322 0.000 0.966 450 N CB -1.286 36.943 38.487 -0.430 0.000 1.090 450 N HN 0.508 nan 8.380 nan 0.000 0.592 451 V N 0.092 119.935 119.914 -0.119 0.000 2.733 451 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 451 V C -0.399 175.627 176.094 -0.114 0.000 1.084 451 V CA -0.893 61.299 62.300 -0.180 0.000 0.905 451 V CB 2.172 33.859 31.823 -0.227 0.000 1.010 451 V HN 0.122 nan 8.190 nan 0.000 0.424 452 Y N 0.778 120.927 120.300 -0.252 0.000 2.659 452 Y HA 0.525 5.075 4.550 -0.000 0.000 0.333 452 Y C -0.875 174.778 175.900 -0.411 0.000 1.064 452 Y CA -1.263 56.693 58.100 -0.241 0.000 1.141 452 Y CB 2.727 41.147 38.460 -0.067 0.000 1.316 452 Y HN 0.594 nan 8.280 nan 0.000 0.509 453 W N 3.197 124.631 121.300 0.223 0.000 2.291 453 W HA 0.492 5.152 4.660 -0.000 0.000 0.312 453 W C -0.906 175.732 176.519 0.198 0.000 1.061 453 W CA -0.389 57.047 57.345 0.152 0.000 1.296 453 W CB 0.882 30.434 29.460 0.152 0.000 1.223 453 W HN 0.092 nan 8.180 nan 0.000 0.421 454 L N 5.656 127.085 121.223 0.343 0.000 2.255 454 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 454 L C 0.391 177.465 176.870 0.340 0.000 1.046 454 L CA -0.091 54.931 54.840 0.302 0.000 0.816 454 L CB 0.620 42.820 42.059 0.235 0.000 1.197 454 L HN 0.405 nan 8.230 nan 0.000 0.427 455 T N 3.236 117.999 114.554 0.347 0.000 2.912 455 T HA 0.663 5.013 4.350 -0.000 0.000 0.288 455 T C -0.464 174.385 174.700 0.248 0.000 1.030 455 T CA -0.644 61.632 62.100 0.294 0.000 1.020 455 T CB 1.547 70.601 68.868 0.309 0.000 1.056 455 T HN 0.442 nan 8.240 nan 0.000 0.480 456 I N 3.941 124.623 120.570 0.186 0.000 2.468 456 I HA 0.366 4.536 4.170 -0.000 0.000 0.285 456 I C -2.295 173.868 176.117 0.076 0.000 1.039 456 I CA -2.783 58.601 61.300 0.141 0.000 1.074 456 I CB 2.558 40.648 38.000 0.149 0.000 1.228 456 I HN 0.502 nan 8.210 nan 0.000 0.436 457 P HA 0.014 nan 4.420 nan 0.000 0.267 457 P C -2.492 174.807 177.300 -0.002 0.000 1.195 457 P CA -0.951 62.167 63.100 0.030 0.000 0.773 457 P CB -0.481 31.239 31.700 0.033 0.000 0.837 458 P HA 0.108 nan 4.420 nan 0.000 0.269 458 P C -0.236 177.050 177.300 -0.023 0.000 1.263 458 P CA 0.184 63.260 63.100 -0.040 0.000 0.813 458 P CB -0.046 31.610 31.700 -0.072 0.000 0.868 459 M N 4.113 123.705 119.600 -0.012 0.000 2.522 459 M HA 0.043 4.523 4.480 -0.000 0.000 0.333 459 M C 0.944 177.232 176.300 -0.021 0.000 1.632 459 M CA 0.863 56.156 55.300 -0.011 0.000 1.293 459 M CB -0.737 31.858 32.600 -0.008 0.000 1.857 459 M HN 0.347 nan 8.290 nan 0.000 0.456 460 K N 1.590 121.979 120.400 -0.017 0.000 2.168 460 K HA -0.286 4.034 4.320 -0.000 0.000 0.446 460 K C 0.105 176.692 176.600 -0.021 0.000 1.612 460 K CA 1.579 57.855 56.287 -0.018 0.000 0.959 460 K CB -0.282 32.208 32.500 -0.017 0.000 1.350 460 K HN 1.012 nan 8.250 nan 0.000 0.820 461 N N 1.426 120.114 118.700 -0.020 0.000 3.105 461 N HA 0.036 4.776 4.740 -0.000 0.000 0.309 461 N C 0.677 176.180 175.510 -0.012 0.000 1.291 461 N CA -0.124 52.910 53.050 -0.026 0.000 1.153 461 N CB -0.131 38.338 38.487 -0.030 0.000 1.447 461 N HN 0.291 nan 8.380 nan 0.000 0.555 462 L N -1.410 119.820 121.223 0.012 0.000 2.902 462 L HA 0.510 4.850 4.340 -0.000 0.000 0.254 462 L C 0.470 177.404 176.870 0.107 0.000 1.115 462 L CA -0.212 54.674 54.840 0.076 0.000 0.947 462 L CB 0.343 42.455 42.059 0.088 0.000 1.369 462 L HN 0.354 nan 8.230 nan 0.000 0.538 463 A N 0.343 123.195 122.820 0.053 0.000 2.583 463 A HA 0.550 4.870 4.320 -0.000 0.000 0.292 463 A C -1.852 175.737 177.584 0.009 0.000 1.045 463 A CA -0.473 51.600 52.037 0.061 0.000 0.672 463 A CB 1.111 20.171 19.000 0.100 0.000 1.283 463 A HN -0.017 nan 8.150 nan 0.000 0.419 464 L N 1.135 122.354 121.223 -0.005 0.000 2.448 464 L HA 0.759 5.099 4.340 -0.000 0.000 0.258 464 L C 1.413 178.200 176.870 -0.139 0.000 1.104 464 L CA 0.455 55.236 54.840 -0.100 0.000 0.800 464 L CB 1.001 42.962 42.059 -0.164 0.000 1.241 464 L HN 1.196 nan 8.230 nan 0.000 0.472 465 G N 0.227 108.881 108.800 -0.243 0.000 2.504 465 G HA2 0.338 4.298 3.960 -0.000 0.000 0.291 465 G HA3 0.338 4.298 3.960 -0.000 0.000 0.291 465 G C -1.020 173.755 174.900 -0.209 0.000 1.345 465 G CA -0.118 44.858 45.100 -0.207 0.000 1.090 465 G HN 0.563 nan 8.290 nan 0.000 0.591 466 V N -0.279 119.597 119.914 -0.063 0.000 2.932 466 V HA 0.423 4.543 4.120 -0.000 0.000 0.307 466 V C -0.475 175.729 176.094 0.184 0.000 1.147 466 V CA -0.462 61.917 62.300 0.133 0.000 0.951 466 V CB 2.055 34.007 31.823 0.215 0.000 1.031 466 V HN 0.599 nan 8.190 nan 0.000 0.426 467 I N 3.816 124.587 120.570 0.334 0.000 2.466 467 I HA 0.445 4.615 4.170 -0.000 0.000 0.279 467 I C -0.206 176.154 176.117 0.405 0.000 1.033 467 I CA -0.131 61.370 61.300 0.336 0.000 1.123 467 I CB 1.213 39.373 38.000 0.267 0.000 1.237 467 I HN 0.671 nan 8.210 nan 0.000 0.460 468 N N 3.055 121.950 118.700 0.324 0.000 2.471 468 N HA 0.626 5.366 4.740 -0.000 0.000 0.288 468 N C -0.624 174.937 175.510 0.086 0.000 1.220 468 N CA -0.747 52.429 53.050 0.209 0.000 0.893 468 N CB 2.039 40.584 38.487 0.097 0.000 1.256 468 N HN 0.461 nan 8.380 nan 0.000 0.534 469 T N -0.846 113.678 114.554 -0.049 0.000 2.829 469 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 469 T C -0.695 173.888 174.700 -0.195 0.000 0.999 469 T CA -0.735 61.226 62.100 -0.231 0.000 0.983 469 T CB 1.180 69.862 68.868 -0.310 0.000 0.968 469 T HN 0.211 nan 8.240 nan 0.000 0.446 470 L N 1.904 123.011 121.223 -0.194 0.000 2.325 470 L HA 0.659 4.999 4.340 -0.000 0.000 0.278 470 L C -0.592 176.144 176.870 -0.223 0.000 1.023 470 L CA -0.266 54.442 54.840 -0.220 0.000 0.811 470 L CB 1.422 43.413 42.059 -0.114 0.000 1.249 470 L HN 0.824 nan 8.230 nan 0.000 0.431 471 E N 4.779 124.814 120.200 -0.275 0.000 2.263 471 E HA 0.203 4.553 4.350 -0.000 0.000 0.268 471 E C -0.819 175.685 176.600 -0.160 0.000 0.884 471 E CA -0.490 55.776 56.400 -0.224 0.000 0.766 471 E CB 1.329 30.885 29.700 -0.240 0.000 1.196 471 E HN 0.720 nan 8.360 nan 0.000 0.416 472 W N 2.598 123.763 121.300 -0.225 0.000 3.305 472 W HA 0.160 4.820 4.660 0.000 0.000 0.252 472 W C 1.327 177.811 176.519 -0.058 0.000 0.929 472 W CA -0.045 57.229 57.345 -0.119 0.000 2.186 472 W CB -0.938 28.447 29.460 -0.126 0.000 1.174 472 W HN 0.518 nan 8.180 nan 0.000 0.589 473 I N 3.750 123.801 120.570 -0.865 0.000 2.423 473 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 473 I C -0.223 175.653 176.117 -0.402 0.000 1.151 473 I CA 1.381 62.267 61.300 -0.689 0.000 1.421 473 I CB -1.327 35.886 38.000 -1.311 0.000 1.079 473 I HN -0.090 nan 8.210 nan 0.000 0.431 474 P HA -0.035 nan 4.420 nan 0.000 0.222 474 P C -0.543 176.684 177.300 -0.122 0.000 1.157 474 P CA 0.654 63.614 63.100 -0.233 0.000 0.816 474 P CB 0.306 31.862 31.700 -0.241 0.000 0.813 475 R N -2.525 117.921 120.500 -0.090 0.000 4.584 475 R HA 0.182 4.522 4.340 -0.000 0.000 0.251 475 R C -1.614 174.721 176.300 0.058 0.000 0.957 475 R CA -0.806 55.302 56.100 0.013 0.000 1.195 475 R CB -0.844 29.462 30.300 0.011 0.000 1.233 475 R HN -0.147 nan 8.270 nan 0.000 0.630 476 F N 2.929 122.884 119.950 0.008 0.000 2.543 476 F HA 0.473 5.000 4.527 -0.000 0.000 0.375 476 F C -0.347 175.463 175.800 0.016 0.000 1.075 476 F CA 0.883 58.901 58.000 0.029 0.000 1.225 476 F CB 0.713 39.740 39.000 0.045 0.000 1.099 476 F HN 0.676 nan 8.300 nan 0.000 0.561 477 K N 4.836 124.967 120.400 -0.448 0.000 2.587 477 K HA 0.383 4.703 4.320 -0.000 0.000 0.256 477 K C -2.076 174.305 176.600 -0.364 0.000 0.974 477 K CA -0.549 55.597 56.287 -0.236 0.000 0.855 477 K CB 1.503 33.955 32.500 -0.081 0.000 1.292 477 K HN 0.319 nan 8.250 nan 0.000 0.444 478 V N 4.374 124.129 119.914 -0.265 0.000 2.240 478 V HA 0.331 4.451 4.120 -0.000 0.000 0.265 478 V C -0.420 175.567 176.094 -0.179 0.000 1.073 478 V CA -0.569 61.553 62.300 -0.296 0.000 0.857 478 V CB 0.419 31.965 31.823 -0.461 0.000 1.114 478 V HN 0.802 nan 8.190 nan 0.000 0.469 479 S N 6.050 121.682 115.700 -0.115 0.000 2.554 479 S HA 0.621 5.090 4.470 -0.000 0.000 0.278 479 S C -2.174 172.405 174.600 -0.036 0.000 1.242 479 S CA -1.424 56.748 58.200 -0.046 0.000 1.051 479 S CB 1.654 64.835 63.200 -0.031 0.000 0.986 479 S HN 0.489 nan 8.310 nan 0.000 0.502 480 P HA 0.048 nan 4.420 nan 0.000 0.278 480 P C -0.563 176.789 177.300 0.087 0.000 1.270 480 P CA 0.167 63.234 63.100 -0.054 0.000 0.800 480 P CB 0.398 31.900 31.700 -0.329 0.000 1.142 481 Y N -2.093 118.197 120.300 -0.016 0.000 3.194 481 Y HA 0.221 4.771 4.550 -0.000 0.000 0.205 481 Y C 0.118 176.023 175.900 0.008 0.000 1.058 481 Y CA 0.097 58.218 58.100 0.035 0.000 1.568 481 Y CB 0.670 39.232 38.460 0.170 0.000 1.421 481 Y HN 0.115 nan 8.280 nan 0.000 0.394 482 R N -0.083 120.545 120.500 0.213 0.000 2.740 482 R HA 0.381 4.721 4.340 -0.000 0.000 0.273 482 R C -0.784 175.568 176.300 0.086 0.000 0.998 482 R CA -0.160 55.898 56.100 -0.069 0.000 0.900 482 R CB 1.523 31.701 30.300 -0.204 0.000 1.223 482 R HN 0.455 nan 8.270 nan 0.000 0.466 483 F N -2.080 117.894 119.950 0.040 0.000 2.571 483 F HA -0.319 4.208 4.527 -0.000 0.000 0.515 483 F C 0.938 176.779 175.800 0.068 0.000 0.532 483 F CA 1.544 59.571 58.000 0.046 0.000 1.158 483 F CB -1.902 37.125 39.000 0.045 0.000 1.848 483 F HN 0.556 nan 8.300 nan 0.000 0.266 484 T N 0.249 114.929 114.554 0.210 0.000 2.897 484 T HA 0.602 4.952 4.350 -0.000 0.000 0.294 484 T C -0.024 174.755 174.700 0.131 0.000 1.004 484 T CA -0.187 62.022 62.100 0.181 0.000 1.106 484 T CB 2.055 71.022 68.868 0.164 0.000 0.949 484 T HN 0.726 nan 8.240 nan 0.000 0.520 485 V N -0.158 119.851 119.914 0.158 0.000 2.357 485 V HA 0.540 4.660 4.120 -0.000 0.000 0.284 485 V C -2.887 173.314 176.094 0.178 0.000 1.018 485 V CA -2.933 59.449 62.300 0.136 0.000 0.841 485 V CB 0.541 32.436 31.823 0.120 0.000 0.991 485 V HN 0.643 nan 8.190 nan 0.000 0.437 486 P HA 0.277 nan 4.420 nan 0.000 0.267 486 P C -0.677 176.700 177.300 0.128 0.000 1.200 486 P CA 0.181 63.434 63.100 0.256 0.000 0.772 486 P CB 0.382 32.206 31.700 0.207 0.000 0.855 487 I N 2.377 122.988 120.570 0.069 0.000 2.476 487 I HA 0.193 4.363 4.170 -0.000 0.000 0.281 487 I C 0.814 176.928 176.117 -0.004 0.000 1.040 487 I CA -0.967 60.347 61.300 0.023 0.000 1.094 487 I CB 1.138 39.144 38.000 0.009 0.000 1.219 487 I HN 0.415 nan 8.210 nan 0.000 0.450 488 K N 5.624 126.030 120.400 0.010 0.000 2.140 488 K HA 0.363 4.683 4.320 -0.000 0.000 0.237 488 K C 0.043 176.641 176.600 -0.004 0.000 1.045 488 K CA -0.262 56.028 56.287 0.004 0.000 0.896 488 K CB 0.832 33.341 32.500 0.015 0.000 1.122 488 K HN 