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 3d0q_1_B DATA FIRST_RESID -2 DATA SEQUENCE HXRVLFVSSP GIGHLFPLIQ LAWGFRTAGH DVLIAVAEHA DRAAAAGLEV DATA SEQUENCE VDVAPDYSAV KVFEQVAKDN PRFAETVATR PAIDLEEWGV QIAAVNRPLV DATA SEQUENCE DGTXALVDDY RPDLVVYEQG ATVGLLAADR AGVPAVQRNQ SAWRTRGXHR DATA SEQUENCE SIASFLTDLX DKHQVSLPEP VATIESFPPS LLLEAEPEGW FXRWVPYGGG DATA SEQUENCE AVLGDRLPPV PARPEVAITX GTIELQAFGI GAVEPIIAAA GEVDADFVLA DATA SEQUENCE LGDLDISPLG TLPRNVRAVG WTPLHTLLRT CTAVVHHGGG GTVXTAIDAG DATA SEQUENCE IPQLLAPDPR DQFQHTAREA VSRRGIGLVS TSDKVDADLL RRLIGDESLR DATA SEQUENCE TAAREVREEX VALPTPAETV RRIVERI 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 -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.473 175.328 0.242 0.000 0.993 -2 H CA 0.000 56.198 56.048 0.250 0.000 1.023 -2 H CB 0.000 29.828 29.762 0.111 0.000 1.292 1 V N 4.056 124.009 119.914 0.065 0.000 2.459 1 V HA 0.536 4.653 4.120 -0.005 0.000 0.295 1 V C -0.632 175.584 176.094 0.205 0.000 1.029 1 V CA -0.877 61.404 62.300 -0.031 0.000 0.874 1 V CB 1.788 33.406 31.823 -0.343 0.000 0.985 1 V HN 0.492 nan 8.190 nan 0.000 0.438 2 L N 5.029 126.303 121.223 0.084 0.000 2.341 2 L HA 0.669 5.006 4.340 -0.005 0.000 0.278 2 L C -1.166 175.668 176.870 -0.060 0.000 1.005 2 L CA -0.044 54.856 54.840 0.100 0.000 0.818 2 L CB 1.257 43.378 42.059 0.103 0.000 1.259 2 L HN 0.479 nan 8.230 nan 0.000 0.418 3 F N 4.722 124.622 119.950 -0.084 0.000 2.411 3 F HA 0.606 5.130 4.527 -0.005 0.000 0.352 3 F C -0.218 175.550 175.800 -0.053 0.000 1.123 3 F CA -0.659 57.302 58.000 -0.065 0.000 1.044 3 F CB 1.884 40.844 39.000 -0.066 0.000 1.135 3 F HN 0.144 nan 8.300 nan 0.000 0.461 4 V N 2.707 122.657 119.914 0.059 0.000 2.409 4 V HA 0.502 4.619 4.120 -0.005 0.000 0.291 4 V C -0.475 175.648 176.094 0.048 0.000 1.020 4 V CA -0.644 61.677 62.300 0.036 0.000 0.848 4 V CB 1.572 33.392 31.823 -0.007 0.000 0.990 4 V HN 0.703 nan 8.190 nan 0.000 0.430 5 S N 3.420 119.132 115.700 0.021 0.000 2.647 5 S HA 0.604 5.071 4.470 -0.005 0.000 0.300 5 S C -0.063 174.517 174.600 -0.033 0.000 1.129 5 S CA -0.410 57.793 58.200 0.005 0.000 1.029 5 S CB 1.399 64.623 63.200 0.041 0.000 1.007 5 S HN 1.050 nan 8.310 nan 0.000 0.484 6 S N 4.984 120.646 115.700 -0.063 0.000 2.632 6 S HA 0.672 5.139 4.470 -0.005 0.000 0.271 6 S C -2.892 171.736 174.600 0.045 0.000 1.260 6 S CA -1.294 56.867 58.200 -0.065 0.000 1.010 6 S CB 0.382 63.533 63.200 -0.081 0.000 0.965 6 S HN 0.518 nan 8.310 nan 0.000 0.534 7 P HA 0.463 nan 4.420 nan 0.000 0.267 7 P C 0.198 177.467 177.300 -0.051 0.000 1.200 7 P CA 0.674 63.666 63.100 -0.180 0.000 0.772 7 P CB 0.177 31.575 31.700 -0.504 0.000 0.855 8 G N 2.060 110.705 108.800 -0.257 0.000 2.306 8 G HA2 0.073 4.030 3.960 -0.005 0.000 0.340 8 G HA3 0.073 4.030 3.960 -0.005 0.000 0.340 8 G C -1.158 173.318 174.900 -0.708 0.000 1.630 8 G CA -0.971 43.764 45.100 -0.610 0.000 0.937 8 G HN 0.350 nan 8.290 nan 0.000 0.693 9 I N 1.539 121.829 120.570 -0.467 0.000 2.821 9 I HA 0.243 4.410 4.170 -0.005 0.000 0.294 9 I C 1.841 177.789 176.117 -0.282 0.000 1.210 9 I CA 2.240 63.372 61.300 -0.280 0.000 1.430 9 I CB -0.058 37.856 38.000 -0.143 0.000 1.356 9 I HN 2.110 nan 8.210 nan 0.000 0.563 10 G N 4.998 113.716 108.800 -0.137 0.000 2.179 10 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.260 10 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.260 10 G C 0.960 175.926 174.900 0.110 0.000 0.977 10 G CA 0.598 45.709 45.100 0.019 0.000 0.641 10 G HN 0.813 nan 8.290 nan 0.000 0.533 11 H N -1.146 117.906 119.070 -0.030 0.000 2.395 11 H HA 0.151 4.704 4.556 -0.005 0.000 0.299 11 H C 2.609 177.945 175.328 0.014 0.000 1.070 11 H CA 1.137 57.175 56.048 -0.017 0.000 1.356 11 H CB 0.162 29.889 29.762 -0.059 0.000 1.401 11 H HN 0.359 nan 8.280 nan 0.000 0.524 12 L N 0.015 121.298 121.223 0.100 0.000 2.022 12 L HA -0.092 4.245 4.340 -0.005 0.000 0.204 12 L C 1.747 178.733 176.870 0.195 0.000 1.076 12 L CA 1.334 56.223 54.840 0.081 0.000 0.749 12 L CB -0.750 41.293 42.059 -0.027 0.000 0.903 12 L HN 0.058 nan 8.230 nan 0.000 0.439 13 F N 0.731 120.750 119.950 0.115 0.000 2.147 13 F HA -0.124 4.400 4.527 -0.005 0.000 0.301 13 F C -0.422 175.405 175.800 0.046 0.000 1.084 13 F CA 1.149 59.223 58.000 0.124 0.000 1.268 13 F CB -2.652 36.490 39.000 0.237 0.000 1.009 13 F HN 0.266 nan 8.300 nan 0.000 0.486 14 P HA -0.030 nan 4.420 nan 0.000 0.242 14 P C 1.529 178.890 177.300 0.101 0.000 1.197 14 P CA 0.954 64.182 63.100 0.213 0.000 0.765 14 P CB -0.267 31.672 31.700 0.398 0.000 0.936 15 L N -1.629 119.644 121.223 0.084 0.000 2.416 15 L HA 0.012 4.349 4.340 -0.005 0.000 0.216 15 L C 2.035 178.819 176.870 -0.143 0.000 1.098 15 L CA 0.228 55.127 54.840 0.098 0.000 0.840 15 L CB -0.476 41.712 42.059 0.214 0.000 0.981 15 L HN -0.102 nan 8.230 nan 0.000 0.462 16 I N 0.191 120.548 120.570 -0.356 0.000 2.099 16 I HA -0.289 3.879 4.170 -0.005 0.000 0.239 16 I C 2.640 178.226 176.117 -0.885 0.000 1.066 16 I CA 1.525 62.344 61.300 -0.801 0.000 1.324 16 I CB -1.219 36.028 38.000 -1.254 0.000 1.037 16 I HN 0.379 nan 8.210 nan 0.000 0.401 17 Q N 0.344 119.737 119.800 -0.678 0.000 2.152 17 Q HA -0.178 4.159 4.340 -0.005 0.000 0.206 17 Q C 2.434 178.367 176.000 -0.111 0.000 0.985 17 Q CA 1.379 56.953 55.803 -0.381 0.000 0.863 17 Q CB -0.537 28.043 28.738 -0.264 0.000 0.904 17 Q HN 0.543 nan 8.270 nan 0.000 0.422 18 L N -0.141 121.069 121.223 -0.022 0.000 2.109 18 L HA -0.118 4.219 4.340 -0.005 0.000 0.207 18 L C 2.459 179.516 176.870 0.311 0.000 1.086 18 L CA 0.886 55.878 54.840 0.253 0.000 0.760 18 L CB -0.567 41.772 42.059 0.467 0.000 0.910 18 L HN 0.142 nan 8.230 nan 0.000 0.437 19 A N -0.461 122.219 122.820 -0.234 0.000 1.877 19 A HA -0.222 4.095 4.320 -0.005 0.000 0.216 19 A C 1.912 179.517 177.584 0.036 0.000 1.186 19 A CA 1.337 53.047 52.037 -0.546 0.000 0.620 19 A CB -0.801 17.557 19.000 -1.070 0.000 0.822 19 A HN 0.476 nan 8.150 nan 0.000 0.443 20 W N -0.080 121.137 121.300 -0.137 0.000 2.363 20 W HA -0.005 4.651 4.660 -0.006 0.000 0.296 20 W C 2.530 179.045 176.519 -0.006 0.000 1.212 20 W CA 0.489 57.788 57.345 -0.077 0.000 1.260 20 W CB -1.493 27.896 29.460 -0.118 0.000 1.131 20 W HN 0.394 nan 8.180 nan 0.000 0.530 21 G N -0.446 108.505 108.800 0.252 0.000 2.440 21 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.218 21 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.218 21 G C 1.478 176.425 174.900 0.079 0.000 1.154 21 G CA 0.854 46.020 45.100 0.111 0.000 0.767 21 G HN 0.154 nan 8.290 nan 0.000 0.552 22 F N 0.379 120.446 119.950 0.195 0.000 2.163 22 F HA 0.126 4.650 4.527 -0.005 0.000 0.297 22 F C 2.725 178.654 175.800 0.215 0.000 1.094 22 F CA 1.261 59.414 58.000 0.255 0.000 1.290 22 F CB -0.095 39.075 39.000 0.284 0.000 1.017 22 F HN 0.016 nan 8.300 nan 0.000 0.483 23 R N 0.691 121.386 120.500 0.326 0.000 2.081 23 R HA -0.131 4.206 4.340 -0.005 0.000 0.235 23 R C 2.140 178.496 176.300 0.093 0.000 1.131 23 R CA 2.182 58.397 56.100 0.191 0.000 0.960 23 R CB -1.242 29.148 30.300 0.149 0.000 0.856 23 R HN 0.331 nan 8.270 nan 0.000 0.436 24 T N -2.797 111.800 114.554 0.071 0.000 3.072 24 T HA 0.118 4.465 4.350 -0.005 0.000 0.266 24 T C 1.591 176.286 174.700 -0.009 0.000 1.127 24 T CA 0.705 62.810 62.100 0.007 0.000 1.107 24 T CB -0.068 68.793 68.868 -0.012 0.000 0.910 24 T HN 0.222 nan 8.240 nan 0.000 0.513 25 A N 0.542 123.365 122.820 0.006 0.000 2.251 25 A HA 0.638 4.955 4.320 -0.005 0.000 0.209 25 A C 1.985 179.434 177.584 -0.226 0.000 1.187 25 A CA 0.422 52.424 52.037 -0.058 0.000 0.823 25 A CB -0.868 18.140 19.000 0.014 0.000 0.846 25 A HN 1.212 nan 8.150 nan 0.000 0.486 26 G N -1.360 107.348 108.800 -0.155 0.000 2.176 26 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.232 26 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.232 26 G C 0.134 174.914 174.900 -0.199 0.000 0.986 26 G CA 0.154 45.159 45.100 -0.159 0.000 0.643 26 G HN 0.641 nan 8.290 nan 0.000 0.522 27 H N 0.916 120.011 119.070 0.042 0.000 2.546 27 H HA 0.387 4.940 4.556 -0.005 0.000 0.365 27 H C -0.301 175.024 175.328 -0.006 0.000 1.220 27 H CA -0.125 55.856 56.048 -0.112 0.000 1.386 27 H CB 0.693 30.496 29.762 0.069 0.000 1.510 27 H HN 0.159 nan 8.280 nan 0.000 0.591 28 D N 1.156 121.603 120.400 0.078 0.000 2.304 28 D HA 0.201 4.838 4.640 -0.005 0.000 0.250 28 D C -0.389 176.057 176.300 0.243 0.000 1.107 28 D CA -0.160 53.955 54.000 0.191 0.000 0.885 28 D CB 1.514 42.453 40.800 0.232 0.000 1.192 28 D HN 0.074 nan 8.370 nan 0.000 0.436 29 V N 3.650 123.697 119.914 0.223 0.000 2.588 29 V HA 0.443 4.560 4.120 -0.005 0.000 0.304 29 V C -0.481 175.667 176.094 0.092 0.000 1.042 29 V CA -0.800 61.610 62.300 0.184 0.000 0.877 29 V CB 2.046 33.938 31.823 0.115 0.000 0.996 29 V HN 0.313 nan 8.190 nan 0.000 0.425 30 L N 6.051 127.294 121.223 0.033 0.000 2.431 30 L HA 0.698 5.035 4.340 -0.005 0.000 0.266 30 L C -1.088 175.746 176.870 -0.060 0.000 0.978 30 L CA -0.213 54.533 54.840 -0.156 0.000 0.822 30 L CB 2.001 43.695 42.059 -0.607 0.000 1.310 30 L HN 0.468 nan 8.230 nan 0.000 0.409 31 I N 3.761 124.290 120.570 -0.068 0.000 2.377 31 I HA 0.649 4.816 4.170 -0.005 0.000 0.293 31 I C 0.057 176.150 176.117 -0.040 0.000 0.987 31 I CA -0.709 60.587 61.300 -0.005 0.000 1.185 31 I CB 1.362 39.346 38.000 -0.027 0.000 1.341 31 I HN 0.763 nan 8.210 nan 0.000 0.455 32 A N 6.900 129.709 122.820 -0.018 0.000 2.271 32 A HA 0.750 5.067 4.320 -0.005 0.000 0.317 32 A C -0.164 177.401 177.584 -0.031 0.000 1.245 32 A CA -0.429 51.583 52.037 -0.043 0.000 0.857 32 A CB 1.157 20.124 19.000 -0.055 0.000 1.175 32 A HN 0.685 nan 8.150 nan 0.000 0.512 33 V N -1.264 118.623 119.914 -0.046 0.000 3.119 33 V HA 0.971 5.088 4.120 -0.005 0.000 0.311 33 V C 0.215 176.248 176.094 -0.101 0.000 1.259 33 V CA -0.120 62.142 62.300 -0.063 0.000 1.067 33 V CB 1.593 33.390 31.823 -0.044 0.000 1.123 33 V HN 1.544 nan 8.190 nan 0.000 0.463 34 A N 0.171 122.891 122.820 -0.166 0.000 2.704 34 A HA 0.606 4.923 4.320 -0.005 0.000 0.260 34 A C 0.177 177.588 177.584 -0.287 0.000 1.144 34 A CA 0.543 52.446 52.037 -0.223 0.000 0.985 34 A CB -0.152 18.659 19.000 -0.315 0.000 1.256 34 A HN 1.208 nan 8.150 nan 0.000 0.598 35 E N -1.339 118.704 120.200 -0.261 0.000 2.392 35 E HA 0.486 4.833 4.350 -0.005 0.000 0.279 35 E C -0.889 175.591 176.600 -0.200 0.000 0.964 35 E CA -1.002 55.206 56.400 -0.321 0.000 0.777 35 E CB 0.588 29.997 29.700 -0.486 0.000 1.249 35 E HN 0.136 nan 8.360 nan 0.000 0.449 36 H N 0.204 119.231 119.070 -0.072 0.000 2.756 36 H HA -0.182 4.371 4.556 -0.005 0.000 0.315 36 H C 0.790 176.094 175.328 -0.039 0.000 1.210 36 H CA 0.705 56.717 56.048 -0.061 0.000 1.150 36 H CB -1.752 27.951 29.762 -0.097 0.000 1.463 36 H HN 0.753 nan 8.280 nan 0.000 0.427 37 A N 0.678 123.529 122.820 0.052 0.000 1.898 37 A HA -0.191 4.126 4.320 -0.005 0.000 0.216 37 A C 2.320 179.936 177.584 0.054 0.000 1.181 37 A CA 1.619 53.676 52.037 0.033 0.000 0.620 37 A CB -0.077 18.926 19.000 0.006 0.000 0.819 37 A HN 0.608 nan 8.150 nan 0.000 0.442 38 D N -0.101 120.336 120.400 0.062 0.000 2.182 38 D HA -0.228 4.409 4.640 -0.005 0.000 0.201 38 D C 1.865 178.214 176.300 0.081 0.000 0.986 38 D CA 1.456 55.493 54.000 0.062 0.000 0.847 38 D CB -0.546 40.286 40.800 0.052 0.000 0.942 38 D HN 0.483 nan 8.370 nan 0.000 0.467 39 R N 0.306 120.864 120.500 0.097 0.000 2.075 39 R HA 0.083 4.420 4.340 -0.005 0.000 0.232 39 R C 2.584 178.999 176.300 0.192 0.000 1.126 39 R CA 1.424 57.606 56.100 0.136 0.000 0.963 39 R CB -0.313 30.035 30.300 0.081 0.000 0.858 39 R HN 0.287 nan 8.270 nan 0.000 0.435 40 A N 0.742 123.643 122.820 0.134 0.000 