0.344 nan 8.250 nan 0.000 0.503 489 E N -2.365 117.833 120.200 -0.003 0.000 3.496 489 E HA -0.265 4.085 4.350 -0.000 0.000 0.300 489 E C 0.642 177.236 176.600 -0.011 0.000 0.877 489 E CA 1.384 57.781 56.400 -0.005 0.000 1.050 489 E CB -2.114 27.584 29.700 -0.003 0.000 1.532 489 E HN 0.732 nan 8.360 nan 0.000 0.447 490 A N -0.549 122.259 122.820 -0.019 0.000 2.014 490 A HA 0.549 4.869 4.320 -0.000 0.000 0.210 490 A C 1.960 179.527 177.584 -0.027 0.000 1.188 490 A CA 2.036 54.057 52.037 -0.028 0.000 0.731 490 A CB 0.445 19.417 19.000 -0.047 0.000 0.858 490 A HN 0.902 nan 8.150 nan 0.000 0.464 491 G N -3.207 105.579 108.800 -0.022 0.000 2.905 491 G HA2 0.239 4.199 3.960 -0.000 0.000 0.196 491 G HA3 0.239 4.199 3.960 -0.000 0.000 0.196 491 G C 0.978 175.872 174.900 -0.009 0.000 1.044 491 G CA 0.747 45.838 45.100 -0.015 0.000 0.778 491 G HN 1.638 nan 8.290 nan 0.000 0.474 492 G N 0.458 109.247 108.800 -0.019 0.000 3.958 492 G HA2 0.407 4.367 3.960 -0.000 0.000 0.127 492 G HA3 0.407 4.367 3.960 -0.000 0.000 0.127 492 G C -1.074 173.816 174.900 -0.016 0.000 1.260 492 G CA 1.111 46.211 45.100 -0.000 0.000 1.105 492 G HN 1.130 nan 8.290 nan 0.000 0.431 493 D N 0.109 120.478 120.400 -0.052 0.000 2.432 493 D HA 0.459 5.099 4.640 -0.000 0.000 0.265 493 D C -0.756 175.255 176.300 -0.482 0.000 1.160 493 D CA -0.723 53.161 54.000 -0.192 0.000 0.911 493 D CB 0.538 41.450 40.800 0.187 0.000 1.052 493 D HN 0.345 nan 8.370 nan 0.000 0.508 494 c N 5.183 123.414 118.600 -0.614 0.000 2.301 494 c HA 0.451 5.021 4.570 -0.000 0.000 0.313 494 c C -0.941 172.887 174.090 -0.437 0.000 1.121 494 c CA -0.350 55.758 56.329 -0.369 0.000 1.507 494 c CB -0.884 41.538 42.510 -0.145 0.000 1.975 494 c HN 0.620 nan 8.230 nan 0.000 0.425 495 H N 3.656 122.798 119.070 0.119 0.000 2.495 495 H HA 0.724 5.280 4.556 -0.000 0.000 0.348 495 H C 0.068 175.488 175.328 0.153 0.000 1.113 495 H CA -0.169 55.953 56.048 0.122 0.000 1.195 495 H CB 1.857 31.691 29.762 0.120 0.000 1.521 495 H HN 0.768 nan 8.280 nan 0.000 0.509 496 A N 4.094 127.059 122.820 0.241 0.000 2.313 496 A HA 0.544 4.864 4.320 -0.000 0.000 0.323 496 A C -1.845 175.863 177.584 0.206 0.000 1.133 496 A CA -1.668 50.491 52.037 0.204 0.000 0.847 496 A CB 1.530 20.613 19.000 0.137 0.000 1.308 496 A HN 0.424 nan 8.150 nan 0.000 0.475 497 P HA 0.168 nan 4.420 nan 0.000 0.201 497 P C 0.168 177.572 177.300 0.173 0.000 1.038 497 P CA 1.032 64.243 63.100 0.185 0.000 0.756 497 P CB 0.173 31.971 31.700 0.163 0.000 0.626 498 T N -3.973 110.679 114.554 0.163 0.000 2.718 498 T HA 0.378 4.728 4.350 -0.000 0.000 0.306 498 T C -1.026 173.817 174.700 0.238 0.000 1.485 498 T CA -0.044 62.162 62.100 0.177 0.000 0.997 498 T CB 1.434 70.400 68.868 0.163 0.000 1.504 498 T HN 0.263 nan 8.240 nan 0.000 0.497 499 Y N 0.506 120.833 120.300 0.045 0.000 2.610 499 Y HA 0.553 5.103 4.550 -0.000 0.000 0.102 499 Y C -0.728 175.186 175.900 0.024 0.000 0.950 499 Y CA -0.441 57.676 58.100 0.027 0.000 1.839 499 Y CB -0.304 38.171 38.460 0.024 0.000 1.162 499 Y HN 0.562 nan 8.280 nan 0.000 0.205 500 L N 3.530 124.672 121.223 -0.134 0.000 3.721 500 L HA -0.166 4.174 4.340 -0.000 0.000 0.625 500 L C -2.047 174.582 176.870 -0.402 0.000 1.186 500 L CA 0.215 54.923 54.840 -0.220 0.000 0.961 500 L CB -0.614 41.409 42.059 -0.060 0.000 1.418 500 L HN 0.412 nan 8.230 nan 0.000 0.838 501 P HA -0.165 nan 4.420 nan 0.000 0.230 501 P C 1.392 178.559 177.300 -0.221 0.000 1.158 501 P CA 1.466 64.264 63.100 -0.505 0.000 0.769 501 P CB 0.314 31.690 31.700 -0.540 0.000 0.807 502 A N 1.761 124.486 122.820 -0.159 0.000 1.827 502 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 502 A C 1.303 178.858 177.584 -0.048 0.000 1.212 502 A CA 1.192 53.190 52.037 -0.065 0.000 0.624 502 A CB -1.189 17.794 19.000 -0.027 0.000 0.853 502 A HN 0.214 nan 8.150 nan 0.000 0.450 503 E N -0.294 119.878 120.200 -0.046 0.000 2.026 503 E HA 0.420 4.770 4.350 -0.000 0.000 0.253 503 E C -1.405 175.156 176.600 -0.065 0.000 1.056 503 E CA -0.214 56.162 56.400 -0.040 0.000 0.927 503 E CB 0.874 30.557 29.700 -0.027 0.000 1.172 503 E HN 0.175 nan 8.360 nan 0.000 0.445 504 V N 2.772 122.644 119.914 -0.071 0.000 2.569 504 V HA 0.150 4.270 4.120 -0.000 0.000 0.301 504 V C -1.017 175.042 176.094 -0.057 0.000 1.044 504 V CA -0.889 61.365 62.300 -0.076 0.000 0.874 504 V CB 2.023 33.782 31.823 -0.106 0.000 1.002 504 V HN 0.426 nan 8.190 nan 0.000 0.424 505 D N 4.107 124.475 120.400 -0.053 0.000 2.350 505 D HA 0.354 4.994 4.640 -0.000 0.000 0.249 505 D C 1.010 177.290 176.300 -0.034 0.000 1.119 505 D CA 0.882 54.856 54.000 -0.042 0.000 0.886 505 D CB 2.156 42.931 40.800 -0.041 0.000 1.195 505 D HN 0.710 nan 8.370 nan 0.000 0.437 506 G N 2.206 110.989 108.800 -0.028 0.000 2.744 506 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.211 506 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.211 506 G C 0.835 175.721 174.900 -0.024 0.000 1.146 506 G CA -0.076 45.011 45.100 -0.022 0.000 0.787 506 G HN 0.412 nan 8.290 nan 0.000 0.534 507 D N 0.179 120.560 120.400 -0.032 0.000 2.340 507 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 507 D C 0.567 176.846 176.300 -0.034 0.000 1.039 507 D CA 0.076 54.048 54.000 -0.047 0.000 0.866 507 D CB 