1.969 40 A HA -0.073 4.244 4.320 -0.005 0.000 0.218 40 A C 2.275 179.908 177.584 0.082 0.000 1.169 40 A CA 1.554 53.650 52.037 0.098 0.000 0.635 40 A CB -0.548 18.479 19.000 0.045 0.000 0.810 40 A HN 0.403 nan 8.150 nan 0.000 0.445 41 A N -0.051 122.816 122.820 0.078 0.000 1.898 41 A HA 0.205 4.522 4.320 -0.005 0.000 0.216 41 A C 2.344 179.990 177.584 0.103 0.000 1.181 41 A CA 1.741 53.821 52.037 0.073 0.000 0.620 41 A CB -0.886 18.148 19.000 0.057 0.000 0.819 41 A HN 1.097 nan 8.150 nan 0.000 0.442 42 A N -0.783 122.113 122.820 0.126 0.000 2.248 42 A HA 0.381 4.698 4.320 -0.005 0.000 0.210 42 A C 1.797 179.516 177.584 0.224 0.000 1.174 42 A CA 1.245 53.373 52.037 0.153 0.000 0.750 42 A CB -0.585 18.501 19.000 0.143 0.000 0.780 42 A HN 1.014 nan 8.150 nan 0.000 0.478 43 A N -1.623 121.333 122.820 0.227 0.000 2.423 43 A HA 0.467 4.784 4.320 -0.005 0.000 0.246 43 A C 1.514 179.309 177.584 0.352 0.000 1.278 43 A CA 0.802 53.015 52.037 0.292 0.000 0.903 43 A CB -0.822 18.196 19.000 0.030 0.000 0.997 43 A HN 1.726 nan 8.150 nan 0.000 0.510 44 G N -0.850 108.076 108.800 0.209 0.000 2.147 44 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.244 44 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.244 44 G C -0.030 174.942 174.900 0.120 0.000 1.005 44 G CA 0.511 45.695 45.100 0.140 0.000 0.713 44 G HN 0.473 nan 8.290 nan 0.000 0.515 45 L N -0.622 120.664 121.223 0.106 0.000 2.332 45 L HA 0.685 5.022 4.340 -0.005 0.000 0.269 45 L C 0.468 177.354 176.870 0.027 0.000 1.016 45 L CA -1.138 53.736 54.840 0.057 0.000 0.809 45 L CB 1.321 43.383 42.059 0.006 0.000 1.280 45 L HN 0.102 nan 8.230 nan 0.000 0.447 46 E N 0.612 120.816 120.200 0.007 0.000 2.227 46 E HA 0.459 4.806 4.350 -0.005 0.000 0.282 46 E C -1.283 175.295 176.600 -0.037 0.000 1.015 46 E CA -0.387 56.007 56.400 -0.009 0.000 0.823 46 E CB 1.743 31.438 29.700 -0.009 0.000 1.081 46 E HN 0.204 nan 8.360 nan 0.000 0.396 47 V N 2.653 122.549 119.914 -0.030 0.000 2.735 47 V HA 0.448 4.565 4.120 -0.005 0.000 0.310 47 V C -0.452 175.615 176.094 -0.045 0.000 1.061 47 V CA -1.044 61.233 62.300 -0.038 0.000 0.913 47 V CB 1.824 33.638 31.823 -0.014 0.000 1.005 47 V HN 0.361 nan 8.190 nan 0.000 0.428 48 V N 1.854 121.731 119.914 -0.061 0.000 2.495 48 V HA 0.428 4.545 4.120 -0.005 0.000 0.298 48 V C -0.519 175.547 176.094 -0.046 0.000 1.031 48 V CA -0.436 61.831 62.300 -0.054 0.000 0.871 48 V CB 1.897 33.676 31.823 -0.073 0.000 0.988 48 V HN 0.957 nan 8.190 nan 0.000 0.432 49 D N 3.465 123.844 120.400 -0.035 0.000 2.393 49 D HA 0.152 4.789 4.640 -0.005 0.000 0.232 49 D C 0.905 177.185 176.300 -0.034 0.000 1.192 49 D CA -0.276 53.702 54.000 -0.036 0.000 0.882 49 D CB 1.640 42.423 40.800 -0.027 0.000 1.038 49 D HN 0.434 nan 8.370 nan 0.000 0.499 50 V N 1.958 121.846 119.914 -0.043 0.000 3.573 50 V HA 0.433 4.550 4.120 -0.005 0.000 0.270 50 V C 0.690 176.773 176.094 -0.019 0.000 1.221 50 V CA 0.530 62.808 62.300 -0.036 0.000 1.163 50 V CB -0.805 30.989 31.823 -0.048 0.000 0.847 50 V HN 0.558 nan 8.190 nan 0.000 0.468 51 A N 0.458 123.271 122.820 -0.012 0.000 3.158 51 A HA 0.697 5.014 4.320 -0.005 0.000 0.302 51 A C -1.880 175.728 177.584 0.040 0.000 1.162 51 A CA -0.582 51.471 52.037 0.027 0.000 0.824 51 A CB 0.701 19.742 19.000 0.067 0.000 1.322 51 A HN 0.270 nan 8.150 nan 0.000 0.510 52 P HA -0.038 nan 4.420 nan 0.000 0.225 52 P C 0.168 177.492 177.300 0.040 0.000 1.148 52 P CA 1.280 64.393 63.100 0.022 0.000 0.779 52 P CB 0.303 32.010 31.700 0.012 0.000 0.780 53 D N -2.223 118.207 120.400 0.050 0.000 2.427 53 D HA 0.047 4.684 4.640 -0.005 0.000 0.224 53 D C -0.024 176.309 176.300 0.055 0.000 1.157 53 D CA -0.457 53.566 54.000 0.039 0.000 0.828 53 D CB -0.861 39.949 40.800 0.017 0.000 0.974 53 D HN 0.167 nan 8.370 nan 0.000 0.498 54 Y N 1.329 121.605 120.300 -0.040 0.000 2.511 54 Y HA 0.231 4.778 4.550 -0.005 0.000 0.332 54 Y C 0.073 175.946 175.900 -0.046 0.000 1.177 54 Y CA 0.168 58.239 58.100 -0.049 0.000 1.422 54 Y CB 0.735 39.158 38.460 -0.061 0.000 1.271 54 Y HN -0.194 nan 8.280 nan 0.000 0.550 55 S N 4.739 120.059 115.700 -0.635 0.000 2.720 55 S HA 0.558 5.025 4.470 -0.005 0.000 0.278 55 S C 0.348 174.615 174.600 -0.554 0.000 1.172 55 S CA -0.206 57.754 58.200 -0.401 0.000 1.019 55 S CB 0.755 63.833 63.200 -0.205 0.000 1.049 55 S HN 1.052 nan 8.310 nan 0.000 0.483 56 A N 4.355 126.983 122.820 -0.321 0.000 1.986 56 A HA -0.028 4.289 4.320 -0.005 0.000 0.220 56 A C 1.900 179.494 177.584 0.015 0.000 1.171 56 A CA 2.196 54.142 52.037 -0.152 0.000 0.640 56 A CB -0.839 18.223 19.000 0.104 0.000 0.811 56 A HN 0.869 nan 8.150 nan 0.000 0.451 57 V N -0.021 119.913 119.914 0.034 0.000 2.343 57 V HA -0.274 3.843 4.120 -0.005 0.000 0.247 57 V C 2.395 178.502 176.094 0.022 0.000 1.051 57 V CA 2.340 64.699 62.300 0.098 0.000 1.036 57 V CB -0.652 31.194 31.823 0.038 0.000 0.654 57 V HN 0.556 nan 8.190 nan 0.000 0.451 58 K N -0.269 120.070 120.400 -0.101 0.000 2.148 58 K HA -0.085 4.232 4.320 -0.005 0.000 0.204 58 K C 2.075 178.573 176.600 -0.171 0.000 1.050 58 K CA 1.057 57.270 56.287 -0.122 0.000 0.942 58 K CB -0.309 32.102 32.500 -0.150 0.000 0.724 58 K HN 0.338 nan 8.250 nan 0.000 0.446 59 V N 0.964 120.701 119.914 -0.295 0.000 2.287 59 V HA -0.255 3.862 4.120 -0.005 0.000 0.248 59 V C 1.926 177.784 176.094 -0.393 0.000 1.053 59 V CA 1.856 63.914 62.300 -0.403 0.000 1.027 59 V CB -0.539 30.938 31.823 -0.578 0.000 0.646 59 V HN 0.194 nan 8.190 nan 0.000 0.447 60 F N 0.262 120.161 119.950 -0.085 0.000 2.206 60 F HA -0.089 4.435 4.527 -0.005 0.000 0.298 60 F C 2.455 178.218 175.800 -0.061 0.000 1.090 60 F CA 1.408 59.374 58.000 -0.057 0.000 1.323 60 F CB -0.389 38.596 39.000 -0.024 0.000 1.028 60 F HN 0.168 nan 8.300 nan 0.000 0.492 61 E N -0.072 120.179 120.200 0.085 0.000 2.085 61 E HA -0.248 4.099 4.350 -0.005 0.000 0.194 61 E C 2.210 178.800 176.600 -0.017 0.000 0.994 61 E CA 1.008 57.425 56.400 0.029 0.000 0.801 61 E CB -0.241 29.464 29.700 0.008 0.000 0.743 61 E HN 0.322 nan 8.360 nan 0.000 0.453 62 Q N 0.452 120.214 119.800 -0.064 0.000 2.077 62 Q HA -0.164 4.173 4.340 -0.005 0.000 0.206 62 Q C 2.411 178.344 176.000 -0.113 0.000 0.989 62 Q CA 1.195 56.945 55.803 -0.090 0.000 0.853 62 Q CB -0.414 28.248 28.738 -0.127 0.000 0.907 62 Q HN 0.219 nan 8.270 nan 0.000 0.418 63 V N 0.800 120.629 119.914 -0.142 0.000 2.307 63 V HA -0.247 3.870 4.120 -0.005 0.000 0.245 63 V C 2.409 178.459 176.094 -0.073 0.000 1.045 63 V CA 1.713 63.901 62.300 -0.187 0.000 1.024 63 V CB -1.225 30.475 31.823 -0.205 0.000 0.651 63 V HN 0.348 nan 8.190 nan 0.000 0.449 64 A N -0.101 122.721 122.820 0.004 0.000 1.948 64 A HA -0.314 4.003 4.320 -0.005 0.000 0.220 64 A C 2.346 179.935 177.584 0.008 0.000 1.177 64 A CA 2.456 54.508 52.037 0.025 0.000 0.636 64 A CB -0.499 18.525 19.000 0.040 0.000 0.815 64 A HN 0.566 nan 8.150 nan 0.000 0.449 65 K N -0.983 119.413 120.400 -0.006 0.000 2.031 65 K HA -0.160 4.157 4.320 -0.005 0.000 0.205 65 K C 1.205 177.809 176.600 0.007 0.000 1.049 65 K CA 1.666 57.953 56.287 -0.000 0.000 0.939 65 K CB -0.123 32.374 32.500 -0.005 0.000 0.717 65 K HN 0.328 nan 8.250 nan 0.000 0.438 66 D N -0.167 120.224 120.400 -0.015 0.000 2.240 66 D HA -0.044 4.593 4.640 -0.005 0.000 0.206 66 D C 0.042 176.365 176.300 0.038 0.000 0.963 66 D CA 0.780 54.797 54.000 0.027 0.000 0.863 66 D CB 0.174 40.972 40.800 -0.004 0.000 0.973 66 D HN 0.087 nan 8.370 nan 0.000 0.501 67 N N -0.394 118.292 118.700 -0.024 0.000 2.675 67 N HA 0.159 4.896 4.740 -0.005 0.000 0.254 67 N C -2.377 173.163 175.510 0.051 0.000 1.224 67 N CA -1.549 51.518 53.050 0.028 0.000 0.777 67 N CB 1.623 40.123 38.487 0.021 0.000 1.256 67 N HN -0.269 nan 8.380 nan 0.000 0.531 68 P HA -0.044 nan 4.420 nan 0.000 0.221 68 P C 0.568 177.897 177.300 0.048 0.000 1.145 68 P CA 1.087 64.212 63.100 0.041 0.000 0.795 68 P CB 0.349 32.066 31.700 0.028 0.000 0.775 69 R N -2.828 117.705 120.500 0.054 0.000 2.393 69 R HA 0.191 4.528 4.340 -0.005 0.000 0.244 69 R C 1.598 177.912 176.300 0.023 0.000 0.920 69 R CA -0.226 55.891 56.100 0.028 0.000 1.076 69 R CB -0.480 29.825 30.300 0.007 0.000 1.119 69 R HN 0.183 nan 8.270 nan 0.000 0.524 70 F N 1.837 121.731 119.950 -0.093 0.000 2.102 70 F HA -0.167 4.357 4.527 -0.005 0.000 0.298 70 F C 2.285 177.992 175.800 -0.156 0.000 1.105 70 F CA 1.658 59.563 58.000 -0.157 0.000 1.239 70 F CB -0.053 38.837 39.000 -0.185 0.000 0.991 70 F HN 0.007 nan 8.300 nan 0.000 0.474 71 A N 0.550 123.424 122.820 0.090 0.000 1.908 71 A HA -0.264 4.053 4.320 -0.005 0.000 0.218 71 A C 1.943 179.474 177.584 -0.087 0.000 1.181 71 A CA 1.902 53.952 52.037 0.021 0.000 0.627 71 A CB -1.087 17.955 19.000 0.070 0.000 0.818 71 A HN 0.669 nan 8.150 nan 0.000 0.445 72 E N -0.407 119.745 120.200 -0.079 0.000 2.489 72 E HA 0.037 4.384 4.350 -0.005 0.000 0.193 72 E C 1.037 177.562 176.600 -0.126 0.000 1.057 72 E CA 1.030 57.380 56.400 -0.083 0.000 0.866 72 E CB -0.172 29.499 29.700 -0.049 0.000 0.916 72 E HN 0.650 nan 8.360 nan 0.000 0.500 73 T N -3.102 111.324 114.554 -0.214 0.000 2.964 73 T HA 0.096 4.443 4.350 -0.005 0.000 0.161 73 T C 1.706 176.167 174.700 -0.397 0.000 0.859 73 T CA 0.337 62.287 62.100 -0.250 0.000 1.015 73 T CB -0.650 68.090 68.868 -0.214 0.000 2.138 73 T HN -0.064 nan 8.240 nan 0.000 0.367 74 V N 2.793 122.311 119.914 -0.660 0.000 2.380 74 V HA -0.066 4.051 4.120 -0.005 0.000 0.251 74 V C 3.173 178.720 176.094 -0.912 0.000 1.063 74 V CA 2.253 64.025 62.300 -0.881 0.000 1.055 74 V CB -1.460 29.561 31.823 -1.337 0.000 0.657 74 V HN 0.821 nan 8.190 nan 0.000 0.455 75 A N 0.323 122.531 122.820 -1.021 0.000 2.167 75 A HA -0.102 4.215 4.320 -0.005 0.000 0.214 75 A C 2.295 179.811 177.584 -0.114 0.000 1.151 75 A CA 1.597 53.322 52.037 -0.520 0.000 0.735 75 A CB -0.628 18.204 19.000 -0.280 0.000 0.802 75 A HN 0.648 nan 8.150 nan 0.000 0.467 76 T N -1.817 112.644 114.554 -0.155 0.000 3.100 76 T HA 0.157 4.504 4.350 -0.005 0.000 0.253 76 T C 0.757 175.444 174.700 -0.023 0.000 1.118 76 T CA 0.208 62.274 62.100 -0.056 0.000 1.058 76 T CB -0.271 68.553 68.868 -0.072 0.000 0.953 76 T HN 0.695 nan 8.240 nan 0.000 0.515 77 R N 0.667 121.148 120.500 -0.031 0.000 2.888 77 R HA 0.680 5.017 4.340 -0.005 0.000 0.266 77 R C -3.293 173.036 176.300 0.049 0.000 1.020 77 R CA -2.354 53.745 56.100 -0.002 0.000 0.963 77 R CB 0.795 31.076 30.300 -0.033 0.000 1.197 77 R HN -0.082 nan 8.270 nan 0.000 0.481 78 P HA 0.104 nan 4.420 nan 0.000 0.275 78 P C -0.520 176.806 177.300 0.044 0.000 1.227 78 P CA -0.275 62.836 63.100 0.018 0.000 0.781 78 P CB 1.074 32.792 31.700 0.031 0.000 0.906 79 A N 3.600 126.403 122.820 -0.027 0.000 2.553 79 A HA 0.040 4.357 4.320 -0.005 0.000 0.258 79 A C 1.114 178.809 177.584 0.185 0.000 1.069 79 A CA 0.282 52.362 52.037 0.071 0.000 0.767 79 A CB -1.044 17.650 19.000 -0.511 0.000 0.997 79 A HN 0.550 nan 8.150 nan 0.000 0.512 80 I N 0.625 121.281 120.570 0.143 0.000 3.939 80 I HA 0.142 4.309 4.170 -0.005 0.000 0.313 80 I C -0.089 176.178 176.117 0.251 0.000 1.274 80 I CA 0.337 61.677 61.300 0.067 0.000 1.301 80 I CB 0.349 38.227 38.000 -0.203 0.000 1.105 80 I HN 0.420 nan 8.210 nan 0.000 0.427 81 D N 0.495 121.054 120.400 0.266 0.000 2.863 81 D HA 0.351 4.988 4.640 -0.005 0.000 0.245 81 D C 0.681 177.142 176.300 0.269 0.000 1.211 81 D CA -0.307 53.847 54.000 0.257 0.000 0.888 81 D CB 2.798 43.706 40.800 0.179 0.000 1.483 81 D HN -0.079 nan 8.370 nan 0.000 0.533 82 L N 1.939 123.274 121.223 0.186 0.000 2.141 82 L HA -0.145 4.192 4.340 -0.005 0.000 0.209 82 L C 2.360 179.337 176.870 0.179 0.000 1.094 82 L CA 1.001 55.889 54.840 0.081 0.000 0.763 