0.790 41.552 40.800 -0.063 0.000 0.913 507 D HN 0.053 nan 8.370 nan 0.000 0.523 508 V N 2.160 122.064 119.914 -0.017 0.000 2.368 508 V HA 0.100 4.220 4.120 -0.000 0.000 0.266 508 V C 1.182 177.289 176.094 0.022 0.000 1.045 508 V CA -0.318 61.983 62.300 0.001 0.000 0.899 508 V CB 1.517 33.327 31.823 -0.021 0.000 1.006 508 V HN -0.086 nan 8.190 nan 0.000 0.470 509 K N 3.421 123.869 120.400 0.080 0.000 2.063 509 K HA 0.265 4.585 4.320 -0.000 0.000 0.204 509 K C 0.217 176.827 176.600 0.016 0.000 1.039 509 K CA 0.704 57.020 56.287 0.048 0.000 0.957 509 K CB 0.124 32.659 32.500 0.060 0.000 0.764 509 K HN 0.448 nan 8.250 nan 0.000 0.447 510 L N -0.412 120.838 121.223 0.045 0.000 2.283 510 L HA 0.447 4.787 4.340 -0.000 0.000 0.259 510 L C -1.219 175.671 176.870 0.033 0.000 1.027 510 L CA -0.466 54.382 54.840 0.014 0.000 0.828 510 L CB 2.370 44.415 42.059 -0.024 0.000 1.380 510 L HN -0.065 nan 8.230 nan 0.000 0.425 511 S N 0.041 115.750 115.700 0.014 0.000 2.536 511 S HA 0.659 5.129 4.470 -0.000 0.000 0.287 511 S C -0.577 174.037 174.600 0.025 0.000 1.101 511 S CA -0.349 57.856 58.200 0.009 0.000 0.950 511 S CB 1.618 64.809 63.200 -0.015 0.000 1.056 511 S HN 0.913 nan 8.310 nan 0.000 0.481 512 S N 2.650 118.372 115.700 0.037 0.000 2.596 512 S HA 0.325 4.795 4.470 -0.000 0.000 0.262 512 S C 0.342 174.988 174.600 0.076 0.000 1.218 512 S CA -0.640 57.602 58.200 0.070 0.000 0.998 512 S CB -0.110 63.145 63.200 0.091 0.000 1.060 512 S HN 0.829 nan 8.310 nan 0.000 0.552 513 N N -0.411 118.357 118.700 0.114 0.000 2.405 513 N HA 0.266 5.006 4.740 -0.000 0.000 0.269 513 N C -1.202 174.398 175.510 0.151 0.000 1.249 513 N CA -0.693 52.433 53.050 0.128 0.000 0.974 513 N CB 0.139 38.722 38.487 0.161 0.000 1.204 513 N HN 0.500 nan 8.380 nan 0.000 0.565 514 L N 1.092 122.422 121.223 0.179 0.000 2.313 514 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 514 L C -0.575 176.408 176.870 0.188 0.000 1.028 514 L CA -0.852 54.091 54.840 0.172 0.000 0.871 514 L CB 0.637 42.758 42.059 0.103 0.000 1.242 514 L HN 0.469 nan 8.230 nan 0.000 0.434 515 V N 5.913 125.902 119.914 0.125 0.000 2.465 515 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 515 V C -0.090 175.813 176.094 -0.318 0.000 1.045 515 V CA -0.560 61.691 62.300 -0.082 0.000 0.938 515 V CB 1.322 33.217 31.823 0.121 0.000 0.986 515 V HN 0.447 nan 8.190 nan 0.000 0.467 516 I N 7.603 127.613 120.570 -0.934 0.000 2.312 516 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 516 I C 0.252 176.198 176.117 -0.285 0.000 1.031 516 I CA -0.301 60.656 61.300 -0.572 0.000 1.293 516 I CB 1.009 38.569 38.000 -0.733 0.000 1.403 516 I HN 0.576 nan 8.210 nan 0.000 0.484 517 L N 9.352 130.507 121.223 -0.113 0.000 2.407 517 L HA 0.179 4.519 4.340 -0.000 0.000 0.282 517 L C -1.658 175.205 176.870 -0.011 0.000 1.110 517 L CA -1.511 53.313 54.840 -0.026 0.000 0.863 517 L CB -0.051 42.002 42.059 -0.009 0.000 1.207 517 L HN 0.346 nan 8.230 nan 0.000 0.454 518 P HA 0.109 nan 4.420 nan 0.000 0.263 518 P C -0.031 177.302 177.300 0.054 0.000 1.195 518 P CA 0.306 63.439 63.100 0.055 0.000 0.762 518 P CB 1.282 33.035 31.700 0.088 0.000 0.799 519 G N 2.760 111.590 108.800 0.050 0.000 2.561 519 G HA2 0.210 4.170 3.960 -0.000 0.000 0.310 519 G HA3 0.210 4.170 3.960 -0.000 0.000 0.310 519 G C 0.526 175.455 174.900 0.047 0.000 1.292 519 G CA -0.392 44.736 45.100 0.047 0.000 0.811 519 G HN 0.395 nan 8.290 nan 0.000 0.482 520 Q N -0.101 119.724 119.800 0.041 0.000 2.050 520 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 520 Q C -0.350 175.680 176.000 0.050 0.000 0.980 520 Q CA 1.534 57.361 55.803 0.040 0.000 0.840 520 Q CB -0.229 28.529 28.738 0.035 0.000 0.898 520 Q HN 0.492 nan 8.270 nan 0.000 0.424 521 D N 0.826 121.259 120.400 0.055 0.000 2.457 521 D HA 0.253 4.893 4.640 -0.000 0.000 0.240 521 D C -0.433 175.893 176.300 0.044 0.000 1.041 521 D CA -0.939 53.105 54.000 0.074 0.000 0.861 521 D CB 1.950 42.797 40.800 0.080 0.000 1.394 521 D HN 0.089 nan 8.370 nan 0.000 0.473 522 L N 2.171 123.410 121.223 0.026 0.000 2.949 522 L HA -0.189 4.151 4.340 -0.000 0.000 0.293 522 L C -0.145 176.709 176.870 -0.026 0.000 1.021 522 L CA 1.212 55.956 54.840 -0.160 0.000 1.064 522 L CB -0.607 41.292 42.059 -0.267 0.000 1.524 522 L HN 0.238 nan 8.230 nan 0.000 0.435 523 Q N 4.331 124.121 119.800 -0.017 0.000 2.359 523 Q HA 0.729 5.069 4.340 -0.000 0.000 0.275 523 Q C -1.432 174.668 176.000 0.168 0.000 1.082 523 Q CA -0.696 55.160 55.803 0.089 0.000 0.849 523 Q CB 2.641 31.394 28.738 0.025 0.000 1.377 523 Q HN 0.675 nan 8.270 nan 0.000 0.452 524 Y N -3.096 117.159 120.300 -0.075 0.000 2.889 524 Y HA 0.564 5.114 4.550 -0.000 0.000 0.379 524 Y C -1.759 174.115 175.900 -0.043 0.000 1.179 524 Y CA -1.292 56.748 58.100 -0.099 0.000 1.178 524 Y CB 0.244 38.624 38.460 -0.133 0.000 1.460 524 Y HN 0.457 nan 8.280 nan 0.000 0.472 525 V N 0.325 120.213 119.914 -0.043 0.000 3.182 525 V HA 0.979 5.099 4.120 -0.000 0.000 0.308 525 V C -1.425 174.735 176.094 0.110 0.000 1.240 525 V CA -0.862 61.386 62.300 -0.086 0.000 1.063 525 V CB 1.699 33.467 31.823 -0.091 0.000 1.076 525 V HN 1.715 nan 8.190 nan 0.000 0.446 526 L N -1.360 119.940 121.223 0.128 0.000 2.781 526 L HA 1.033 5.373 4.340 -0.000 0.000 0.256 526 L C -0.557 176.415 176.870 0.169 0.000 0.930 526 L CA 0.016 54.949 54.840 0.155 0.000 0.967 526 L CB 0.688 42.820 42.059 0.123 0.000 1.551 526 L HN 1.585 nan 8.230 nan 0.000 0.445 527 A N 1.025 123.910 122.820 0.110 0.000 2.326 527 A HA 0.993 5.313 4.320 -0.000 0.000 0.303 527 A C -0.197 177.378 177.584 -0.015 0.000 1.164 527 A CA -0.153 51.863 52.037 -0.035 0.000 0.929 527 A CB 1.595 20.337 19.000 -0.431 0.000 1.363 527 A HN 1.054 nan 8.150 nan 0.000 0.498 528 T N -1.441 113.085 114.554 -0.046 0.000 2.932 528 T HA 0.444 4.793 4.350 -0.000 0.000 0.318 528 T C -2.027 172.648 174.700 -0.042 0.000 1.265 528 T CA -0.225 61.870 62.100 -0.008 0.000 1.036 528 T CB 0.835 69.710 68.868 0.011 0.000 1.209 528 T HN 0.520 nan 8.240 nan 0.000 0.484 529 Y N 3.197 123.437 120.300 -0.100 0.000 2.436 529 Y HA 0.486 5.036 4.550 -0.000 0.000 0.343 529 Y C -0.095 175.742 175.900 -0.106 0.000 1.008 529 Y CA -0.208 57.822 58.100 -0.116 0.000 1.241 529 Y CB 0.608 39.015 38.460 -0.087 0.000 1.153 529 Y HN 0.612 nan 8.280 nan 0.000 0.521 530 D N 3.351 123.509 120.400 -0.404 0.000 2.593 530 D HA 0.168 4.808 4.640 -0.000 0.000 0.251 530 D C 0.150 176.230 176.300 -0.366 0.000 1.140 530 D CA -0.446 53.396 54.000 -0.262 0.000 0.855 530 D CB 1.324 42.030 40.800 -0.157 0.000 1.267 530 D HN 0.537 nan 8.370 nan 0.000 0.532 531 T N 0.103 114.479 114.554 -0.297 0.000 3.145 531 T HA 0.074 4.424 4.350 -0.000 0.000 0.255 531 T C 1.619 176.203 174.700 -0.193 0.000 1.039 531 T CA 0.469 62.341 62.100 -0.380 0.000 0.928 531 T CB -0.238 68.297 68.868 -0.554 0.000 1.029 531 T HN 0.252 nan 8.240 nan 0.000 0.554 532 S N 2.407 118.029 115.700 -0.130 0.000 2.359 532 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 532 S C 1.498 176.113 174.600 0.026 0.000 1.035 532 S CA 0.198 58.378 58.200 -0.033 0.000 1.018 532 S CB -0.625 62.583 63.200 0.014 0.000 0.876 532 S HN 0.864 nan 8.310 nan 0.000 0.448 533 R N 0.349 120.791 120.500 -0.096 0.000 2.611 533 R HA 0.490 4.830 4.340 -0.000 0.000 0.243 533 R C 1.470 177.760 176.300 -0.017 0.000 1.260 533 R CA -0.225 55.834 56.100 -0.069 0.000 1.095 533 R CB -0.258 29.768 30.300 -0.457 0.000 1.259 533 R HN 0.040 nan 8.270 nan 0.000 0.575 534 V N 0.126 120.044 119.914 0.006 0.000 2.295 534 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 534 V C 0.773 176.886 176.094 0.032 0.000 1.049 534 V CA 1.700 64.012 62.300 0.020 0.000 1.024 534 V CB -0.730 31.101 31.823 0.013 0.000 0.648 534 V HN 0.617 nan 8.190 nan 0.000 0.447 535 E N -0.688 119.502 120.200 -0.017 0.000 2.174 535 E HA 0.264 4.614 4.350 -0.000 0.000 0.282 535 E C -0.349 176.244 176.600 -0.011 0.000 0.992 535 E CA -0.298 56.095 56.400 -0.012 0.000 0.803 535 E CB 0.579 30.236 29.700 -0.072 0.000 1.090 535 E HN 0.595 nan 8.360 nan 0.000 0.396 536 H N 1.094 120.048 119.070 -0.193 0.000 2.948 536 H HA 0.228 4.784 4.556 -0.000 0.000 0.351 536 H C -0.218 174.825 175.328 -0.474 0.000 1.079 536 H CA -0.240 55.606 56.048 -0.337 0.000 1.407 536 H CB 0.727 30.350 29.762 -0.232 0.000 1.373 536 H HN 0.506 nan 8.280 nan 0.000 0.605 537 A N 2.303 124.790 122.820 -0.555 0.000 2.606 537 A HA 0.410 4.730 4.320 -0.000 0.000 0.293 537 A C -0.959 176.260 177.584 -0.608 0.000 1.082 537 A CA -0.701 51.034 52.037 -0.502 0.000 0.685 537 A CB 1.419 20.217 19.000 -0.337 0.000 1.284 537 A HN 0.433 nan 8.150 nan 0.000 0.408 538 V N 2.032 121.620 119.914 -0.544 0.000 2.270 538 V HA 0.297 4.417 4.120 -0.000 0.000 0.263 538 V C -0.110 175.694 176.094 -0.483 0.000 1.066 538 V CA -0.338 61.606 62.300 -0.594 0.000 0.857 538 V CB 0.440 31.675 31.823 -0.980 0.000 1.099 538 V HN 0.577 nan 8.190 nan 0.000 0.476 539 V N 5.158 124.859 119.914 -0.356 0.000 2.546 539 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 539 V C -0.267 175.668 176.094 -0.265 0.000 1.050 539 V CA -0.494 61.646 62.300 -0.267 0.000 0.981 539 V CB 0.938 32.691 31.823 -0.115 0.000 0.990 539 V HN 0.623 nan 8.190 nan 0.000 0.474 540 Y N 3.231 123.435 120.300 -0.161 0.000 2.453 540 Y HA 0.604 5.154 4.550 -0.000 0.000 0.326 540 Y C -0.474 175.117 175.900 -0.514 0.000 1.186 540 Y CA -0.689 57.310 58.100 -0.168 0.000 1.200 540 Y CB 1.502 39.871 38.460 -0.151 0.000 1.247 540 Y HN 0.512 nan 8.280 nan 0.000 0.482 541 Y N 0.509 120.698 120.300 -0.185 0.000 2.322 541 Y HA 0.519 5.069 4.550 -0.000 0.000 0.324 541 Y C -1.057 174.365 175.900 -0.795 0.000 1.027 541 Y CA -1.092 56.672 58.100 -0.561 0.000 1.179 541 Y CB 1.544 39.668 38.460 -0.559 0.000 1.136 541 Y HN 0.180 nan 8.280 nan 0.000 0.449 542 V N 4.394 123.738 119.914 -0.950 0.000 2.347 542 V HA 0.324 4.444 4.120 -0.000 0.000 0.280 542 V C -1.080 174.572 176.094 -0.737 0.000 1.021 542 V CA -1.012 60.808 62.300 -0.799 0.000 0.847 542 V CB 0.503 31.814 31.823 -0.853 0.000 0.990 542 V HN 0.492 nan 8.190 nan 0.000 0.444 543 Y N 2.310 122.320 120.300 -0.483 0.000 2.345 543 Y HA 0.488 5.038 4.550 -0.000 0.000 0.331 543 Y C 0.632 176.378 175.900 -0.257 0.000 0.959 543 Y CA -0.795 57.065 58.100 -0.400 0.000 1.204 543 Y CB 2.125 40.252 38.460 -0.556 0.000 1.135 543 Y HN 0.553 nan 8.280 nan 0.000 0.477 544 S N 5.742 121.488 115.700 0.077 0.000 2.252 544 S HA 0.333 4.803 4.470 -0.000 0.000 0.180 544 S C -2.054 172.598 174.600 0.087 