82 L CB -0.095 41.903 42.059 -0.102 0.000 0.908 82 L HN 0.539 nan 8.230 nan 0.000 0.437 83 E N 1.040 121.327 120.200 0.145 0.000 2.204 83 E HA -0.286 4.061 4.350 -0.005 0.000 0.195 83 E C 1.570 178.287 176.600 0.195 0.000 0.990 83 E CA 1.464 57.944 56.400 0.134 0.000 0.821 83 E CB -0.340 29.416 29.700 0.093 0.000 0.750 83 E HN 0.740 nan 8.360 nan 0.000 0.477 84 E N -0.067 120.277 120.200 0.240 0.000 2.482 84 E HA -0.124 4.223 4.350 -0.005 0.000 0.196 84 E C 0.807 177.558 176.600 0.253 0.000 1.047 84 E CA 0.189 56.713 56.400 0.206 0.000 0.869 84 E CB -0.270 29.508 29.700 0.131 0.000 0.836 84 E HN 0.373 nan 8.360 nan 0.000 0.520 85 W N 1.177 122.592 121.300 0.190 0.000 3.316 85 W HA 0.420 5.078 4.660 -0.004 0.000 0.327 85 W C 1.999 178.519 176.519 0.002 0.000 1.232 85 W CA 0.144 57.630 57.345 0.236 0.000 1.805 85 W CB 0.387 29.976 29.460 0.215 0.000 1.090 85 W HN 0.195 nan 8.180 nan 0.000 0.654 86 G N 0.554 109.464 108.800 0.183 0.000 2.624 86 G HA2 -0.400 3.557 3.960 -0.005 0.000 0.221 86 G HA3 -0.400 3.557 3.960 -0.005 0.000 0.221 86 G C 1.633 176.414 174.900 -0.198 0.000 1.169 86 G CA 1.767 46.920 45.100 0.088 0.000 0.771 86 G HN 0.204 nan 8.290 nan 0.000 0.598 87 V N 0.584 120.131 119.914 -0.611 0.000 2.380 87 V HA -0.249 3.868 4.120 -0.005 0.000 0.251 87 V C 2.731 178.357 176.094 -0.781 0.000 1.063 87 V CA 3.077 64.602 62.300 -1.291 0.000 1.055 87 V CB -0.135 30.896 31.823 -1.319 0.000 0.657 87 V HN 0.673 nan 8.190 nan 0.000 0.455 88 Q N -0.775 118.651 119.800 -0.622 0.000 2.123 88 Q HA -0.060 4.277 4.340 -0.005 0.000 0.196 88 Q C 2.104 178.001 176.000 -0.171 0.000 0.958 88 Q CA 1.834 57.402 55.803 -0.392 0.000 0.841 88 Q CB -0.227 28.389 28.738 -0.204 0.000 0.915 88 Q HN 0.685 nan 8.270 nan 0.000 0.455 89 I N 1.143 121.674 120.570 -0.064 0.000 2.226 89 I HA -0.272 3.895 4.170 -0.005 0.000 0.245 89 I C 2.473 178.562 176.117 -0.046 0.000 1.100 89 I CA 1.012 62.296 61.300 -0.027 0.000 1.374 89 I CB -0.481 37.522 38.000 0.004 0.000 1.057 89 I HN 0.340 nan 8.210 nan 0.000 0.413 90 A N 0.878 123.659 122.820 -0.066 0.000 1.892 90 A HA -0.263 4.054 4.320 -0.005 0.000 0.218 90 A C 2.554 180.096 177.584 -0.070 0.000 1.188 90 A CA 2.217 54.234 52.037 -0.033 0.000 0.631 90 A CB -1.008 17.999 19.000 0.012 0.000 0.822 90 A HN 0.451 nan 8.150 nan 0.000 0.447 91 A N -0.838 121.887 122.820 -0.158 0.000 1.933 91 A HA 0.007 4.324 4.320 -0.005 0.000 0.218 91 A C 2.242 179.764 177.584 -0.104 0.000 1.175 91 A CA 1.841 53.780 52.037 -0.162 0.000 0.628 91 A CB -0.846 17.997 19.000 -0.261 0.000 0.814 91 A HN 0.410 nan 8.150 nan 0.000 0.444 92 V N 0.816 120.687 119.914 -0.071 0.000 2.307 92 V HA -0.243 3.874 4.120 -0.005 0.000 0.245 92 V C 2.235 178.380 176.094 0.085 0.000 1.045 92 V CA 2.025 64.354 62.300 0.048 0.000 1.024 92 V CB -0.873 30.971 31.823 0.036 0.000 0.651 92 V HN 0.600 nan 8.190 nan 0.000 0.449 93 N N 0.069 118.782 118.700 0.022 0.000 2.223 93 N HA -0.203 4.534 4.740 -0.005 0.000 0.185 93 N C 2.053 177.577 175.510 0.023 0.000 1.016 93 N CA 1.322 54.380 53.050 0.014 0.000 0.863 93 N CB -0.192 38.296 38.487 0.002 0.000 0.983 93 N HN 0.475 nan 8.380 nan 0.000 0.429 94 R N 1.741 122.253 120.500 0.019 0.000 2.094 94 R HA -0.102 4.235 4.340 -0.005 0.000 0.239 94 R C -0.926 175.393 176.300 0.032 0.000 1.137 94 R CA 1.605 57.717 56.100 0.019 0.000 0.943 94 R CB -1.063 29.238 30.300 0.002 0.000 0.850 94 R HN 0.167 nan 8.270 nan 0.000 0.433 95 P HA -0.068 nan 4.420 nan 0.000 0.234 95 P C 0.783 178.126 177.300 0.071 0.000 1.167 95 P CA 0.839 63.980 63.100 0.068 0.000 0.763 95 P CB 0.085 31.850 31.700 0.108 0.000 0.835 96 L N -1.458 119.795 121.223 0.050 0.000 2.477 96 L HA 0.012 4.349 4.340 -0.005 0.000 0.220 96 L C 2.540 179.397 176.870 -0.022 0.000 1.106 96 L CA 0.714 55.558 54.840 0.006 0.000 0.851 96 L CB -1.022 41.023 42.059 -0.024 0.000 0.994 96 L HN -0.226 nan 8.230 nan 0.000 0.462 97 V N -0.268 119.637 119.914 -0.015 0.000 2.233 97 V HA -0.318 3.799 4.120 -0.005 0.000 0.247 97 V C 2.162 178.203 176.094 -0.088 0.000 1.050 97 V CA 1.993 64.263 62.300 -0.050 0.000 1.010 97 V CB -0.527 31.295 31.823 -0.001 0.000 0.637 97 V HN 0.379 nan 8.190 nan 0.000 0.444 98 D N 0.751 121.159 120.400 0.013 0.000 2.127 98 D HA -0.187 4.450 4.640 -0.005 0.000 0.190 98 D C 2.158 178.439 176.300 -0.033 0.000 1.000 98 D CA 2.014 56.041 54.000 0.045 0.000 0.839 98 D CB -0.832 40.027 40.800 0.098 0.000 0.955 98 D HN 0.489 nan 8.370 nan 0.000 0.446 99 G N -0.064 108.722 108.800 -0.023 0.000 2.408 99 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.217 99 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.217 99 G C 0.949 175.815 174.900 -0.057 0.000 1.150 99 G CA 1.063 46.145 45.100 -0.030 0.000 0.776 99 G HN 0.261 nan 8.290 nan 0.000 0.542 103 L N 1.115 122.324 121.223 -0.022 0.000 2.027 103 L HA 0.002 4.339 4.340 -0.005 0.000 0.206 103 L C 2.164 179.061 176.870 0.046 0.000 1.074 103 L CA 2.588 57.428 54.840 -0.001 0.000 0.745 103 L CB -0.431 41.608 42.059 -0.035 0.000 0.898 103 L HN 0.238 nan 8.230 nan 0.000 0.433 104 V N -0.010 119.914 119.914 0.018 0.000 2.469 104 V HA -0.289 3.828 4.120 -0.005 0.000 0.251 104 V C 2.150 178.263 176.094 0.031 0.000 1.064 104 V CA 1.850 64.172 62.300 0.036 0.000 1.066 104 V CB -0.850 30.960 31.823 -0.023 0.000 0.667 104 V HN 0.470 nan 8.190 nan 0.000 0.461 105 D N -0.013 120.396 120.400 0.015 0.000 2.117 105 D HA -0.123 4.514 4.640 -0.005 0.000 0.198 105 D C 1.942 178.263 176.300 0.034 0.000 0.982 105 D CA 1.288 55.298 54.000 0.016 0.000 0.828 105 D CB -0.284 40.523 40.800 0.012 0.000 0.967 105 D HN 0.446 nan 8.370 nan 0.000 0.464 106 D N -0.697 119.737 120.400 0.057 0.000 2.123 106 D HA -0.155 4.482 4.640 -0.005 0.000 0.200 106 D C 1.779 178.152 176.300 0.122 0.000 0.976 106 D CA 0.772 54.818 54.000 0.077 0.000 0.831 106 D CB -0.245 40.602 40.800 0.079 0.000 0.974 106 D HN 0.299 nan 8.370 nan 0.000 0.469 107 Y N 1.009 121.305 120.300 -0.006 0.000 2.503 107 Y HA 0.145 4.692 4.550 -0.005 0.000 0.277 107 Y C -0.034 175.865 175.900 -0.001 0.000 1.102 107 Y CA 0.215 58.315 58.100 -0.000 0.000 1.261 107 Y CB 0.347 38.805 38.460 -0.003 0.000 1.096 107 Y HN -0.241 nan 8.280 nan 0.000 0.546 108 R N 0.367 120.832 120.500 -0.057 0.000 3.146 108 R HA -0.149 4.188 4.340 -0.005 0.000 0.250 108 R C -2.710 173.439 176.300 -0.253 0.000 0.912 108 R CA 0.347 56.370 56.100 -0.128 0.000 0.633 108 R CB -2.218 28.017 30.300 -0.109 0.000 1.180 108 R HN 0.300 nan 8.270 nan 0.000 0.464 109 P HA -0.023 nan 4.420 nan 0.000 0.269 109 P C -0.115 177.099 177.300 -0.144 0.000 1.209 109 P CA 0.037 63.023 63.100 -0.190 0.000 0.776 109 P CB 0.632 32.349 31.700 0.028 0.000 0.876 110 D N 0.584 120.894 120.400 -0.150 0.000 2.354 110 D HA 0.124 4.762 4.640 -0.005 0.000 0.209 110 D C 0.511 176.740 176.300 -0.118 0.000 1.015 110 D CA 0.780 54.711 54.000 -0.114 0.000 0.867 110 D CB 0.426 41.165 40.800 -0.102 0.000 0.933 110 D HN 0.212 nan 8.370 nan 0.000 0.520 111 L N -0.128 121.009 121.223 -0.144 0.000 2.556 111 L HA 0.352 4.689 4.340 -0.005 0.000 0.257 111 L C -1.999 174.753 176.870 -0.196 0.000 0.955 111 L CA -0.679 54.056 54.840 -0.175 0.000 0.850 111 L CB 2.432 44.352 42.059 -0.232 0.000 1.398 111 L HN -0.355 nan 8.230 nan 0.000 0.412 112 V N 4.069 123.866 119.914 -0.195 0.000 2.487 112 V HA 0.645 4.762 4.120 -0.005 0.000 0.298 112 V C -0.713 175.239 176.094 -0.237 0.000 1.028 112 V CA -0.634 61.542 62.300 -0.206 0.000 0.860 112 V CB 1.876 33.609 31.823 -0.150 0.000 0.991 112 V HN 0.550 nan 8.190 nan 0.000 0.427 113 V N 6.280 125.933 119.914 -0.435 0.000 2.417 113 V HA 0.592 4.709 4.120 -0.005 0.000 0.291 113 V C -0.790 175.154 176.094 -0.251 0.000 1.024 113 V CA -0.615 61.399 62.300 -0.477 0.000 0.861 113 V CB 1.345 32.528 31.823 -1.065 0.000 0.985 113 V HN 0.886 nan 8.190 nan 0.000 0.436 114 Y N 1.874 122.013 120.300 -0.267 0.000 2.524 114 Y HA 0.827 5.374 4.550 -0.004 0.000 0.347 114 Y C -0.170 175.660 175.900 -0.117 0.000 1.005 114 Y CA -1.573 56.423 58.100 -0.174 0.000 1.025 114 Y CB 1.216 39.572 38.460 -0.174 0.000 1.275 114 Y HN 0.731 nan 8.280 nan 0.000 0.460 115 E N 1.230 121.357 120.200 -0.122 0.000 2.366 115 E HA 0.099 4.446 4.350 -0.005 0.000 0.266 115 E C 0.772 177.256 176.600 -0.193 0.000 1.051 115 E CA -0.454 55.830 56.400 -0.194 0.000 0.884 115 E CB 1.380 31.002 29.700 -0.131 0.000 1.006 115 E HN 0.865 nan 8.360 nan 0.000 0.417 116 Q N 2.345 122.020 119.800 -0.209 0.000 2.142 116 Q HA -0.242 4.095 4.340 -0.005 0.000 0.213 116 Q C 1.568 177.583 176.000 0.025 0.000 1.004 116 Q CA 2.169 57.927 55.803 -0.075 0.000 0.883 116 Q CB -0.581 28.111 28.738 -0.076 0.000 0.939 116 Q HN 0.882 nan 8.270 nan 0.000 0.413 117 G N -1.104 107.583 108.800 -0.187 0.000 2.956 117 G HA2 0.248 4.205 3.960 -0.005 0.000 0.207 117 G HA3 0.248 4.205 3.960 -0.005 0.000 0.207 117 G C 0.038 174.894 174.900 -0.074 0.000 1.162 117 G CA 0.353 45.334 45.100 -0.197 0.000 0.796 117 G HN 0.367 nan 8.290 nan 0.000 0.527 118 A N 0.144 122.999 122.820 0.059 0.000 2.923 118 A HA 0.550 4.867 4.320 -0.005 0.000 0.343 118 A C 1.369 178.976 177.584 0.038 0.000 1.199 118 A CA -0.178 51.887 52.037 0.046 0.000 0.878 118 A CB 0.121 19.129 19.000 0.013 0.000 1.104 118 A HN 0.043 nan 8.150 nan 0.000 0.483 119 T N 0.255 114.839 114.554 0.049 0.000 2.803 119 T HA -0.168 4.179 4.350 -0.005 0.000 0.269 119 T C 1.947 176.514 174.700 -0.222 0.000 1.052 119 T CA 1.856 63.910 62.100 -0.077 0.000 1.136 119 T CB -0.185 68.746 68.868 0.106 0.000 0.864 119 T HN 0.463 nan 8.240 nan 0.000 0.467 120 V N 1.577 121.408 119.914 -0.139 0.000 2.453 120 V HA -0.185 3.932 4.120 -0.005 0.000 0.252 120 V C 2.528 178.479 176.094 -0.238 0.000 1.068 120 V CA 2.286 64.494 62.300 -0.153 0.000 1.070 120 V CB -1.133 30.631 31.823 -0.098 0.000 0.664 120 V HN 0.602 nan 8.190 nan 0.000 0.461 121 G N -0.485 108.126 108.800 -0.314 0.000 2.446 121 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.217 121 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.217 121 G C 1.530 176.064 174.900 -0.611 0.000 1.168 121 G CA 1.293 46.134 45.100 -0.432 0.000 0.771 121 G HN 0.533 nan 8.290 nan 0.000 0.551 122 L N 0.006 120.730 121.223 -0.832 0.000 2.056 122 L HA 0.019 4.356 4.340 -0.005 0.000 0.207 122 L C 2.886 179.542 176.870 -0.356 0.000 1.078 122 L CA 0.551 55.001 54.840 -0.650 0.000 0.749 122 L CB -0.311 41.343 42.059 -0.674 0.000 0.901 122 L HN 0.197 nan 8.230 nan 0.000 0.433 123 L N -0.771 120.283 121.223 -0.282 0.000 2.093 123 L HA -0.151 4.186 4.340 -0.005 0.000 0.208 123 L C 2.873 179.640 176.870 -0.172 0.000 1.085 123 L CA 0.964 55.695 54.840 -0.183 0.000 0.755 123 L CB -0.920 41.057 42.059 -0.137 0.000 0.904 123 L HN 0.223 nan 8.230 nan 0.000 0.435 124 A N 0.566 123.270 122.820 -0.195 0.000 1.908 124 A HA -0.175 4.143 4.320 -0.005 0.000 0.218 124 A C 2.557 180.055 177.584 -0.144 0.000 1.181 124 A CA 1.834 53.775 52.037 -0.159 0.000 0.627 124 A CB -0.671 18.238 19.000 -0.152 0.000 0.818 124 A HN 0.395 nan 8.150 nan 0.000 0.445 125 A N -0.656 122.056 122.820 -0.180 0.000 2.015 125 A HA -0.174 4.143 4.320 -0.005 0.000 0.219 125 A C 1.933 179.443 177.584 -0.122 0.000 1.163 125 A CA 1.788 53.733 52.037 -0.153 0.000 0.646 125 A CB -0.443 18.447 19.000 -0.184 0.000 0.806 125 A HN 0.599 nan 8.150 nan 0.000 0.448 126 D N -0.449 119.876 120.400 -0.125 0.000 2.137 126 D HA -0.148 4.489 4.640 -0.005 0.000 0.202 126 D C 2.126 178.383 176.300 -0.072 0.000 0.970 126 D CA 1.119 55.063 54.000 -0.093 0.000 0.837 126 D CB -0.047 40.700 40.800 -0.090 0.000 0.981 126 D HN 0.290 nan 8.370 nan 0.000 0.475 127 R N 1.105 121.560 120.500 -0.076 0.000 2.103 127 