0.000 1.534 544 S CA -1.582 56.669 58.200 0.084 0.000 1.141 544 S CB 0.284 63.549 63.200 0.109 0.000 1.122 544 S HN 0.343 nan 8.310 nan 0.000 0.475 545 P HA -0.055 nan 4.420 nan 0.000 0.223 545 P C 1.095 178.415 177.300 0.034 0.000 1.144 545 P CA 0.546 63.668 63.100 0.037 0.000 0.783 545 P CB 0.131 31.862 31.700 0.052 0.000 0.771 546 S N -0.930 114.804 115.700 0.056 0.000 2.795 546 S HA -0.056 4.414 4.470 -0.000 0.000 0.236 546 S C 1.056 175.673 174.600 0.029 0.000 0.973 546 S CA 0.533 58.762 58.200 0.048 0.000 0.982 546 S CB -0.824 62.408 63.200 0.053 0.000 0.786 546 S HN 0.170 nan 8.310 nan 0.000 0.538 547 R N -2.041 118.471 120.500 0.020 0.000 5.361 547 R HA 0.039 4.379 4.340 -0.000 0.000 0.073 547 R C 0.292 176.590 176.300 -0.003 0.000 0.621 547 R CA 0.523 56.626 56.100 0.005 0.000 1.339 547 R CB -0.829 29.464 30.300 -0.012 0.000 0.904 547 R HN 0.478 nan 8.270 nan 0.000 0.404 548 S N -0.958 114.772 115.700 0.051 0.000 2.436 548 S HA 0.224 4.694 4.470 -0.000 0.000 0.207 548 S C -0.641 174.082 174.600 0.206 0.000 0.847 548 S CA -0.476 57.750 58.200 0.043 0.000 1.623 548 S CB -0.155 63.047 63.200 0.005 0.000 1.267 548 S HN 0.186 nan 8.310 nan 0.000 0.591 549 F N 4.534 124.491 119.950 0.012 0.000 2.678 549 F HA 0.550 5.077 4.527 -0.000 0.000 0.358 549 F C 0.073 175.919 175.800 0.075 0.000 1.256 549 F CA -0.683 57.335 58.000 0.030 0.000 1.278 549 F CB -0.615 38.387 39.000 0.004 0.000 1.681 549 F HN 0.162 nan 8.300 nan 0.000 0.661 550 S N 3.658 119.445 115.700 0.146 0.000 2.707 550 S HA 0.505 4.975 4.470 -0.000 0.000 0.312 550 S C -0.896 173.692 174.600 -0.021 0.000 1.116 550 S CA -0.590 57.651 58.200 0.068 0.000 1.078 550 S CB 0.877 64.159 63.200 0.135 0.000 0.997 550 S HN 0.390 nan 8.310 nan 0.000 0.477 551 Y N 0.583 120.722 120.300 -0.268 0.000 2.659 551 Y HA 0.914 5.464 4.550 -0.000 0.000 0.333 551 Y C -1.043 174.721 175.900 -0.228 0.000 1.064 551 Y CA -2.564 55.393 58.100 -0.238 0.000 1.141 551 Y CB 0.636 38.935 38.460 -0.267 0.000 1.316 551 Y HN 0.504 nan 8.280 nan 0.000 0.509 552 F N 0.940 120.605 119.950 -0.474 0.000 2.579 552 F HA 0.619 5.146 4.527 -0.000 0.000 0.325 552 F C -2.233 173.341 175.800 -0.377 0.000 1.162 552 F CA -2.006 55.540 58.000 -0.757 0.000 0.946 552 F CB 0.639 38.983 39.000 -1.093 0.000 1.211 552 F HN 0.611 nan 8.300 nan 0.000 0.447 553 Y N 6.435 126.370 120.300 -0.609 0.000 2.387 553 Y HA 0.726 5.276 4.550 -0.000 0.000 0.336 553 Y C -2.741 172.939 175.900 -0.368 0.000 1.067 553 Y CA -2.667 55.169 58.100 -0.439 0.000 1.114 553 Y CB 2.407 40.767 38.460 -0.167 0.000 1.208 553 Y HN 0.494 nan 8.280 nan 0.000 0.458 554 P HA 0.206 nan 4.420 nan 0.000 0.300 554 P C -1.288 175.742 177.300 -0.450 0.000 1.356 554 P CA -0.087 62.599 63.100 -0.690 0.000 0.823 554 P CB 0.560 31.848 31.700 -0.688 0.000 0.934 555 F N 5.212 125.005 119.950 -0.262 0.000 2.310 555 F HA 0.352 4.879 4.527 -0.000 0.000 0.365 555 F C 0.675 176.316 175.800 -0.265 0.000 1.080 555 F CA -1.197 56.752 58.000 -0.086 0.000 1.187 555 F CB 0.822 39.856 39.000 0.058 0.000 1.465 555 F HN 0.107 nan 8.300 nan 0.000 0.496 556 R N 4.275 124.833 120.500 0.097 0.000 2.590 556 R HA 0.264 4.604 4.340 -0.000 0.000 0.274 556 R C -0.695 175.583 176.300 -0.036 0.000 1.061 556 R CA -0.600 55.463 56.100 -0.062 0.000 1.081 556 R CB 0.494 30.730 30.300 -0.107 0.000 0.984 556 R HN 0.394 nan 8.270 nan 0.000 0.448 557 L N 3.830 124.934 121.223 -0.197 0.000 2.387 557 L HA 0.299 4.639 4.340 -0.000 0.000 0.266 557 L C -1.114 175.674 176.870 -0.137 0.000 1.059 557 L CA -2.457 52.215 54.840 -0.280 0.000 0.801 557 L CB 0.610 42.386 42.059 -0.472 0.000 1.223 557 L HN 0.544 nan 8.230 nan 0.000 0.456 558 P HA 0.164 nan 4.420 nan 0.000 0.251 558 P C 0.203 177.473 177.300 -0.050 0.000 1.223 558 P CA 0.672 63.756 63.100 -0.026 0.000 0.796 558 P CB 1.376 33.100 31.700 0.041 0.000 1.068 559 I N -1.335 119.184 120.570 -0.086 0.000 3.174 559 I HA 0.425 4.595 4.170 -0.000 0.000 0.313 559 I C -0.844 175.160 176.117 -0.188 0.000 1.155 559 I CA -1.356 59.883 61.300 -0.102 0.000 0.977 559 I CB 2.842 40.817 38.000 -0.042 0.000 1.248 559 I HN -0.343 nan 8.210 nan 0.000 0.453 560 K N 1.651 121.901 120.400 -0.251 0.000 2.303 560 K HA 0.917 5.237 4.320 -0.000 0.000 0.233 560 K C -0.707 175.798 176.600 -0.159 0.000 1.046 560 K CA -0.717 55.285 56.287 -0.474 0.000 0.895 560 K CB 1.772 33.809 32.500 -0.773 0.000 1.220 560 K HN 0.903 nan 8.250 nan 0.000 0.470 561 G N -0.771 108.009 108.800 -0.034 0.000 2.368 561 G HA2 0.149 4.109 3.960 -0.000 0.000 0.302 561 G HA3 0.149 4.109 3.960 -0.000 0.000 0.302 561 G C -1.900 173.008 174.900 0.013 0.000 1.329 561 G CA -0.995 44.111 45.100 0.009 0.000 0.935 561 G HN 0.283 nan 8.290 nan 0.000 0.590 562 V N 2.540 122.413 119.914 -0.068 0.000 2.328 562 V HA 0.509 4.629 4.120 -0.000 0.000 0.278 562 V C -1.763 174.207 176.094 -0.206 0.000 1.021 562 V CA -1.350 60.867 62.300 -0.139 0.000 0.838 562 V CB 1.521 33.302 31.823 -0.070 0.000 0.999 562 V HN 0.639 nan 8.190 nan 0.000 0.447 563 P HA 0.138 nan 4.420 nan 0.000 0.271 563 P C 0.135 177.344 177.300 -0.152 0.000 1.226 563 P CA 0.162 63.049 63.100 -0.355 0.000 0.765 563 P CB 1.142 32.449 31.700 -0.656 0.000 0.835 564 I N -0.225 120.309 120.570 -0.059 0.000 