R HA -0.096 4.241 4.340 -0.005 0.000 0.242 127 R C 1.996 178.266 176.300 -0.050 0.000 1.142 127 R CA 2.070 58.135 56.100 -0.059 0.000 0.960 127 R CB -0.848 29.406 30.300 -0.077 0.000 0.858 127 R HN 0.115 nan 8.270 nan 0.000 0.439 128 A N -0.855 121.930 122.820 -0.059 0.000 2.119 128 A HA 0.246 4.563 4.320 -0.005 0.000 0.216 128 A C 1.384 178.937 177.584 -0.052 0.000 1.152 128 A CA 0.724 52.729 52.037 -0.053 0.000 0.708 128 A CB -0.641 18.324 19.000 -0.058 0.000 0.805 128 A HN 0.647 nan 8.150 nan 0.000 0.460 129 G N -0.562 108.205 108.800 -0.056 0.000 2.314 129 G HA2 -0.020 3.937 3.960 -0.005 0.000 0.292 129 G HA3 -0.020 3.937 3.960 -0.005 0.000 0.292 129 G C 0.150 175.017 174.900 -0.055 0.000 1.059 129 G CA 0.751 45.820 45.100 -0.051 0.000 0.982 129 G HN 1.818 nan 8.290 nan 0.000 0.505 130 V N -3.804 116.069 119.914 -0.068 0.000 3.102 130 V HA 0.959 5.076 4.120 -0.005 0.000 0.312 130 V C -2.306 173.740 176.094 -0.081 0.000 1.135 130 V CA -2.923 59.335 62.300 -0.071 0.000 1.022 130 V CB 2.000 33.776 31.823 -0.078 0.000 1.056 130 V HN 0.070 nan 8.190 nan 0.000 0.436 131 P HA 0.497 nan 4.420 nan 0.000 0.268 131 P C -0.670 176.571 177.300 -0.099 0.000 1.205 131 P CA 0.331 63.382 63.100 -0.081 0.000 0.771 131 P CB 0.677 32.336 31.700 -0.068 0.000 0.858 132 A N 2.554 125.320 122.820 -0.091 0.000 2.350 132 A HA 0.639 4.956 4.320 -0.005 0.000 0.324 132 A C -0.972 176.597 177.584 -0.024 0.000 1.118 132 A CA -0.607 51.397 52.037 -0.055 0.000 0.783 132 A CB 1.131 20.081 19.000 -0.084 0.000 1.236 132 A HN 0.342 nan 8.150 nan 0.000 0.457 133 V N 2.560 122.455 119.914 -0.031 0.000 2.487 133 V HA 0.374 4.491 4.120 -0.005 0.000 0.298 133 V C -0.004 175.923 176.094 -0.277 0.000 1.028 133 V CA -0.476 61.731 62.300 -0.154 0.000 0.860 133 V CB 1.501 33.211 31.823 -0.189 0.000 0.991 133 V HN 1.007 nan 8.190 nan 0.000 0.427 134 Q N 3.270 122.827 119.800 -0.404 0.000 2.230 134 Q HA 0.605 4.942 4.340 -0.005 0.000 0.248 134 Q C -0.557 175.170 176.000 -0.455 0.000 0.915 134 Q CA -0.867 54.463 55.803 -0.787 0.000 0.900 134 Q CB 1.352 29.708 28.738 -0.636 0.000 1.229 134 Q HN 0.613 nan 8.270 nan 0.000 0.439 135 R N 2.968 123.200 120.500 -0.446 0.000 2.388 135 R HA 0.358 4.696 4.340 -0.005 0.000 0.314 135 R C -1.634 174.594 176.300 -0.119 0.000 0.959 135 R CA -0.496 55.491 56.100 -0.188 0.000 0.851 135 R CB 0.487 30.727 30.300 -0.100 0.000 1.168 135 R HN 0.575 nan 8.270 nan 0.000 0.472 136 N N 2.673 121.341 118.700 -0.053 0.000 2.455 136 N HA 0.102 4.839 4.740 -0.005 0.000 0.280 136 N C 0.259 175.795 175.510 0.043 0.000 1.055 136 N CA -0.282 52.761 53.050 -0.013 0.000 0.961 136 N CB 1.840 40.309 38.487 -0.031 0.000 1.121 136 N HN 0.671 nan 8.380 nan 0.000 0.476 137 Q N 0.122 119.966 119.800 0.074 0.000 2.376 137 Q HA 0.265 4.602 4.340 -0.005 0.000 0.206 137 Q C 0.615 176.558 176.000 -0.095 0.000 0.921 137 Q CA 0.487 56.347 55.803 0.096 0.000 0.911 137 Q CB 0.498 29.347 28.738 0.184 0.000 1.032 137 Q HN 0.375 nan 8.270 nan 0.000 0.510 138 S N -1.301 114.257 115.700 -0.236 0.000 3.952 138 S HA 0.695 5.162 4.470 -0.005 0.000 0.293 138 S C -0.357 173.633 174.600 -1.015 0.000 1.090 138 S CA -0.074 57.669 58.200 -0.762 0.000 1.264 138 S CB 0.421 63.384 63.200 -0.396 0.000 1.393 138 S HN 0.205 nan 8.310 nan 0.000 0.757 139 A N -0.347 121.911 122.820 -0.937 0.000 2.303 139 A HA 0.329 4.646 4.320 -0.005 0.000 0.217 139 A C -0.207 177.218 177.584 -0.265 0.000 1.205 139 A CA -0.509 51.196 52.037 -0.553 0.000 0.875 139 A CB -0.593 18.213 19.000 -0.323 0.000 0.910 139 A HN 0.618 nan 8.150 nan 0.000 0.501 140 W N 2.128 123.365 121.300 -0.105 0.000 2.493 140 W HA 0.118 4.776 4.660 -0.004 0.000 0.337 140 W C 0.443 176.944 176.519 -0.030 0.000 1.234 140 W CA -0.414 56.911 57.345 -0.033 0.000 1.286 140 W CB 0.415 29.856 29.460 -0.032 0.000 1.188 140 W HN 0.108 nan 8.180 nan 0.000 0.564 141 R N 2.472 123.115 120.500 0.238 0.000 2.349 141 R HA 0.188 4.525 4.340 -0.005 0.000 0.299 141 R C 0.978 177.351 176.300 0.123 0.000 1.027 141 R CA -0.370 55.815 56.100 0.142 0.000 0.958 141 R CB 0.702 31.071 30.300 0.115 0.000 1.047 141 R HN 0.470 nan 8.270 nan 0.000 0.468 142 T N 2.543 117.140 114.554 0.072 0.000 2.701 142 T HA -0.077 4.270 4.350 -0.005 0.000 0.263 142 T C 0.820 175.531 174.700 0.019 0.000 1.040 142 T CA 0.881 62.994 62.100 0.022 0.000 1.147 142 T CB -0.007 68.886 68.868 0.042 0.000 0.865 142 T HN 0.571 nan 8.240 nan 0.000 0.426 143 R N 0.000 120.529 120.500 0.047 0.000 3.682 143 R HA -0.192 4.145 4.340 -0.005 0.000 0.519 143 R C 0.989 177.313 176.300 0.040 0.000 0.241 143 R CA 1.074 57.203 56.100 0.049 0.000 1.619 143 R CB -1.744 28.592 30.300 0.059 0.000 0.923 143 R HN 0.543 nan 8.270 nan 0.000 0.598 147 R N 1.112 121.686 120.500 0.122 0.000 2.073 147 R HA -0.059 4.278 4.340 -0.005 0.000 0.234 147 R C 2.117 178.445 176.300 0.047 0.000 1.134 147 R CA 1.898 58.036 56.100 0.062 0.000 0.952 147 R CB 0.024 30.348 30.300 0.040 0.000 0.850 147 R HN 0.025 nan 8.270 nan 0.000 0.433 148 S N 0.873 116.613 115.700 0.068 0.000 2.353 148 S HA -0.153 4.314 4.470 -0.005 0.000 0.222 148 S C 1.964 176.680 174.600 0.194 0.000 1.035 148 S CA 1.390 59.653 58.200 0.105 0.000 1.025 148 S CB -0.235 63.057 63.200 0.153 0.000 0.902 148 S HN 0.204 nan 8.310 nan 0.000 0.440 149 I N 1.763 122.447 120.570 0.189 0.000 2.163 149 I HA -0.251 3.916 4.170 -0.005 0.000 0.243 149 I C 2.676 178.908 176.117 0.192 0.000 1.085 149 I CA 1.284 62.717 61.300 0.222 0.000 1.347 149 I CB -0.531 37.555 38.000 0.143 0.000 1.044 149 I HN 0.264 nan 8.210 nan 0.000 0.408 150 A N 0.546 123.428 122.820 0.105 0.000 1.933 150 A HA -0.251 4.066 4.320 -0.005 0.000 0.218 150 A C 2.490 180.075 177.584 0.001 0.000 1.175 150 A CA 2.131 54.197 52.037 0.049 0.000 0.628 150 A CB -0.963 18.050 19.000 0.022 0.000 0.814 150 A HN 0.532 nan 8.150 nan 0.000 0.444 151 S N -0.977 114.681 115.700 -0.070 0.000 2.440 151 S HA -0.151 4.316 4.470 -0.005 0.000 0.240 151 S C 1.290 175.676 174.600 -0.356 0.000 1.014 151 S CA 1.525 59.578 58.200 -0.245 0.000 0.980 151 S CB -0.697 62.276 63.200 -0.379 0.000 0.775 151 S HN 0.423 nan 8.310 nan 0.000 0.499 152 F N 0.617 120.558 119.950 -0.016 0.000 2.727 152 F HA 0.486 5.010 4.527 -0.005 0.000 0.302 152 F C 0.966 176.751 175.800 -0.024 0.000 1.097 152 F CA -0.060 57.925 58.000 -0.026 0.000 1.330 152 F CB 0.211 39.186 39.000 -0.042 0.000 1.084 152 F HN 0.158 nan 8.300 nan 0.000 0.578 153 L N -0.222 121.065 121.223 0.107 0.000 3.202 153 L HA 0.143 4.480 4.340 -0.005 0.000 0.278 153 L C 1.867 178.755 176.870 0.029 0.000 1.268 153 L CA 0.079 54.960 54.840 0.068 0.000 1.034 153 L CB -0.337 41.759 42.059 0.062 0.000 1.407 153 L HN 0.098 nan 8.230 nan 0.000 0.581 154 T N -3.217 111.340 114.554 0.005 0.000 2.821 154 T HA -0.197 4.150 4.350 -0.005 0.000 0.267 154 T C 1.619 176.314 174.700 -0.008 0.000 1.046 154 T CA 1.403 63.495 62.100 -0.013 0.000 1.139 154 T CB -0.229 68.617 68.868 -0.037 0.000 0.871 154 T HN 0.478 nan 8.240 nan 0.000 0.454 155 D N 1.904 122.301 120.400 -0.005 0.000 2.158 155 D HA -0.103 4.534 4.640 -0.005 0.000 0.197 155 D C 1.230 177.522 176.300 -0.014 0.000 0.995 155 D CA 0.682 54.675 54.000 -0.012 0.000 0.846 155 D CB -0.765 40.031 40.800 -0.008 0.000 0.941 155 D HN 0.424 nan 8.370 nan 0.000 0.456 159 K N 0.340 120.678 120.400 -0.104 0.000 2.103 159 K HA -0.115 4.202 4.320 -0.005 0.000 0.207 159 K C 1.124 177.553 176.600 -0.285 0.000 1.048 159 K CA 1.263 57.417 56.287 -0.222 0.000 0.930 159 K CB 0.051 32.351 32.500 -0.333 0.000 0.716 159 K HN 0.224 nan 8.250 nan 0.000 0.444 160 H N 0.154 119.212 119.070 -0.020 0.000 2.551 160 H HA 0.106 4.659 4.556 -0.005 0.000 0.271 160 H C -0.111 175.202 175.328 -0.025 0.000 0.984 160 H CA 0.230 56.265 56.048 -0.022 0.000 1.164 160 H CB 0.509 30.255 29.762 -0.026 0.000 1.437 160 H HN 0.251 nan 8.280 nan 0.000 0.550 161 Q N 0.404 120.234 119.800 0.050 0.000 2.439 161 Q HA -0.141 4.196 4.340 -0.005 0.000 0.325 161 Q C -0.469 175.545 176.000 0.022 0.000 1.372 161 Q CA 0.446 56.262 55.803 0.022 0.000 0.909 161 Q CB -1.483 27.262 28.738 0.011 0.000 1.167 161 Q HN 0.293 nan 8.270 nan 0.000 0.418 162 V N -2.594 117.335 119.914 0.025 0.000 2.864 162 V HA 0.936 5.053 4.120 -0.005 0.000 0.314 162 V C 0.286 176.371 176.094 -0.016 0.000 1.073 162 V CA -0.229 62.070 62.300 -0.002 0.000 0.956 162 V CB 2.351 34.169 31.823 -0.008 0.000 1.023 162 V HN 0.323 nan 8.190 nan 0.000 0.435 163 S N 2.756 118.436 115.700 -0.033 0.000 2.745 163 S HA 0.830 5.298 4.470 -0.005 0.000 0.306 163 S C -0.861 173.706 174.600 -0.055 0.000 1.137 163 S CA -0.842 57.336 58.200 -0.036 0.000 0.900 163 S CB 1.752 64.934 63.200 -0.031 0.000 1.176 163 S HN 1.106 nan 8.310 nan 0.000 0.520 164 L N 2.895 124.087 121.223 -0.052 0.000 2.255 164 L HA 0.593 4.930 4.340 -0.005 0.000 0.289 164 L C -2.230 174.597 176.870 -0.071 0.000 1.046 164 L CA -1.475 53.323 54.840 -0.070 0.000 0.816 164 L CB 0.263 42.295 42.059 -0.045 0.000 1.197 164 L HN 0.629 nan 8.230 nan 0.000 0.427 165 P HA 0.390 nan 4.420 nan 0.000 0.284 165 P C -1.222 176.023 177.300 -0.092 0.000 1.292 165 P CA -0.660 62.386 63.100 -0.089 0.000 0.800 165 P CB 0.997 32.634 31.700 -0.105 0.000 1.188 166 E N 0.191 120.350 120.200 -0.067 0.000 2.207 166 E HA 0.381 4.728 4.350 -0.005 0.000 0.270 166 E C -2.090 174.477 176.600 -0.056 0.000 0.927 166 E CA -1.939 54.432 56.400 -0.048 0.000 0.799 166 E CB 0.950 30.638 29.700 -0.020 0.000 1.172 166 E HN 0.411 nan 8.360 nan 0.000 0.404 167 P HA -0.042 nan 4.420 nan 0.000 0.272 167 P C 0.793 178.040 177.300 -0.090 0.000 1.223 167 P CA -0.077 63.005 63.100 -0.029 0.000 0.784 167 P CB 0.849 32.568 31.700 0.032 0.000 0.923 168 V N -1.388 118.448 119.914 -0.129 0.000 3.129 168 V HA 0.397 4.514 4.120 -0.005 0.000 0.259 168 V C 0.701 176.615 176.094 -0.300 0.000 1.116 168 V CA 1.047 63.250 62.300 -0.162 0.000 1.127 168 V CB -1.112 30.632 31.823 -0.132 0.000 0.742 168 V HN 0.763 nan 8.190 nan 0.000 0.474 169 A N -0.943 121.634 122.820 -0.406 0.000 2.605 169 A HA 0.717 5.034 4.320 -0.005 0.000 0.294 169 A C -0.523 176.763 177.584 -0.497 0.000 1.062 169 A CA -0.201 51.422 52.037 -0.691 0.000 0.682 169 A CB 1.338 19.454 19.000 -1.474 0.000 1.278 169 A HN 0.163 nan 8.150 nan 0.000 0.410 170 T N 1.698 115.980 114.554 -0.453 0.000 2.840 170 T HA 0.543 4.890 4.350 -0.005 0.000 0.287 170 T C -0.584 173.987 174.700 -0.215 0.000 0.991 170 T CA 0.003 61.936 62.100 -0.279 0.000 0.964 170 T CB 0.554 69.315 68.868 -0.179 0.000 0.954 170 T HN 0.447 nan 8.240 nan 0.000 0.438 171 I N 3.532 124.020 120.570 -0.136 0.000 2.297 171 I HA 0.230 4.397 4.170 -0.005 0.000 0.291 171 I C 0.684 176.794 176.117 -0.012 0.000 1.033 171 I CA -0.726 60.572 61.300 -0.003 0.000 1.253 171 I CB 0.788 38.839 38.000 0.084 0.000 1.396 171 I HN 0.433 nan 8.210 nan 0.000 0.476 172 E N 3.945 124.113 120.200 -0.053 0.000 2.390 172 E HA 0.151 4.498 4.350 -0.005 0.000 0.261 172 E C 0.490 177.187 176.600 0.162 0.000 1.076 172 E CA -0.010 56.386 56.400 -0.006 0.000 0.905 172 E CB 1.278 30.912 29.700 -0.109 0.000 0.984 172 E HN 0.516 nan 8.360 nan 0.000 0.427 173 S N 0.820 116.627 115.700 0.178 0.000 2.456 173 S HA 0.088 4.555 4.470 -0.005 0.000 0.224 173 S C 0.277 175.150 174.600 0.455 0.000 1.035 173 S CA 0.136 58.528 58.200 0.321 0.000 0.940 173 S CB 0.120 63.438 63.200 0.198 0.000 0.799 173 S HN 0.286 nan 8.310 nan 0.000 0.508 174 F N 2.425 122.437 119.950 0.103 0.000 2.379 174 F HA 0.491 5.016 4.527 -0.004 0.000 0.332 174 F C -2.370 173.570 175.800 0.232 0.000 1.096 174 F CA -3.508 54.547 58.000 0.091 0.000 1.105 174 F CB -0.075 38.954 39.000 0.047 0.000 1.189 174 F HN -0.074 nan 8.300 nan 0.000 0.515 175 P HA 0.230 nan 4.420 nan 0.000 0.276 175 P C -2.162 175.168 177.300 0.051 0.000 1.252 175 P CA -1.247 61.940 63.100 0.145 0.000 0.802 175 P CB 0.340 32.045 31.700 0.009 0.000 1.035 176 P HA -0.265 nan 4.420 nan 0.000 0.217 176 P C 1.446 178.716 177.300 -0.051 0.000 1.162 176 P CA 2.305 65.221 63.100 -0.307 0.000 0.901 176 P CB -0.460 30.943 31.700 -0.496 0.000 0.793 177 S N -1.848 113.811 115.700 -0.069 0.000 2.555 177 S HA -0.009 4.458 4.470 -0.005 0.000 0.230 177 S C 1.647 176.242 174.600 -0.009 0.000 0.978 177 S CA 0.544 58.723 58.200 -0.035 0.000 0.934 177 S CB -1.251 61.917 63.200 -0.053 0.000 0.766 177 S HN 0.084 nan 8.310 nan 0.000 0.533 178 L N 0.290 121.524 121.223 0.018 0.000 2.592 178 L HA 0.421 4.758 4.340 -0.005 0.000 0.227 178 L C 0.027 176.988 176.870 0.151 0.000 1.127 178 L CA 0.165 55.030 54.840 0.042 0.000 0.884 178 L CB 0.019 42.042 42.059 -0.060 0.000 1.065 178 L HN 0.296 nan 8.230 nan 0.000 0.457 179 L N -0.718 120.599 121.223 0.157 0.000 2.346 179 L HA 0.220 4.557 4.340 -0.005 0.000 0.274 179 L C 0.360 177.299 176.870 0.115 0.000 1.007 179 L CA -0.433 54.507 54.840 0.166 0.000 0.818 179 L CB 2.453 44.655 42.059 0.238 0.000 1.284 179 L HN -0.127 nan 8.230 nan 0.000 0.424 180 L N 1.092 122.371 121.223 0.094 0.000 2.357 180 L HA 0.299 4.636 4.340 -0.005 0.000 0.211 180 L C 0.655 177.576 176.870 0.085 0.000 1.075 180 L CA 1.134 56.019 54.840 0.075 0.000 0.830 180 L CB 0.249 42.342 42.059 0.057 0.000 0.996 180 L HN 0.596 nan 8.230 nan 0.000 0.467 181 E N 0.105 120.361 120.200 0.093 0.000 2.199 181 E HA 0.575 4.922 4.350 -0.005 0.000 0.269 181 E C -1.064 175.602 176.600 0.110 0.000 0.899 181 E CA -0.627 55.828 56.400 0.092 0.000 0.772 181 E CB 1.791 31.539 29.700 0.080 0.000 1.155 181 E HN 0.217 nan 8.360 nan 0.000 0.408 182 A N 4.172 127.060 122.820 0.112 0.000 2.316 182 A HA 0.280 4.597 4.320 -0.005 0.000 0.284 182 A C 0.008 177.636 177.584 0.074 0.000 1.115 182 A CA -0.553 51.556 52.037 0.120 0.000 0.812 182 A CB 0.635 19.721 19.000 0.144 0.000 1.064 182 A HN 0.670 nan 8.150 nan 0.000 0.489 183 E N 1.178 121.402 120.200 0.040 0.000 2.390 183 E HA 0.253 4.600 4.350 -0.005 0.000 0.261 183 E C -2.280 174.331 176.600 0.017 0.000 1.076 183 E CA -1.419 54.990 56.400 0.014 0.000 0.905 183 E CB -0.004 29.678 29.700 -0.030 0.000 0.984 183 E HN 0.350 nan 8.360 nan 0.000 0.427 184 P HA 0.001 nan 4.420 nan 0.000 0.267 184 P C -0.666 176.622 177.300 -0.020 0.000 1.209 184 P CA 0.307 63.415 63.100 0.014 0.000 0.763 184 P CB 0.361 32.070 31.700 0.015 0.000 0.816 185 E N 0.134 120.336 120.200 0.004 0.000 2.297 185 E HA -0.167 4.180 4.350 -0.005 0.000 0.228 185 E C 0.488 177.037 176.600 -0.085 0.000 1.213 185 E CA 1.048 57.435 56.400 -0.022 0.000 0.712 185 E CB -1.944 27.683 29.700 -0.122 0.000 1.202 185 E HN 0.693 nan 8.360 nan 0.000 0.376 186 G N 0.030 108.833 108.800 0.005 0.000 2.355 186 G HA2 0.289 4.246 3.960 -0.005 0.000 0.276 186 G HA3 0.289 4.246 3.960 -0.005 0.000 0.276 186 G C -0.612 174.322 174.900 0.056 0.000 1.198 186 G CA -0.396 44.654 45.100 -0.083 0.000 0.876 186 G HN 0.104 nan 8.290 nan 0.000 0.478 187 W N 1.729 122.827 121.300 -0.336 0.000 2.632 187 W HA 0.672 5.329 4.660 -0.004 0.000 0.328 187 W C -0.643 175.646 176.519 -0.383 0.000 1.044 187 W CA -1.446 55.767 57.345 -0.220 0.000 1.225 187 W CB 1.337 30.752 29.460 -0.075 0.000 1.396 187 W HN 0.354 nan 8.180 nan 0.000 0.499 191 W N 6.601 127.951 121.300 0.083 0.000 2.345 191 W HA 0.436 5.092 4.660 -0.006 0.000 0.308 191 W C -1.396 175.146 176.519 0.038 0.000 1.273 191 W CA -0.284 57.106 57.345 0.075 0.000 1.243 191 W CB 1.115 30.628 29.460 0.090 0.000 1.260 191 W HN 0.242 nan 8.180 nan 0.000 0.509 192 V N 9.275 128.880 119.914 -0.514 0.000 2.313 192 V HA 0.165 4.282 4.120 -0.005 0.000 0.278 192 V C -1.870 173.774 176.094 -0.751 0.000 1.017 192 V CA -1.956 60.075 62.300 -0.448 0.000 0.823 192 V CB 1.132 32.807 31.823 -0.246 0.000 1.010 192 V HN 0.426 nan 8.190 nan 0.000 0.443 193 P HA 0.045 nan 4.420 nan 0.000 0.264 193 P C -1.191 175.857 177.300 -0.419 0.000 1.183 193 P CA 0.418 63.259 63.100 -0.432 0.000 0.763 193 P CB 0.073 31.639 31.700 -0.223 0.000 0.807 194 Y N 1.777 121.837 120.300 -0.399 0.000 2.386 194 Y HA 0.576 5.123 4.550 -0.005 0.000 0.334 194 Y C 0.528 176.232 175.900 -0.325 0.000 1.002 194 Y CA -0.422 57.455 58.100 -0.372 0.000 1.068 194 Y CB 1.648 39.782 38.460 -0.542 0.000 1.203 194 Y HN 0.467 nan 8.280 nan 0.000 0.443 195 G N 2.377 110.618 108.800 -0.931 0.000 3.528 195 G HA2 0.487 4.444 3.960 -0.005 0.000 0.266 195 G HA3 0.487 4.444 3.960 -0.005 0.000 0.266 195 G C 0.181 174.618 174.900 -0.772 0.000 1.004 195 G CA 0.011 44.732 45.100 -0.632 0.000 0.853 195 G HN 1.500 nan 8.290 nan 0.000 0.501 196 G N -1.211 106.612 108.800 -1.629 0.000 2.587 196 G HA2 0.458 4.415 3.960 -0.005 0.000 0.686 196 G HA3 0.458 4.415 3.960 -0.005 0.000 0.686 196 G C 0.260 175.080 174.900 -0.133 0.000 1.236 196 G CA -0.298 44.435 45.100 -0.611 0.000 0.820 196 G HN 1.027 nan 8.290 nan 0.000 0.645 197 G N -0.637 108.244 108.800 0.135 0.000 2.572 197 G HA2 0.881 4.838 3.960 -0.005 0.000 0.261 197 G HA3 0.881 4.838 3.960 -0.005 0.000 0.261 197 G C 0.299 175.331 174.900 0.221 0.000 1.197 197 G CA 0.580 45.789 45.100 0.182 0.000 0.870 197 G HN 2.228 nan 8.290 nan 0.000 0.548 198 A N 0.002 122.895 122.820 0.122 0.000 2.488 198 A HA 0.547 4.864 4.320 -0.005 0.000 0.295 198 A C -0.832 176.780 177.584 0.046 0.000 1.045 198 A CA -0.480 51.616 52.037 0.099 0.000 0.703 198 A CB 1.782 20.701 19.000 -0.134 0.000 1.271 198 A HN 1.009 nan 8.150 nan 0.000 0.400 199 V N 4.473 124.428 119.914 0.068 0.000 2.356 199 V HA 0.095 4.212 4.120 -0.005 0.000 0.258 199 V C 1.214 177.312 176.094 0.005 0.000 1.065 199 V CA 0.160 62.481 62.300 0.034 0.000 0.935 199 V CB 0.238 32.089 31.823 0.047 0.000 1.061 199 V HN 0.860 nan 8.190 nan 0.000 0.484 200 L N 4.231 125.436 121.223 -0.030 0.000 2.291 200 L HA 0.291 4.628 4.340 -0.005 0.000 0.214 200 L C 1.338 178.186 176.870 -0.037 0.000 1.120 200 L CA 1.149 55.953 54.840 -0.061 0.000 0.799 200 L CB -0.409 41.601 42.059 -0.082 0.000 0.925 200 L HN 0.913 nan 8.230 nan 0.000 0.446 201 G N 0.206 108.996 108.800 -0.017 0.000 2.298 201 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.309 201 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.309 201 G C -0.397 174.497 174.900 -0.010 0.000 1.279 201 G CA 0.011 45.105 45.100 -0.010 0.000 1.042 201 G HN 0.136 nan 8.290 nan 0.000 0.480 202 D N 0.264 120.659 120.400 -0.008 0.000 2.355 202 D HA 0.078 4.715 4.640 -0.005 0.000 0.218 202 D C 1.070 177.364 176.300 -0.011 0.000 1.004 202 D CA 1.259 55.255 54.000 -0.007 0.000 0.880 202 D CB 0.225 41.023 40.800 -0.005 0.000 0.911 202 D HN 0.960 nan 8.370 nan 0.000 0.528 203 R N -1.115 119.375 120.500 -0.016 0.000 2.762 203 R HA 0.427 4.765 4.340 -0.005 0.000 0.271 203 R C -1.071 175.212 176.300 -0.029 0.000 1.038 203 R CA -0.941 55.147 56.100 -0.020 0.000 0.906 203 R CB 0.543 30.832 30.300 -0.017 0.000 1.259 203 R HN -0.090 nan 8.270 nan 0.000 0.457 204 L N 1.543 122.747 121.223 -0.031 0.000 2.417 204 L HA 0.318 4.655 4.340 -0.005 0.000 0.268 204 L C -1.844 175.000 176.870 -0.044 0.000 1.158 204 L CA -1.967 52.847 54.840 -0.042 0.000 0.819 204 L CB 0.713 42.749 42.059 -0.038 0.000 1.112 204 L HN 0.446 nan 8.230 nan 0.000 0.458 205 P HA -0.009 nan 4.420 nan 0.000 0.258 205 P C -2.268 175.007 177.300 -0.043 0.000 1.172 205 P CA -0.591 62.475 63.100 -0.056 0.000 0.762 205 P CB -0.351 31.302 31.700 -0.078 0.000 0.764 206 P HA -0.037 nan 4.420 nan 0.000 0.266 206 P C -0.295 176.988 177.300 -0.028 0.000 1.195 206 P CA 0.116 63.200 63.100 -0.027 0.000 0.768 206 P CB 0.430 32.118 31.700 -0.020 0.000 0.838 207 V N 5.679 125.577 119.914 -0.025 0.000 2.540 207 V HA 0.054 4.171 4.120 -0.005 0.000 0.297 207 V C -1.102 174.979 176.094 -0.023 0.000 1.024 207 V CA -0.667 61.618 62.300 -0.025 0.000 1.105 207 V CB -0.257 31.553 31.823 -0.022 0.000 0.938 207 V HN 0.681 nan 8.190 nan 0.000 0.482 208 P HA 0.267 nan 4.420 nan 0.000 0.274 208 P C 0.568 177.856 177.300 -0.021 0.000 1.237 208 P CA -0.246 62.841 63.100 -0.022 0.000 0.793 208 P CB 1.217 32.902 31.700 -0.026 0.000 0.977 209 A N 3.463 126.273 122.820 -0.017 0.000 1.859 209 A HA -0.174 4.143 4.320 -0.005 0.000 0.217 209 A C 1.123 178.695 177.584 -0.021 0.000 1.198 209 A CA 1.395 53.423 52.037 -0.015 0.000 0.629 209 A CB -0.616 18.378 19.000 -0.010 0.000 0.830 209 A HN 0.631 nan 8.150 nan 0.000 0.446 210 R N -0.480 120.004 120.500 -0.026 0.000 2.589 210 R HA 0.472 4.809 4.340 -0.005 0.000 0.293 210 R C -2.959 173.311 176.300 -0.050 0.000 0.963 210 R CA -2.207 53.871 56.100 -0.037 0.000 0.905 210 R CB 1.017 31.293 30.300 -0.040 0.000 1.144 210 R HN 0.122 nan 8.270 nan 0.000 0.459 211 P HA 0.010 nan 4.420 nan 0.000 0.267 211 P C -0.913 176.329 177.300 -0.096 0.000 1.205 211 P CA 0.094 63.156 63.100 -0.063 0.000 0.765 211 P CB 0.661 32.328 31.700 -0.055 0.000 0.828 212 E N 0.805 120.948 120.200 -0.095 0.000 2.232 212 E HA 0.431 4.778 4.350 -0.005 0.000 0.265 212 E C -0.675 175.827 176.600 -0.163 0.000 1.001 212 E CA -1.119 55.198 56.400 -0.138 0.000 0.870 212 E CB 1.162 30.815 29.700 -0.079 0.000 1.175 212 E HN 0.095 nan 8.360 nan 0.000 0.407 213 V N 1.541 121.292 119.914 -0.272 0.000 2.370 213 V HA 0.432 4.549 4.120 -0.005 0.000 0.279 213 V C -0.073 176.034 176.094 0.023 0.000 1.029 213 V CA -0.796 61.392 62.300 -0.187 0.000 0.870 213 V CB 1.046 32.622 31.823 -0.411 0.000 0.984 213 V HN 0.734 nan 8.190 nan 0.000 0.451 214 A N 6.416 129.275 122.820 0.065 0.000 2.328 214 A HA 0.778 5.095 4.320 -0.005 0.000 0.284 214 A C -0.357 177.325 177.584 0.165 0.000 1.160 214 A CA -0.291 51.810 52.037 0.107 0.000 0.818 214 A CB 0.070 19.112 19.000 0.070 0.000 1.087 214 A HN 0.811 nan 8.150 nan 0.000 0.504 215 I N 2.568 123.240 120.570 0.170 0.000 2.390 215 I HA 0.372 4.539 4.170 -0.005 0.000 0.283 215 I C 0.379 176.576 176.117 0.134 0.000 1.016 215 I CA -0.001 61.396 61.300 0.161 0.000 1.151 215 I CB 1.729 39.813 38.000 0.139 0.000 1.293 215 I HN 0.683 nan 8.210 nan 0.000 0.458 219 T N -0.215 114.328 114.554 -0.018 0.000 2.969 219 T HA -0.129 4.218 4.350 -0.005 0.000 0.271 219 T C 2.028 176.704 174.700 -0.040 0.000 1.127 219 T CA 1.919 63.993 62.100 -0.044 0.000 1.102 219 T CB -0.402 68.407 68.868 -0.097 0.000 0.855 219 T HN 0.506 nan 8.240 nan 0.000 0.536 220 I N -0.075 120.475 120.570 -0.034 0.000 2.927 220 I HA 0.199 4.366 4.170 -0.005 0.000 0.268 220 I C 2.457 178.571 176.117 -0.006 0.000 1.153 220 I CA 0.239 61.526 61.300 -0.020 0.000 1.459 220 I CB -0.325 37.659 38.000 -0.026 0.000 1.149 220 I HN 0.124 nan 8.210 nan 0.000 0.443 221 E N 1.631 121.843 120.200 0.021 0.000 2.204 221 E HA -0.097 4.250 4.350 -0.005 0.000 0.194 221 E C 2.248 178.892 176.600 0.074 0.000 0.989 221 E CA 0.856 57.306 56.400 0.084 0.000 0.824 221 E CB -0.020 29.756 29.700 0.127 0.000 0.756 221 E HN 0.450 nan 8.360 nan 0.000 0.477 222 L N 0.903 122.131 121.223 0.009 0.000 2.056 222 L HA -0.226 4.111 4.340 -0.005 0.000 0.207 222 L C 2.490 179.377 176.870 0.027 0.000 1.078 222 L CA 1.303 56.154 54.840 0.020 0.000 0.749 222 L CB -0.115 41.942 42.059 -0.003 0.000 0.901 222 L HN 0.149 nan 8.230 nan 0.000 0.433 223 Q N -0.801 118.997 119.800 -0.004 0.000 2.096 223 Q HA -0.243 4.094 4.340 -0.005 0.000 0.204 223 Q C 2.307 178.279 176.000 -0.046 0.000 0.982 223 Q CA 1.755 57.549 55.803 -0.016 0.000 0.850 223 Q CB -0.271 28.455 28.738 -0.019 0.000 0.901 223 Q HN 0.609 nan 8.270 nan 0.000 0.422 224 A N 0.058 122.806 122.820 -0.119 0.000 1.873 224 A HA -0.108 4.209 4.320 -0.005 0.000 0.215 224 A C 1.660 179.065 177.584 -0.299 0.000 1.186 224 A CA 1.133 52.999 52.037 -0.286 0.000 0.616 224 A CB -0.554 18.137 19.000 -0.514 0.000 0.823 224 A HN 0.350 nan 8.150 nan 0.000 0.442 225 F N -0.793 119.201 119.950 0.074 0.000 2.619 225 F HA 0.373 4.897 4.527 -0.005 0.000 0.293 225 F C 1.714 177.551 175.800 0.061 0.000 1.119 225 F CA 0.497 58.547 58.000 0.084 0.000 1.445 225 F CB -0.039 39.047 39.000 0.144 0.000 1.119 225 F HN 0.507 nan 8.300 nan 0.000 0.573 226 G N 1.619 110.530 108.800 0.185 0.000 2.750 226 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.228 226 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.228 226 G C 0.350 175.322 174.900 0.120 0.000 1.367 226 G CA -0.152 45.018 45.100 0.117 0.000 0.871 226 G HN 0.284 nan 8.290 nan 0.000 0.560 227 I N -0.619 119.999 120.570 0.081 0.000 3.111 227 I HA 0.295 4.462 4.170 -0.005 0.000 0.272 227 I C 2.606 178.763 176.117 0.067 0.000 1.268 227 I CA 1.598 62.937 61.300 0.066 0.000 1.467 227 I CB -1.148 36.879 38.000 0.045 0.000 1.087 227 I HN 0.911 nan 8.210 nan 0.000 0.467 228 G N 1.436 110.282 108.800 0.076 0.000 2.513 228 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.219 228 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.219 228 G C 1.831 176.763 174.900 0.054 0.000 1.160 228 G CA 1.394 46.532 45.100 0.063 0.000 0.767 228 G HN 0.606 nan 8.290 nan 0.000 0.571 229 A N 0.045 122.910 122.820 0.076 0.000 1.917 229 A HA -0.045 4.272 4.320 -0.005 0.000 0.219 229 A C 2.645 180.256 177.584 0.044 0.000 1.182 229 A CA 2.633 54.702 52.037 0.052 0.000 0.633 229 A CB -0.708 18.352 19.000 0.099 0.000 0.819 229 A HN 0.541 nan 8.150 nan 0.000 0.448 230 V N -0.711 119.237 119.914 0.056 0.000 2.379 230 V HA -0.228 3.889 4.120 -0.005 0.000 0.245 230 V C 2.168 178.268 176.094 0.009 0.000 1.044 230 V CA 1.854 64.178 62.300 0.040 0.000 1.036 230 V CB -1.188 30.660 31.823 0.043 0.000 0.664 230 V HN 0.595 nan 8.190 nan 0.000 0.453 231 E N 0.659 120.863 120.200 0.008 0.000 2.082 231 E HA -0.265 4.082 4.350 -0.005 0.000 0.215 231 E C -0.064 176.522 176.600 -0.023 0.000 1.048 231 E CA 2.509 58.905 56.400 -0.007 0.000 0.869 231 E CB -1.365 28.335 29.700 -0.000 0.000 0.773 231 E HN 0.509 nan 8.360 nan 0.000 0.466 232 P HA -0.150 nan 4.420 nan 0.000 0.220 232 P C 1.042 178.311 177.300 -0.051 0.000 1.144 232 P CA 1.205 64.285 63.100 -0.034 0.000 0.800 232 P CB 0.029 31.711 31.700 -0.030 0.000 0.772 233 I N -1.775 118.765 120.570 -0.050 0.000 2.339 233 I HA -0.114 4.053 4.170 -0.005 0.000 0.245 233 I C 2.165 178.202 176.117 -0.133 0.000 1.096 233 I CA 0.827 62.082 61.300 -0.075 0.000 1.408 233 I CB -0.295 37.681 38.000 -0.040 0.000 1.092 233 I HN -0.173 nan 8.210 nan 0.000 0.423 234 I N 0.894 121.400 120.570 -0.107 0.000 2.226 234 I HA -0.302 3.866 4.170 -0.005 0.000 0.245 234 I C 2.780 178.810 176.117 -0.144 0.000 1.100 234 I CA 1.375 62.593 61.300 -0.138 0.000 1.374 234 I CB -0.483 37.474 38.000 -0.071 0.000 1.057 234 I HN 0.182 nan 8.210 nan 0.000 0.413 235 A N 0.830 123.592 122.820 -0.096 0.000 1.908 235 A HA -0.217 4.100 4.320 -0.005 0.000 0.218 235 A C 2.565 180.088 177.584 -0.101 0.000 1.181 235 A CA 2.044 54.034 52.037 -0.079 0.000 0.627 235 A CB -0.921 18.048 19.000 -0.052 0.000 0.818 235 A HN 0.440 nan 8.150 nan 0.000 0.445 236 A N -0.104 122.646 122.820 -0.117 0.000 1.883 236 A HA 0.104 4.421 4.320 -0.005 0.000 0.217 236 A C 2.557 180.027 177.584 -0.190 0.000 1.186 236 A CA 2.415 54.380 52.037 -0.121 0.000 0.624 236 A CB -1.202 17.733 19.000 -0.107 0.000 0.822 236 A HN 1.176 nan 8.150 nan 0.000 0.444 237 A N -0.524 122.077 122.820 -0.365 0.000 1.917 237 A HA 0.049 4.366 4.320 -0.005 0.000 0.219 237 A C 2.320 179.678 177.584 -0.377 0.000 1.182 237 A CA 1.940 53.525 52.037 -0.754 0.000 0.633 237 A CB -1.454 16.780 19.000 -1.276 0.000 0.819 237 A HN 0.953 nan 8.150 nan 0.000 0.448 238 G N -1.432 107.244 108.800 -0.207 0.000 2.708 238 G HA2 0.051 4.008 3.960 -0.005 0.000 0.210 238 G HA3 0.051 4.008 3.960 -0.005 0.000 0.210 238 G C 0.878 175.766 174.900 -0.020 0.000 1.141 238 G CA 0.995 46.055 45.100 -0.067 0.000 0.788 238 G HN 0.494 nan 8.290 nan 0.000 0.531 239 E N -0.273 119.911 120.200 -0.028 0.000 2.685 239 E HA 0.338 4.685 4.350 -0.005 0.000 0.208 239 E C -0.341 176.282 176.600 0.038 0.000 0.996 239 E CA -0.212 56.189 56.400 0.003 0.000 1.054 239 E CB 0.651 30.343 29.700 -0.014 0.000 1.075 239 E HN 0.043 nan 8.360 nan 0.000 0.460 240 V N 0.470 120.440 119.914 0.092 0.000 2.914 240 V HA 0.272 4.389 4.120 -0.005 0.000 0.314 240 V C -0.390 175.811 176.094 0.180 0.000 1.084 240 V CA -1.087 61.314 62.300 0.168 0.000 0.963 240 V CB 2.047 34.051 31.823 0.303 0.000 1.025 240 V HN -0.009 nan 8.190 nan 0.000 0.432 241 D N 2.636 123.104 120.400 0.114 0.000 2.713 241 D HA 0.589 5.226 4.640 -0.005 0.000 0.229 241 D C -0.139 176.175 176.300 0.023 0.000 1.136 241 D CA 0.469 54.506 54.000 0.061 0.000 1.010 241 D CB 0.082 40.902 40.800 0.033 0.000 1.084 241 D HN 0.887 nan 8.370 nan 0.000 0.495 242 A N 1.796 124.629 122.820 0.021 0.000 2.597 242 A HA 0.465 4.782 4.320 -0.005 0.000 0.292 242 A C -1.444 176.037 177.584 -0.171 0.000 1.057 242 A CA -0.951 50.991 52.037 -0.158 0.000 0.674 242 A CB 1.062 19.837 19.000 -0.375 0.000 1.278 242 A HN 0.152 nan 8.150 nan 0.000 0.416 243 D N 0.519 120.778 120.400 -0.234 0.000 2.198 243 D HA 0.655 5.292 4.640 -0.005 0.000 0.245 243 D C -0.972 175.151 176.300 -0.296 0.000 1.079 243 D CA 0.605 54.530 54.000 -0.125 0.000 0.854 243 D CB 0.673 41.442 40.800 -0.052 0.000 1.148 243 D HN 0.285 nan 8.370 nan 0.000 0.456 244 F N 0.703 120.658 119.950 0.007 0.000 2.458 244 F HA 0.504 5.029 4.527 -0.003 0.000 0.330 244 F C 0.226 176.033 175.800 0.011 0.000 1.082 244 F CA -1.107 56.899 58.000 0.011 0.000 0.995 244 F CB 1.678 40.687 39.000 0.014 0.000 1.170 244 F HN -0.023 nan 8.300 nan 0.000 0.478 245 V N 4.638 124.660 119.914 0.181 0.000 2.540 245 V HA 0.577 4.694 4.120 -0.005 0.000 0.302 245 V C -1.531 174.635 176.094 0.120 0.000 1.035 245 V CA -0.798 61.569 62.300 0.111 0.000 0.873 245 V CB 1.852 33.705 31.823 0.048 0.000 0.992 245 V HN 0.628 nan 8.190 nan 0.000 0.428 246 L N 6.945 128.225 121.223 0.095 0.000 2.277 246 L HA 0.798 5.135 4.340 -0.005 0.000 0.284 246 L C 0.374 177.288 176.870 0.073 0.000 1.028 246 L CA 0.115 55.006 54.840 0.086 0.000 0.835 246 L CB 1.215 43.316 42.059 0.071 0.000 1.215 246 L HN 0.771 nan 8.230 nan 0.000 0.425 247 A N 6.592 129.460 122.820 0.080 0.000 2.880 247 A HA 0.450 4.767 4.320 -0.005 0.000 0.328 247 A C 0.162 177.808 177.584 0.103 0.000 1.440 247 A CA -0.368 51.721 52.037 0.087 0.000 1.068 247 A CB -0.458 18.587 19.000 0.076 0.000 1.163 247 A HN 0.758 nan 8.150 nan 0.000 0.510 248 L N 2.343 123.621 121.223 0.092 0.000 2.928 248 L HA 0.329 4.666 4.340 -0.005 0.000 0.236 248 L C 1.439 178.364 176.870 0.092 0.000 1.290 248 L CA 0.285 55.172 54.840 0.078 0.000 1.099 248 L CB -1.037 41.054 42.059 0.054 0.000 1.437 248 L HN 0.940 nan 8.230 nan 0.000 0.493 249 G N 1.108 110.004 108.800 0.160 0.000 2.550 249 G HA2 -0.331 3.626 3.960 -0.005 0.000 0.277 249 G HA3 -0.331 3.626 3.960 -0.005 0.000 0.277 249 G C 0.047 175.041 174.900 0.156 0.000 1.190 249 G CA 0.281 45.493 45.100 0.188 0.000 0.971 249 G HN 0.402 nan 8.290 nan 0.000 0.559 250 D N 0.377 120.825 120.400 0.080 0.000 2.643 250 D HA 0.444 5.081 4.640 -0.005 0.000 0.244 250 D C 0.560 176.882 176.300 0.036 0.000 1.257 250 D CA -0.232 53.810 54.000 0.069 0.000 0.831 250 D CB 0.173 41.008 40.800 0.059 0.000 1.043 250 D HN 0.484 nan 8.370 nan 0.000 0.488 251 L N 0.358 121.602 121.223 0.035 0.000 2.395 251 L HA 0.199 4.536 4.340 -0.005 0.000 0.269 251 L C 0.426 177.314 176.870 0.029 0.000 1.133 251 L CA -0.373 54.481 54.840 0.024 0.000 0.812 251 L CB 0.898 42.970 42.059 0.021 0.000 1.125 251 L HN -0.082 nan 8.230 nan 0.000 0.452 252 D N 3.655 124.068 120.400 0.023 0.000 2.402 252 D HA -0.041 4.596 4.640 -0.005 0.000 0.268 252 D C 1.026 177.341 176.300 0.024 0.000 1.294 252 D CA 0.307 54.320 54.000 0.022 0.000 0.945 252 D CB 0.645 41.456 40.800 0.018 0.000 1.112 252 D HN 0.467 nan 8.370 nan 0.000 0.517 253 I N 2.623 123.209 120.570 0.026 0.000 2.928 253 I HA -0.155 4.012 4.170 -0.005 0.000 0.266 253 I C 2.539 178.669 176.117 0.022 0.000 1.234 253 I CA 0.187 61.504 61.300 0.027 0.000 1.483 253 I CB -0.158 37.860 38.000 0.030 0.000 1.097 253 I HN 0.242 nan 8.210 nan 0.000 0.455 254 S N 1.629 117.341 115.700 0.020 0.000 2.353 254 S HA -0.086 4.381 4.470 -0.005 0.000 0.222 254 S C -0.230 174.379 174.600 0.016 0.000 1.035 254 S CA 1.736 59.946 58.200 0.017 0.000 1.025 254 S CB -1.161 62.048 63.200 0.015 0.000 0.902 254 S HN 0.355 nan 8.310 nan 0.000 0.440 255 P HA -0.050 nan 4.420 nan 0.000 0.229 255 P C 1.074 178.383 177.300 0.016 0.000 1.150 255 P CA 0.718 63.827 63.100 0.016 0.000 0.765 255 P CB -0.167 31.544 31.700 0.018 0.000 0.783 256 L N -1.445 119.788 121.223 0.017 0.000 2.056 256 L HA 0.059 4.396 4.340 -0.005 0.000 0.207 256 L C 1.551 178.427 176.870 0.010 0.000 1.078 256 L CA 1.544 56.393 54.840 0.015 0.000 0.749 256 L CB -0.911 41.158 42.059 0.016 0.000 0.901 256 L HN 0.196 nan 8.230 nan 0.000 0.433 257 G N -1.487 107.319 108.800 0.010 0.000 2.331 257 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.479 257 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.479 257 G C -0.511 174.393 174.900 0.008 0.000 1.262 257 G CA -0.308 44.797 45.100 0.008 0.000 1.029 257 G HN -0.153 nan 8.290 nan 0.000 0.487 258 T N 0.798 115.355 114.554 0.006 0.000 2.776 258 T HA 0.455 4.802 4.350 -0.005 0.000 0.292 258 T C 0.634 175.337 174.700 0.005 0.000 0.921 258 T CA -0.212 61.892 62.100 0.007 0.000 1.038 258 T CB -0.266 68.606 68.868 0.006 0.000 0.910 258 T HN 0.966 nan 8.240 nan 0.000 0.536 259 L N 8.623 129.850 121.223 0.007 0.000 2.559 259 L HA 0.266 4.603 4.340 -0.005 0.000 0.282 259 L C -1.791 175.082 176.870 0.005 0.000 1.232 259 L CA -0.929 53.915 54.840 0.006 0.000 0.885 259 L CB -0.024 42.044 42.059 0.014 0.000 1.131 259 L HN 0.503 nan 8.230 nan 0.000 0.498 260 P HA 0.024 nan 4.420 nan 0.000 0.264 260 P C 0.246 177.557 177.300 0.019 0.000 1.179 260 P CA 0.143 63.243 63.100 -0.000 0.000 0.763 260 P CB 0.415 32.102 31.700 -0.022 0.000 0.806 261 R N 2.273 122.787 120.500 0.023 0.000 2.200 261 R HA -0.140 4.197 4.340 -0.005 0.000 0.234 261 R C 1.344 177.673 176.300 0.049 0.000 1.127 261 R CA 1.389 57.507 56.100 0.031 0.000 0.989 261 R CB -0.327 29.989 30.300 0.026 0.000 0.869 261 R HN 0.582 nan 8.270 nan 0.000 0.459 262 N N -0.754 117.989 118.700 0.071 0.000 2.238 262 N HA 0.011 4.748 4.740 -0.005 0.000 0.222 262 N C -0.903 174.711 175.510 0.174 0.000 1.133 262 N CA 0.018 53.137 53.050 0.116 0.000 0.854 262 N CB 0.804 39.378 38.487 0.146 0.000 1.041 262 N HN -0.138 nan 8.380 nan 0.000 0.510 263 V N 1.943 121.927 119.914 0.117 0.000 2.444 263 V HA 0.435 4.553 4.120 -0.005 0.000 0.294 263 V C -0.122 176.022 176.094 0.083 0.000 1.022 263 V CA -0.958 61.417 62.300 0.126 0.000 0.850 263 V CB 1.360 33.213 31.823 0.050 0.000 0.992 263 V HN 0.345 nan 8.190 nan 0.000 0.426 264 R N 3.849 124.401 120.500 0.087 0.000 2.562 264 R HA 0.901 5.238 4.340 -0.005 0.000 0.298 264 R C -0.315 176.018 176.300 0.055 0.000 0.961 264 R CA -0.497 55.638 56.100 0.057 0.000 0.881 264 R CB 1.963 32.289 30.300 0.045 0.000 1.159 264 R HN 0.632 nan 8.270 nan 0.000 0.450 265 A N 2.512 125.358 122.820 0.044 0.000 2.332 265 A HA 0.555 4.872 4.320 -0.005 0.000 0.258 265 A C -0.489 177.118 177.584 0.037 0.000 1.087 265 A CA -0.602 51.461 52.037 0.044 0.000 0.802 265 A CB 1.240 20.264 19.000 0.040 