4.147 564 I HA 0.511 4.681 4.170 -0.000 0.000 0.329 564 I C -0.071 176.037 176.117 -0.016 0.000 1.424 564 I CA -0.133 61.157 61.300 -0.016 0.000 1.127 564 I CB 0.371 38.393 38.000 0.037 0.000 1.128 564 I HN 0.289 nan 8.210 nan 0.000 0.417 565 E N 1.175 121.368 120.200 -0.012 0.000 2.478 565 E HA 0.471 4.821 4.350 -0.000 0.000 0.293 565 E C -2.206 174.423 176.600 0.048 0.000 1.011 565 E CA -0.707 55.702 56.400 0.015 0.000 0.834 565 E CB 1.917 31.629 29.700 0.021 0.000 1.226 565 E HN 0.196 nan 8.360 nan 0.000 0.419 566 L N 3.987 125.251 121.223 0.068 0.000 2.595 566 L HA 0.374 4.714 4.340 -0.000 0.000 0.259 566 L C -1.587 175.362 176.870 0.133 0.000 1.033 566 L CA -0.200 54.706 54.840 0.109 0.000 0.901 566 L CB 1.194 43.305 42.059 0.087 0.000 1.151 566 L HN 0.458 nan 8.230 nan 0.000 0.453 567 Q N 1.582 121.498 119.800 0.192 0.000 2.193 567 Q HA 0.773 5.113 4.340 -0.000 0.000 0.246 567 Q C -1.004 175.155 176.000 0.265 0.000 0.959 567 Q CA -0.456 55.484 55.803 0.229 0.000 0.904 567 Q CB 2.972 31.870 28.738 0.268 0.000 1.238 567 Q HN 0.470 nan 8.270 nan 0.000 0.469 568 V N 0.031 120.108 119.914 0.273 0.000 3.216 568 V HA 0.537 4.657 4.120 -0.000 0.000 0.302 568 V C -1.942 174.331 176.094 0.298 0.000 1.286 568 V CA -0.598 61.863 62.300 0.269 0.000 1.048 568 V CB 2.617 34.615 31.823 0.292 0.000 1.081 568 V HN 0.961 nan 8.190 nan 0.000 0.442 569 E N 3.059 123.431 120.200 0.286 0.000 2.397 569 E HA 0.624 4.974 4.350 -0.000 0.000 0.293 569 E C -1.574 175.212 176.600 0.309 0.000 0.930 569 E CA -0.725 55.868 56.400 0.322 0.000 0.793 569 E CB 1.201 31.136 29.700 0.391 0.000 1.259 569 E HN 0.606 nan 8.360 nan 0.000 0.406 570 c N 1.876 120.642 118.600 0.277 0.000 3.028 570 c HA 0.944 5.514 4.570 -0.000 0.000 0.338 570 c C -1.164 173.139 174.090 0.356 0.000 1.366 570 c CA -0.771 55.658 56.329 0.167 0.000 1.610 570 c CB 0.560 43.038 42.510 -0.054 0.000 2.063 570 c HN 0.881 nan 8.230 nan 0.000 0.463 571 F N -1.722 118.326 119.950 0.164 0.000 2.714 571 F HA 0.483 5.010 4.527 0.000 0.000 0.313 571 F C -0.561 175.385 175.800 0.243 0.000 1.104 571 F CA -0.809 57.297 58.000 0.178 0.000 1.005 571 F CB -0.140 38.973 39.000 0.188 0.000 1.268 571 F HN 0.510 nan 8.300 nan 0.000 0.449 572 T N 0.286 114.972 114.554 0.221 0.000 2.780 572 T HA 0.372 4.722 4.350 -0.000 0.000 0.294 572 T C -1.400 173.558 174.700 0.429 0.000 0.949 572 T CA -0.118 62.113 62.100 0.218 0.000 1.074 572 T CB 1.076 70.026 68.868 0.136 0.000 0.910 572 T HN 0.796 nan 8.240 nan 0.000 0.501 573 W N 4.141 125.607 121.300 0.276 0.000 2.687 573 W HA 0.425 5.085 4.660 -0.000 0.000 0.328 573 W C -1.023 175.605 176.519 0.183 0.000 1.012 573 W CA -0.458 57.004 57.345 0.195 0.000 1.262 573 W CB 0.776 30.282 29.460 0.076 0.000 1.331 573 W HN 0.846 nan 8.180 nan 0.000 0.433 574 D N 5.078 125.263 120.400 -0.358 0.000 3.763 574 D HA -0.271 4.369 4.640 -0.000 0.000 0.232 574 D C 0.787 177.047 176.300 -0.066 0.000 1.108 574 D CA 2.058 55.815 54.000 -0.405 0.000 1.117 574 D CB -0.379 39.885 40.800 -0.894 0.000 0.846 574 D HN 0.880 nan 8.370 nan 0.000 0.405 575 Q N -1.338 118.436 119.800 -0.043 0.000 2.222 575 Q HA -0.312 4.028 4.340 -0.000 0.000 0.207 575 Q C 0.021 176.026 176.000 0.007 0.000 0.743 575 Q CA 1.924 57.718 55.803 -0.015 0.000 1.425 575 Q CB -0.640 28.073 28.738 -0.041 0.000 1.853 575 Q HN 0.643 nan 8.270 nan 0.000 0.628 576 K N 0.361 120.824 120.400 0.104 0.000 2.328 576 K HA 0.570 4.890 4.320 -0.000 0.000 0.246 576 K C -1.027 175.602 176.600 0.048 0.000 0.955 576 K CA -0.839 55.453 56.287 0.009 0.000 0.817 576 K CB 1.686 34.188 32.500 0.004 0.000 1.208 576 K HN 0.010 nan 8.250 nan 0.000 0.432 577 L N 3.104 124.204 121.223 -0.205 0.000 2.265 577 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 577 L C -1.659 174.945 176.870 -0.443 0.000 1.033 577 L CA -0.375 54.350 54.840 -0.190 0.000 0.814 577 L CB 0.258 42.211 42.059 -0.176 0.000 1.203 577 L HN 0.642 nan 8.230 nan 0.000 0.423 578 W N 4.937 125.897 121.300 -0.566 0.000 2.469 578 W HA 0.570 5.230 4.660 0.000 0.000 0.320 578 W C -0.260 175.812 176.519 -0.745 0.000 1.086 578 W CA -0.197 56.710 57.345 -0.731 0.000 1.211 578 W CB 1.653 30.542 29.460 -0.952 0.000 1.298 578 W HN 0.473 nan 8.180 nan 0.000 0.525 579 c N 2.301 120.734 118.600 -0.279 0.000 2.994 579 c HA 0.809 5.379 4.570 -0.000 0.000 0.304 579 c C -0.474 173.650 174.090 0.056 0.000 1.273 579 c CA -1.238 54.986 56.329 -0.176 0.000 1.537 579 c CB 2.295 44.446 42.510 -0.599 0.000 2.001 579 c HN 0.697 nan 8.230 nan 0.000 0.471 580 R N 1.564 122.114 120.500 0.083 0.000 2.510 580 R HA 0.435 4.775 4.340 -0.000 0.000 0.287 580 R C -0.954 175.187 176.300 -0.265 0.000 1.084 580 R CA -0.199 55.843 56.100 -0.098 0.000 0.934 580 R CB 0.770 30.892 30.300 -0.297 0.000 1.201 580 R HN 1.064 nan 8.270 nan 0.000 0.431 581 H N 2.853 121.739 119.070 -0.308 0.000 2.483 581 H HA 0.376 4.932 4.556 -0.000 0.000 0.338 581 H C -1.301 173.645 175.328 -0.636 0.000 1.152 581 H CA -0.681 55.172 56.048 -0.325 0.000 1.264 581 H CB 1.228 30.878 29.762 -0.188 0.000 1.510 581 H HN 0.441 nan 8.280 nan 0.000 0.530 582 F N 1.604 121.531 119.950 -0.039 0.000 2.532 582 F HA 0.267 4.794 4.527 0.000 0.000 0.365 582 F C -0.028 175.803 175.800 0.053 0.000 1.112 582 F CA -0.808 57.144 58.000 -0.080 0.000 1.082 582 F CB 1.190 40.163 39.000 -0.044 0.000 1.319 582 F HN 0.533 nan 8.300 nan 0.000 0.457 583 C N 3.843 123.283 119.300 0.232 0.000 2.391 583 C HA 0.914 5.374 4.460 -0.000 0.000 0.339 583 C C -0.487 174.604 174.990 0.169 0.000 1.205 583 C CA -0.364 58.793 59.018 0.232 0.000 1.937 583 C CB 0.933 28.853 27.740 0.299 0.000 2.341 583 C HN 0.571 nan 8.230 nan 0.000 0.516 584 V N 6.023 126.004 119.914 0.112 0.000 2.531 584 V HA 0.647 4.767 4.120 -0.000 0.000 0.301 584 V C -0.994 175.139 176.094 0.064 0.000 1.034 584 V CA -0.376 61.980 62.300 0.093 0.000 0.865 584 V CB 1.394 33.253 31.823 0.061 0.000 0.995 584 V HN 0.811 nan 8.190 nan 0.000 0.424 585 L N 2.758 124.034 121.223 0.088 0.000 2.505 585 L HA 0.979 5.318 4.340 -0.000 0.000 0.266 585 L C -0.155 176.733 176.870 0.029 0.000 0.954 585 L CA -1.058 53.800 54.840 0.029 0.000 0.852 585 L CB 1.441 43.456 42.059 -0.074 0.000 1.282 585 L HN 0.613 nan 8.230 nan 0.000 0.403 586 A N 1.510 124.315 122.820 -0.024 0.000 2.454 586 A HA 0.696 5.016 4.320 -0.000 0.000 0.260 586 A C -0.241 177.259 177.584 -0.139 0.000 1.106 586 A CA 0.471 52.370 52.037 -0.231 0.000 0.780 586 A CB 0.130 18.907 19.000 -0.372 0.000 1.044 586 A HN 0.907 nan 8.150 nan 0.000 0.498 593 H N 0.426 119.494 119.070 -0.002 0.000 2.661 593 H HA 0.416 4.972 4.556 -0.000 0.000 0.243 593 H C -0.847 174.490 175.328 0.015 0.000 1.410 593 H CA -0.388 55.662 56.048 0.002 0.000 1.509 593 H CB 0.783 30.545 29.762 -0.000 0.000 1.761 593 H HN 0.305 nan 8.280 nan 0.000 0.576 594 I N 1.240 121.877 120.570 0.112 0.000 2.764 594 I HA 0.128 4.298 4.170 -0.000 0.000 0.294 594 I C -0.017 176.173 176.117 0.121 0.000 1.045 594 I CA 0.210 61.569 61.300 0.099 0.000 1.340 594 I CB 0.950 38.995 38.000 0.074 0.000 1.436 594 I HN 0.248 nan 8.210 nan 0.000 0.567 595 T N 4.690 119.317 114.554 0.122 0.000 2.892 595 T HA 0.219 4.569 4.350 -0.000 0.000 0.311 595 T C -0.763 174.023 174.700 0.144 0.000 1.033 595 T CA -0.273 61.908 62.100 0.134 0.000 0.991 595 T CB -0.101 68.837 68.868 0.117 0.000 0.981 595 T HN 0.406 nan 8.240 nan 0.000 0.457 596 H N 2.193 121.296 119.070 0.056 0.000 2.488 596 H HA 0.691 5.247 4.556 -0.000 0.000 0.322 596 H C -0.873 174.401 175.328 -0.090 0.000 1.078 596 H CA -0.140 55.919 56.048 0.017 0.000 1.260 596 H CB 1.557 31.348 29.762 0.048 0.000 1.425 596 H HN 0.573 nan 8.280 nan 0.000 0.471 597 S N 2.867 118.303 115.700 -0.439 0.000 2.632 597 S HA 0.846 5.316 4.470 -0.000 0.000 0.289 597 S C -0.769 173.390 174.600 -0.734 0.000 1.115 597 S CA 0.025 57.817 58.200 -0.680 0.000 0.889 597 S CB 1.776 64.759 63.200 -0.362 0.000 1.116 597 S HN 1.045 nan 8.310 nan 0.000 0.486 598 G N 1.384 109.744 108.800 -0.732 0.000 2.579 598 G HA2 0.517 4.477 3.960 -0.000 0.000 0.292 598 G HA3 0.517 4.477 3.960 -0.000 0.000 0.292 598 G C -1.825 173.132 174.900 0.094 0.000 1.484 598 G CA -0.647 44.357 45.100 -0.160 0.000 0.813 598 G HN 0.782 nan 8.290 nan 0.000 0.515 599 M N 1.842 121.631 119.600 0.315 0.000 2.321 599 M HA 0.753 5.233 4.480 -0.000 0.000 0.315 599 M C -1.500 175.086 176.300 0.477 0.000 1.052 599 M CA -0.992 54.506 55.300 0.331 0.000 0.936 599 M CB 2.044 34.743 32.600 0.166 0.000 1.639 599 M HN 0.682 nan 8.290 nan 0.000 0.433 600 V N 3.793 123.875 119.914 0.280 0.000 2.876 600 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 600 V C -0.598 174.992 176.094 -0.841 0.000 1.085 600 V CA -0.266 61.902 62.300 -0.220 0.000 0.945 600 V CB 2.276 33.992 31.823 -0.177 0.000 1.017 600 V HN 0.954 nan 8.190 nan 0.000 0.428 601 G N 5.577 113.501 108.800 -1.460 0.000 2.522 601 G HA2 0.550 4.510 3.960 -0.000 0.000 0.318 601 G HA3 0.550 4.510 3.960 -0.000 0.000 0.318 601 G C -0.600 173.557 174.900 -1.239 0.000 1.192 601 G CA -0.660 43.184 45.100 -2.094 0.000 0.988 601 G HN 0.681 nan 8.290 nan 0.000 0.480 602 M N 2.704 121.701 119.600 -1.005 0.000 2.108 602 M HA 0.388 4.868 4.480 -0.000 0.000 0.347 602 M C 0.651 176.588 176.300 -0.604 0.000 1.326 602 M CA -0.123 54.700 55.300 -0.793 0.000 1.126 602 M CB 1.583 33.827 32.600 -0.593 0.000 1.606 602 M HN 0.450 nan 8.290 nan 0.000 0.462 603 G N 2.776 111.233 108.800 -0.571 0.000 2.470 603 G HA2 0.626 4.586 3.960 -0.000 0.000 0.320 603 G HA3 0.626 4.586 3.960 -0.000 0.000 0.320 603 G C -0.738 173.880 174.900 -0.469 0.000 1.245 603 G CA -0.632 44.210 45.100 -0.431 0.000 0.935 603 G HN 0.664 nan 8.290 nan 0.000 0.476 604 V N 0.766 120.396 119.914 -0.472 0.000 2.713 604 V HA 0.963 5.083 4.120 -0.000 0.000 0.307 604 V C 0.087 176.008 176.094 -0.288 0.000 1.052 604 V CA -0.175 61.806 62.300 -0.532 0.000 0.967 604 V CB 1.151 32.467 31.823 -0.844 0.000 1.019 604 V HN 1.498 nan 8.190 nan 0.000 0.459 605 S N 2.167 117.722 115.700 -0.243 0.000 2.627 605 S HA 0.574 5.044 4.470 -0.000 0.000 0.268 605 S C -0.633 173.910 174.600 -0.094 0.000 1.130 605 S CA -0.602 57.533 58.200 -0.108 0.000 0.819 605 S CB 0.691 63.827 63.200 -0.106 0.000 1.100 605 S HN 1.178 nan 8.310 nan 0.000 0.465 606 C N 0.000 119.276 119.300 -0.040 0.000 2.653 606 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 606 C CA 0.000 58.996 59.018 -0.037 0.000 1.963 606 C CB 0.000 27.744 27.740 0.007 0.000 2.134 606 C HN 0.000 nan 8.230 nan 0.000 0.568