0.000 1.042 265 A HN 0.500 nan 8.150 nan 0.000 0.489 266 V N 0.679 120.617 119.914 0.040 0.000 2.808 266 V HA 0.565 4.682 4.120 -0.005 0.000 0.308 266 V C 0.831 176.951 176.094 0.043 0.000 1.099 266 V CA -0.052 62.265 62.300 0.028 0.000 0.920 266 V CB 1.991 33.820 31.823 0.010 0.000 1.014 266 V HN 1.422 nan 8.190 nan 0.000 0.425 267 G N 2.431 111.256 108.800 0.042 0.000 2.690 267 G HA2 0.152 4.109 3.960 -0.005 0.000 0.239 267 G HA3 0.152 4.109 3.960 -0.005 0.000 0.239 267 G C -0.597 174.361 174.900 0.097 0.000 1.233 267 G CA -0.112 45.036 45.100 0.079 0.000 0.847 267 G HN 0.847 nan 8.290 nan 0.000 0.588 268 W N 1.841 123.135 121.300 -0.009 0.000 2.210 268 W HA 0.453 5.111 4.660 -0.003 0.000 0.330 268 W C 0.504 177.004 176.519 -0.031 0.000 1.334 268 W CA 0.323 57.658 57.345 -0.016 0.000 1.227 268 W CB 0.509 29.962 29.460 -0.012 0.000 1.178 268 W HN 0.687 nan 8.180 nan 0.000 0.560 269 T N 3.943 117.804 114.554 -1.155 0.000 2.883 269 T HA 0.481 4.828 4.350 -0.005 0.000 0.301 269 T C -2.762 170.982 174.700 -1.593 0.000 1.158 269 T CA -2.253 59.040 62.100 -1.345 0.000 1.007 269 T CB 1.477 69.970 68.868 -0.625 0.000 1.186 269 T HN 0.142 nan 8.240 nan 0.000 0.499 270 P HA 0.077 nan 4.420 nan 0.000 0.265 270 P C 0.959 177.978 177.300 -0.468 0.000 1.187 270 P CA -0.453 62.249 63.100 -0.663 0.000 0.766 270 P CB 0.386 31.718 31.700 -0.612 0.000 0.820 271 L N 4.480 125.610 121.223 -0.156 0.000 2.013 271 L HA -0.240 4.097 4.340 -0.005 0.000 0.212 271 L C 2.417 179.241 176.870 -0.077 0.000 1.073 271 L CA 1.986 56.792 54.840 -0.057 0.000 0.753 271 L CB -1.309 40.798 42.059 0.080 0.000 0.890 271 L HN 0.565 nan 8.230 nan 0.000 0.432 272 H N -3.033 116.013 119.070 -0.041 0.000 2.456 272 H HA -0.085 4.468 4.556 -0.006 0.000 0.296 272 H C 1.712 177.007 175.328 -0.056 0.000 1.079 272 H CA 1.572 57.607 56.048 -0.022 0.000 1.322 272 H CB -1.181 28.584 29.762 0.004 0.000 1.388 272 H HN 0.335 nan 8.280 nan 0.000 0.538 273 T N 1.963 116.148 114.554 -0.615 0.000 2.737 273 T HA -0.085 4.262 4.350 -0.005 0.000 0.265 273 T C 2.233 176.800 174.700 -0.223 0.000 1.038 273 T CA 1.153 63.015 62.100 -0.397 0.000 1.144 273 T CB -0.355 68.229 68.868 -0.474 0.000 0.866 273 T HN 0.209 nan 8.240 nan 0.000 0.434 274 L N 0.872 121.961 121.223 -0.223 0.000 2.083 274 L HA 0.094 4.431 4.340 -0.005 0.000 0.209 274 L C 1.950 178.774 176.870 -0.076 0.000 1.083 274 L CA 1.562 56.318 54.840 -0.141 0.000 0.752 274 L CB -0.490 41.489 42.059 -0.133 0.000 0.899 274 L HN 0.238 nan 8.230 nan 0.000 0.433 275 L N -0.336 120.856 121.223 -0.051 0.000 2.552 275 L HA -0.052 4.285 4.340 -0.005 0.000 0.227 275 L C 2.489 179.352 176.870 -0.010 0.000 1.146 275 L CA 0.492 55.324 54.840 -0.013 0.000 0.858 275 L CB -0.536 41.533 42.059 0.018 0.000 0.969 275 L HN 0.374 nan 8.230 nan 0.000 0.451 276 R N -0.326 120.162 120.500 -0.020 0.000 2.237 276 R HA -0.090 4.247 4.340 -0.005 0.000 0.219 276 R C 1.676 177.964 176.300 -0.020 0.000 1.080 276 R CA 1.537 57.630 56.100 -0.011 0.000 0.995 276 R CB -0.910 29.385 30.300 -0.009 0.000 0.875 276 R HN 0.325 nan 8.270 nan 0.000 0.462 277 T N -3.168 111.368 114.554 -0.030 0.000 3.092 277 T HA 0.287 4.634 4.350 -0.005 0.000 0.258 277 T C 0.418 175.097 174.700 -0.034 0.000 1.031 277 T CA -0.625 61.456 62.100 -0.032 0.000 0.925 277 T CB -0.091 68.754 68.868 -0.038 0.000 1.036 277 T HN 0.157 nan 8.240 nan 0.000 0.544 278 C N 0.599 119.881 119.300 -0.029 0.000 2.399 278 C HA 0.705 5.162 4.460 -0.005 0.000 0.348 278 C C 1.857 176.828 174.990 -0.033 0.000 1.183 278 C CA -0.485 58.513 59.018 -0.033 0.000 2.023 278 C CB 1.523 29.252 27.740 -0.019 0.000 2.361 278 C HN 0.542 nan 8.230 nan 0.000 0.521 279 T N 0.065 114.590 114.554 -0.048 0.000 2.990 279 T HA 0.485 4.832 4.350 -0.005 0.000 0.250 279 T C 0.153 174.832 174.700 -0.035 0.000 1.041 279 T CA 0.904 62.976 62.100 -0.047 0.000 1.010 279 T CB 0.055 68.881 68.868 -0.069 0.000 1.003 279 T HN 0.962 nan 8.240 nan 0.000 0.499 280 A N -0.309 122.494 122.820 -0.028 0.000 2.566 280 A HA 0.720 5.037 4.320 -0.005 0.000 0.290 280 A C -1.926 175.679 177.584 0.034 0.000 1.071 280 A CA -0.543 51.495 52.037 0.002 0.000 0.658 280 A CB 1.253 20.251 19.000 -0.004 0.000 1.285 280 A HN 0.279 nan 8.150 nan 0.000 0.427 281 V N 0.258 120.220 119.914 0.080 0.000 2.851 281 V HA 0.665 4.782 4.120 -0.005 0.000 0.307 281 V C -1.513 174.687 176.094 0.176 0.000 1.129 281 V CA -0.440 61.941 62.300 0.135 0.000 0.932 281 V CB 1.977 33.890 31.823 0.149 0.000 1.024 281 V HN 1.106 nan 8.190 nan 0.000 0.426 282 V N 7.354 127.376 119.914 0.180 0.000 2.384 282 V HA 0.704 4.821 4.120 -0.005 0.000 0.287 282 V C -0.316 175.895 176.094 0.194 0.000 1.020 282 V CA -0.131 62.247 62.300 0.129 0.000 0.850 282 V CB 1.289 33.184 31.823 0.119 0.000 0.987 282 V HN 1.218 nan 8.190 nan 0.000 0.436 283 H N 1.091 120.224 119.070 0.104 0.000 2.947 283 H HA 0.565 5.118 4.556 -0.005 0.000 0.290 283 H C 0.270 175.714 175.328 0.194 0.000 1.430 283 H CA -0.724 55.417 56.048 0.156 0.000 1.189 283 H CB 1.011 30.851 29.762 0.130 0.000 1.875 283 H HN 0.282 nan 8.280 nan 0.000 0.568 284 H N -0.558 118.646 119.070 0.223 0.000 2.502 284 H HA 0.234 4.786 4.556 -0.005 0.000 0.283 284 H C 1.232 176.645 175.328 0.140 0.000 1.015 284 H CA 1.757 57.886 56.048 0.137 0.000 1.298 284 H CB 0.222 30.088 29.762 0.173 0.000 1.411 284 H HN 0.975 nan 8.280 nan 0.000 0.556 285 G N -0.922 108.135 108.800 0.428 0.000 2.148 285 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.157 285 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.157 285 G C 0.685 175.763 174.900 0.296 0.000 1.012 285 G CA -0.083 45.183 45.100 0.277 0.000 0.677 285 G HN 0.705 nan 8.290 nan 0.000 0.506 286 G N -0.252 108.733 108.800 0.307 0.000 2.491 286 G HA2 0.526 4.483 3.960 -0.005 0.000 0.238 286 G HA3 0.526 4.483 3.960 -0.005 0.000 0.238 286 G C 1.365 176.368 174.900 0.172 0.000 1.277 286 G CA 0.315 45.542 45.100 0.212 0.000 0.851 286 G HN 1.163 nan 8.290 nan 0.000 0.573 287 G N 1.080 109.971 108.800 0.151 0.000 2.442 287 G HA2 -0.073 3.884 3.960 -0.005 0.000 0.219 287 G HA3 -0.073 3.884 3.960 -0.005 0.000 0.219 287 G C 1.778 176.674 174.900 -0.007 0.000 1.141 287 G CA 1.453 46.652 45.100 0.165 0.000 0.763 287 G HN 0.940 nan 8.290 nan 0.000 0.554 288 G N 0.510 109.293 108.800 -0.028 0.000 2.480 288 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.216 288 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.216 288 G C 1.876 176.727 174.900 -0.081 0.000 1.200 288 G CA 1.883 46.943 45.100 -0.066 0.000 0.782 288 G HN 0.387 nan 8.290 nan 0.000 0.554 289 T N 0.851 115.384 114.554 -0.035 0.000 2.720 289 T HA -0.028 4.319 4.350 -0.005 0.000 0.268 289 T C 1.625 176.158 174.700 -0.278 0.000 1.037 289 T CA 0.690 62.676 62.100 -0.190 0.000 1.144 289 T CB -0.295 68.319 68.868 -0.423 0.000 0.864 289 T HN 0.050 nan 8.240 nan 0.000 0.444 293 A N 2.012 124.824 122.820 -0.013 0.000 1.902 293 A HA 0.041 4.358 4.320 -0.005 0.000 0.217 293 A C 2.092 179.672 177.584 -0.007 0.000 1.181 293 A CA 1.341 53.374 52.037 -0.006 0.000 0.623 293 A CB -0.711 18.284 19.000 -0.009 0.000 0.818 293 A HN 0.433 nan 8.150 nan 0.000 0.443 294 I N 0.455 120.997 120.570 -0.046 0.000 2.208 294 I HA -0.230 3.937 4.170 -0.005 0.000 0.245 294 I C 2.126 178.250 176.117 0.013 0.000 1.097 294 I CA 2.232 63.506 61.300 -0.045 0.000 1.363 294 I CB -1.352 36.585 38.000 -0.105 0.000 1.051 294 I HN 0.477 nan 8.210 nan 0.000 0.413 295 D N 0.879 121.318 120.400 0.066 0.000 2.219 295 D HA -0.103 4.534 4.640 -0.005 0.000 0.205 295 D C 2.041 178.384 176.300 0.072 0.000 0.970 295 D CA 1.183 55.246 54.000 0.105 0.000 0.851 295 D CB 0.197 41.114 40.800 0.195 0.000 0.943 295 D HN 0.267 nan 8.370 nan 0.000 0.488 296 A N -0.437 122.419 122.820 0.061 0.000 2.167 296 A HA 0.339 4.656 4.320 -0.005 0.000 0.214 296 A C 1.960 179.558 177.584 0.022 0.000 1.151 296 A CA 0.974 53.037 52.037 0.042 0.000 0.735 296 A CB -0.788 18.235 19.000 0.039 0.000 0.802 296 A HN 0.464 nan 8.150 nan 0.000 0.467 297 G N -0.071 108.738 108.800 0.016 0.000 2.258 297 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.274 297 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.274 297 G C 0.204 175.103 174.900 -0.003 0.000 1.021 297 G CA 0.711 45.813 45.100 0.002 0.000 0.798 297 G HN 1.376 nan 8.290 nan 0.000 0.507 298 I N -2.619 117.951 120.570 0.001 0.000 2.607 298 I HA 0.786 4.953 4.170 -0.005 0.000 0.305 298 I C -1.944 174.173 176.117 0.001 0.000 0.995 298 I CA -3.277 58.023 61.300 -0.000 0.000 1.148 298 I CB 1.983 39.986 38.000 0.005 0.000 1.323 298 I HN -0.111 nan 8.210 nan 0.000 0.461 299 P HA 0.142 nan 4.420 nan 0.000 0.272 299 P C -1.606 175.708 177.300 0.023 0.000 1.230 299 P CA -0.083 63.018 63.100 0.001 0.000 0.788 299 P CB 0.779 32.477 31.700 -0.005 0.000 0.949 300 Q N 0.614 120.430 119.800 0.026 0.000 2.456 300 Q HA 0.676 5.013 4.340 -0.005 0.000 0.283 300 Q C -1.885 174.115 176.000 0.001 0.000 1.084 300 Q CA -1.234 54.603 55.803 0.057 0.000 0.801 300 Q CB 1.817 30.643 28.738 0.146 0.000 1.434 300 Q HN 0.258 nan 8.270 nan 0.000 0.419 301 L N 1.957 123.163 121.223 -0.029 0.000 2.343 301 L HA 0.457 4.794 4.340 -0.005 0.000 0.278 301 L C -1.885 174.837 176.870 -0.246 0.000 0.996 301 L CA -0.615 54.170 54.840 -0.093 0.000 0.831 301 L CB 1.592 43.627 42.059 -0.040 0.000 1.232 301 L HN 0.723 nan 8.230 nan 0.000 0.413 302 L N 5.978 127.045 121.223 -0.261 0.000 2.295 302 L HA 0.640 4.977 4.340 -0.005 0.000 0.288 302 L C 0.399 177.134 176.870 -0.224 0.000 1.079 302 L CA 0.398 55.035 54.840 -0.338 0.000 0.830 302 L CB 1.159 43.083 42.059 -0.225 0.000 1.200 302 L HN 0.838 nan 8.230 nan 0.000 0.438 303 A N 6.170 128.851 122.820 -0.232 0.000 3.105 303 A HA 0.589 4.906 4.320 -0.005 0.000 0.336 303 A C -2.508 174.867 177.584 -0.348 0.000 1.042 303 A CA -1.155 50.757 52.037 -0.208 0.000 0.851 303 A CB -0.245 18.671 19.000 -0.140 0.000 1.068 303 A HN 0.351 nan 8.150 nan 0.000 0.477 304 P HA 0.137 nan 4.420 nan 0.000 0.274 304 P C -0.413 176.531 177.300 -0.594 0.000 1.237 304 P CA 0.009 62.746 63.100 -0.604 0.000 0.793 304 P CB 0.793 32.334 31.700 -0.265 0.000 0.977 305 D N 1.568 121.471 120.400 -0.828 0.000 2.414 305 D HA 0.025 4.662 4.640 -0.005 0.000 0.242 305 D C -0.947 175.076 176.300 -0.463 0.000 1.129 305 D CA -1.483 52.057 54.000 -0.767 0.000 0.885 305 D CB 0.378 40.241 40.800 -1.561 0.000 1.198 305 D HN 0.190 nan 8.370 nan 0.000 0.437 306 P HA -0.180 nan 4.420 nan 0.000 0.220 306 P C 0.429 177.705 177.300 -0.041 0.000 1.144 306 P CA 1.153 64.182 63.100 -0.119 0.000 0.800 306 P CB 0.164 31.819 31.700 -0.076 0.000 0.772 307 R N -0.770 119.723 120.500 -0.011 0.000 2.334 307 R HA 0.104 4.441 4.340 -0.005 0.000 0.220 307 R C 0.645 177.163 176.300 0.363 0.000 0.917 307 R CA -0.115 56.108 56.100 0.205 0.000 1.073 307 R CB -0.259 30.254 30.300 0.354 0.000 1.056 307 R HN 0.085 nan 8.270 nan 0.000 0.506 308 D N 0.811 121.383 120.400 0.287 0.000 2.336 308 D HA 0.006 4.643 4.640 -0.005 0.000 0.249 308 D C 0.315 176.748 176.300 0.222 0.000 1.213 308 D CA 0.020 54.253 54.000 0.388 0.000 0.870 308 D CB 1.105 42.104 40.800 0.331 0.000 1.076 308 D HN -0.058 nan 8.370 nan 0.000 0.483 309 Q N 2.864 122.779 119.800 0.192 0.000 2.444 309 Q HA 0.029 4.366 4.340 -0.005 0.000 0.206 309 Q C 0.198 176.037 176.000 -0.269 0.000 0.948 309 Q CA 0.308 56.088 55.803 -0.039 0.000 0.946 309 Q CB 0.058 28.745 28.738 -0.085 0.000 1.027 309 Q HN 0.524 nan 8.270 nan 0.000 0.513 310 F N -0.162 119.890 119.950 0.169 0.000 2.735 310 F HA 0.221 4.744 4.527 -0.005 0.000 0.304 310 F C 1.246 177.232 175.800 0.311 0.000 1.119 310 F CA -0.097 58.057 58.000 0.257 0.000 1.280 310 F CB 0.900 39.994 39.000 0.157 0.000 0.994 310 F HN -0.091 nan 8.300 nan 0.000 0.520 311 Q N -1.509 118.462 119.800 0.285 0.000 2.247 311 Q HA 0.023 4.360 4.340 -0.005 0.000 0.211 311 Q C 1.705 177.739 176.000 0.056 0.000 0.861 311 Q CA 0.277 56.178 55.803 0.163 0.000 0.949 311 Q CB -0.227 28.578 28.738 0.110 0.000 1.115 311 Q HN 0.552 nan 8.270 nan 0.000 0.507 312 H N 1.595 120.658 119.070 -0.013 0.000 2.267 312 H HA -0.148 4.405 4.556 -0.004 0.000 0.297 312 H C 2.003 177.227 175.328 -0.174 0.000 1.080 312 H CA 3.199 59.206 56.048 -0.068 0.000 1.278 312 H CB 0.201 29.951 29.762 -0.020 0.000 1.365 312 H HN 0.274 nan 8.280 nan 0.000 0.489 313 T N -1.789 112.543 114.554 -0.369 0.000 2.788 313 T HA -0.098 4.249 4.350 -0.005 0.000 0.268 313 T C 2.246 176.737 174.700 -0.349 0.000 1.044 313 T CA 1.240 63.049 62.100 -0.486 0.000 1.139 313 T CB -0.894 67.437 68.868 -0.896 0.000 0.867 313 T HN 0.476 nan 8.240 nan 0.000 0.454 314 A N 2.428 125.079 122.820 -0.282 0.000 1.865 314 A HA -0.109 4.208 4.320 -0.005 0.000 0.217 314 A C 2.590 180.125 177.584 -0.081 0.000 1.191 314 A CA 1.731 53.733 52.037 -0.059 0.000 0.623 314 A CB -0.759 18.248 19.000 0.012 0.000 0.826 314 A HN 0.543 nan 8.150 nan 0.000 0.444 315 R N -0.408 120.001 120.500 -0.151 0.000 2.096 315 R HA -0.143 4.194 4.340 -0.005 0.000 0.240 315 R C 2.220 178.416 176.300 -0.173 0.000 1.139 315 R CA 1.584 57.591 56.100 -0.156 0.000 0.952 315 R CB -0.359 29.838 30.300 -0.172 0.000 0.854 315 R HN 0.560 nan 8.270 nan 0.000 0.436 316 E N 0.538 120.581 120.200 -0.262 0.000 2.051 316 E HA -0.192 4.155 4.350 -0.005 0.000 0.192 316 E C 2.122 178.660 176.600 -0.104 0.000 0.991 316 E CA 1.339 57.620 56.400 -0.197 0.000 0.799 316 E CB -0.330 29.224 29.700 -0.243 0.000 0.748 316 E HN 0.370 nan 8.360 nan 0.000 0.449 317 A N 1.370 124.146 122.820 -0.073 0.000 1.869 317 A HA -0.215 4.102 4.320 -0.005 0.000 0.218 317 A C 2.675 180.219 177.584 -0.067 0.000 1.203 317 A CA 2.198 54.221 52.037 -0.023 0.000 0.638 317 A CB -1.006 18.046 19.000 0.086 0.000 0.831 317 A HN 0.144 nan 8.150 nan 0.000 0.450 318 V N -0.580 119.286 119.914 -0.081 0.000 2.287 318 V HA -0.243 3.874 4.120 -0.005 0.000 0.248 318 V C 2.791 178.842 176.094 -0.072 0.000 1.053 318 V CA 2.400 64.647 62.300 -0.087 0.000 1.027 318 V CB -1.041 30.735 31.823 -0.079 0.000 0.646 318 V HN 0.575 nan 8.190 nan 0.000 0.447 319 S N -0.906 114.751 115.700 -0.071 0.000 2.351 319 S HA -0.240 4.227 4.470 -0.005 0.000 0.220 319 S C 2.197 176.768 174.600 -0.049 0.000 1.035 319 S CA 1.929 60.093 58.200 -0.059 0.000 1.031 319 S CB -0.362 62.800 63.200 -0.062 0.000 0.928 319 S HN 0.486 nan 8.310 nan 0.000 0.433 320 R N 0.427 120.899 120.500 -0.048 0.000 2.081 320 R HA -0.055 4.282 4.340 -0.005 0.000 0.235 320 R C 2.430 178.710 176.300 -0.034 0.000 1.131 320 R CA 1.454 57.533 56.100 -0.034 0.000 0.960 320 R CB -0.118 30.166 30.300 -0.027 0.000 0.856 320 R HN 0.090 nan 8.270 nan 0.000 0.436 321 R N -0.579 119.895 120.500 -0.044 0.000 2.153 321 R HA 0.006 4.343 4.340 -0.005 0.000 0.218 321 R C 0.830 177.102 176.300 -0.046 0.000 1.072 321 R CA 1.416 57.488 56.100 -0.047 0.000 0.990 321 R CB -0.110 30.152 30.300 -0.064 0.000 0.889 321 R HN 0.460 nan 8.270 nan 0.000 0.452 322 G N 0.402 109.173 108.800 -0.048 0.000 2.130 322 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.216 322 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.216 322 G C 0.604 175.478 174.900 -0.044 0.000 0.999 322 G CA 0.364 45.439 45.100 -0.042 0.000 0.686 322 G HN 0.509 nan 8.290 nan 0.000 0.515 323 I N -1.987 118.549 120.570 -0.056 0.000 3.684 323 I HA 0.557 4.724 4.170 -0.005 0.000 0.304 323 I C 0.869 176.959 176.117 -0.045 0.000 1.278 323 I CA 0.538 61.805 61.300 -0.056 0.000 1.272 323 I CB 0.147 38.098 38.000 -0.080 0.000 1.029 323 I HN 0.581 nan 8.210 nan 0.000 0.458 324 G N 0.931 109.704 108.800 -0.044 0.000 2.489 324 G HA2 0.553 4.510 3.960 -0.005 0.000 0.305 324 G HA3 0.553 4.510 3.960 -0.005 0.000 0.305 324 G C -1.753 173.122 174.900 -0.043 0.000 1.311 324 G CA -0.848 44.230 45.100 -0.037 0.000 0.813 324 G HN 0.085 nan 8.290 nan 0.000 0.480 325 L N 0.029 121.225 121.223 -0.045 0.000 2.333 325 L HA 0.802 5.139 4.340 -0.005 0.000 0.269 325 L C 0.100 176.928 176.870 -0.069 0.000 1.010 325 L CA -1.333 53.478 54.840 -0.049 0.000 0.818 325 L CB 2.122 44.159 42.059 -0.036 0.000 1.306 325 L HN 0.640 nan 8.230 nan 0.000 0.430 326 V N -1.123 118.751 119.914 -0.068 0.000 2.680 326 V HA 0.922 5.039 4.120 -0.005 0.000 0.309 326 V C -0.465 175.585 176.094 -0.073 0.000 1.052 326 V CA -0.070 62.181 62.300 -0.082 0.000 0.908 326 V CB 1.666 33.440 31.823 -0.082 0.000 1.001 326 V HN 0.832 nan 8.190 nan 0.000 0.431 327 S N 2.452 118.100 115.700 -0.087 0.000 2.800 327 S HA 0.823 5.290 4.470 -0.005 0.000 0.293 327 S C -0.386 174.155 174.600 -0.099 0.000 1.209 327 S CA 0.108 58.261 58.200 -0.078 0.000 0.884 327 S CB 1.765 64.923 63.200 -0.069 0.000 1.244 327 S HN 1.771 nan 8.310 nan 0.000 0.540 328 T N -0.681 113.814 114.554 -0.098 0.000 2.908 328 T HA 0.523 4.870 4.350 -0.005 0.000 0.290 328 T C 1.184 175.806 174.700 -0.131 0.000 1.034 328 T CA 0.234 62.257 62.100 -0.129 0.000 1.010 328 T CB 1.311 70.113 68.868 -0.110 0.000 1.068 328 T HN 0.775 nan 8.240 nan 0.000 0.481 329 S N 1.285 116.878 115.700 -0.179 0.000 2.389 329 S HA -0.276 4.191 4.470 -0.005 0.000 0.231 329 S C 1.619 176.163 174.600 -0.094 0.000 1.052 329 S CA 2.371 60.484 58.200 -0.145 0.000 1.053 329 S CB -1.012 62.074 63.200 -0.191 0.000 0.886 329 S HN 0.914 nan 8.310 nan 0.000 0.456 330 D N -0.039 120.306 120.400 -0.092 0.000 2.269 330 D HA -0.080 4.557 4.640 -0.005 0.000 0.208 330 D C 1.734 178.003 176.300 -0.052 0.000 0.963 330 D CA 0.833 54.796 54.000 -0.062 0.000 0.864 330 D CB -0.331 40.437 40.800 -0.054 0.000 0.936 330 D HN 0.485 nan 8.370 nan 0.000 0.505 331 K N 0.215 120.580 120.400 -0.058 0.000 2.361 331 K HA 0.138 4.455 4.320 -0.005 0.000 0.194 331 K C 0.251 176.824 176.600 -0.044 0.000 1.032 331 K CA -0.193 56.066 56.287 -0.047 0.000 1.048 331 K CB 1.094 33.567 32.500 -0.046 0.000 0.842 331 K HN -0.060 nan 8.250 nan 0.000 0.526 332 V N 4.128 124.012 119.914 -0.050 0.000 2.509 332 V HA -0.106 4.011 4.120 -0.005 0.000 0.297 332 V C 0.003 176.074 176.094 -0.039 0.000 1.014 332 V CA 0.438 62.712 62.300 -0.044 0.000 1.127 332 V CB -0.043 31.751 31.823 -0.049 0.000 0.925 332 V HN 0.353 nan 8.190 nan 0.000 0.480 333 D N 4.130 124.512 120.400 -0.031 0.000 2.533 333 D HA 0.575 5.212 4.640 -0.005 0.000 0.247 333 D C 0.789 177.077 176.300 -0.020 0.000 1.056 333 D CA -0.198 53.785 54.000 -0.028 0.000 1.054 333 D CB 1.728 42.515 40.800 -0.022 0.000 1.400 333 D HN 0.372 nan 8.370 nan 0.000 0.533 334 A N 0.407 123.216 122.820 -0.018 0.000 1.917 334 A HA -0.256 4.061 4.320 -0.005 0.000 0.219 334 A C 1.585 179.177 177.584 0.014 0.000 1.182 334 A CA 2.106 54.141 52.037 -0.003 0.000 0.633 334 A CB -0.882 18.116 19.000 -0.002 0.000 0.819 334 A HN 0.634 nan 8.150 nan 0.000 0.448 335 D N -0.666 119.738 120.400 0.006 0.000 2.123 335 D HA -0.139 4.498 4.640 -0.005 0.000 0.196 335 D C 1.844 178.150 176.300 0.011 0.000 0.992 335 D CA 1.391 55.396 54.000 0.008 0.000 0.833 335 D CB -0.376 40.425 40.800 0.001 0.000 0.954 335 D HN 0.352 nan 8.370 nan 0.000 0.455 336 L N 0.638 121.864 121.223 0.005 0.000 2.046 336 L HA -0.112 4.225 4.340 -0.005 0.000 0.208 336 L C 2.279 179.163 176.870 0.023 0.000 1.077 336 L CA 1.307 56.150 54.840 0.005 0.000 0.747 336 L CB -0.455 41.600 42.059 -0.007 0.000 0.896 336 L HN 0.020 nan 8.230 nan 0.000 0.432 337 L N -1.138 120.110 121.223 0.042 0.000 2.056 337 L HA -0.179 4.158 4.340 -0.005 0.000 0.207 337 L C 2.737 179.662 176.870 0.093 0.000 1.078 337 L CA 1.091 55.987 54.840 0.093 0.000 0.749 337 L CB -0.464 41.678 42.059 0.138 0.000 0.901 337 L HN 0.220 nan 8.230 nan 0.000 0.433 338 R N -0.286 120.255 120.500 0.070 0.000 2.105 338 R HA -0.210 4.127 4.340 -0.005 0.000 0.239 338 R C 2.387 178.704 176.300 0.030 0.000 1.135 338 R CA 1.471 57.602 56.100 0.051 0.000 0.967 338 R CB -0.306 30.016 30.300 0.037 0.000 0.861 338 R HN 0.272 nan 8.270 nan 0.000 0.442 339 R N 0.803 121.316 120.500 0.022 0.000 2.075 339 R HA -0.119 4.218 4.340 -0.005 0.000 0.232 339 R C 2.238 178.544 176.300 0.010 0.000 1.126 339 R CA 0.966 57.072 56.100 0.011 0.000 0.963 339 R CB -0.318 29.985 30.300 0.004 0.000 0.858 339 R HN 0.110 nan 8.270 nan 0.000 0.435 340 L N 0.961 122.195 121.223 0.019 0.000 2.013 340 L HA -0.171 4.166 4.340 -0.005 0.000 0.212 340 L C 1.848 178.723 176.870 0.007 0.000 1.073 340 L CA 1.903 56.753 54.840 0.017 0.000 0.753 340 L CB -0.250 41.831 42.059 0.037 0.000 0.890 340 L HN 0.290 nan 8.230 nan 0.000 0.432 341 I N -1.185 119.389 120.570 0.008 0.000 2.617 341 I HA -0.010 4.157 4.170 -0.005 0.000 0.256 341 I C 2.227 178.337 176.117 -0.013 0.000 1.167 341 I CA 0.934 62.226 61.300 -0.014 0.000 1.469 341 I CB -0.771 37.211 38.000 -0.030 0.000 1.098 341 I HN 0.353 nan 8.210 nan 0.000 0.436 342 G N -0.720 108.078 108.800 -0.004 0.000 2.709 342 G HA2 -0.076 3.881 3.960 -0.005 0.000 0.208 342 G HA3 -0.076 3.881 3.960 -0.005 0.000 0.208 342 G C 0.429 175.325 174.900 -0.007 0.000 1.129 342 G CA -0.102 44.995 45.100 -0.005 0.000 0.793 342 G HN 0.207 nan 8.290 nan 0.000 0.524 343 D N 1.065 121.462 120.400 -0.006 0.000 2.383 343 D HA 0.073 4.710 4.640 -0.005 0.000 0.245 343 D C 1.215 177.509 176.300 -0.011 0.000 1.263 343 D CA -0.173 53.822 54.000 -0.008 0.000 0.936 343 D CB 0.946 41.741 40.800 -0.008 0.000 1.053 343 D HN 0.372 nan 8.370 nan 0.000 0.507 344 E N 1.832 122.025 120.200 -0.011 0.000 2.204 344 E HA -0.198 4.149 4.350 -0.005 0.000 0.195 344 E C 1.702 178.293 176.600 -0.014 0.000 0.990 344 E CA 1.108 57.501 56.400 -0.013 0.000 0.821 344 E CB 0.229 29.922 29.700 -0.012 0.000 0.750 344 E HN 0.507 nan 8.360 nan 0.000 0.477 345 S N 0.091 115.782 115.700 -0.014 0.000 2.419 345 S HA -0.143 4.324 4.470 -0.005 0.000 0.233 345 S C 1.933 176.522 174.600 -0.019 0.000 1.016 345 S CA 0.763 58.953 58.200 -0.016 0.000 0.974 345 S CB -0.453 62.737 63.200 -0.016 0.000 0.786 345 S HN 0.315 nan 8.310 nan 0.000 0.492 346 L N 0.503 121.715 121.223 -0.019 0.000 2.046 346 L HA -0.016 4.321 4.340 -0.005 0.000 0.208 346 L C 3.174 180.031 176.870 -0.021 0.000 1.077 346 L CA 1.729 56.557 54.840 -0.021 0.000 0.747 346 L CB -0.552 41.497 42.059 -0.017 0.000 0.896 346 L HN 0.318 nan 8.230 nan 0.000 0.432 347 R N -0.241 120.249 120.500 -0.018 0.000 2.075 347 R HA -0.119 4.219 4.340 -0.005 0.000 0.232 347 R C 2.364 178.652 176.300 -0.019 0.000 1.126 347 R CA 1.801 57.890 56.100 -0.018 0.000 0.963 347 R CB -0.203 30.087 30.300 -0.016 0.000 0.858 347 R HN 0.241 nan 8.270 nan 0.000 0.435 348 T N 0.611 115.154 114.554 -0.019 0.000 2.665 348 T HA -0.221 4.126 4.350 -0.005 0.000 0.268 348 T C 1.770 176.456 174.700 -0.023 0.000 1.035 348 T CA 1.630 63.719 62.100 -0.019 0.000 1.151 348 T CB -0.346 68.511 68.868 -0.018 0.000 0.862 348 T HN 0.456 nan 8.240 nan 0.000 0.438 349 A N 1.340 124.144 122.820 -0.026 0.000 1.873 349 A HA 0.210 4.527 4.320 -0.005 0.000 0.215 349 A C 2.682 180.243 177.584 -0.038 0.000 1.186 349 A CA 1.833 53.850 52.037 -0.033 0.000 0.616 349 A CB -1.199 17.779 19.000 -0.036 0.000 0.823 349 A HN 0.510 nan 8.150 nan 0.000 0.442 350 A N -0.093 122.705 122.820 -0.036 0.000 1.883 350 A HA -0.208 4.109 4.320 -0.005 0.000 0.217 350 A C 2.262 179.828 177.584 -0.031 0.000 1.186 350 A CA 1.658 53.672 52.037 -0.037 0.000 0.624 350 A CB -0.525 18.458 19.000 -0.028 0.000 0.822 350 A HN 0.544 nan 8.150 nan 0.000 0.444 351 R N -0.586 119.900 120.500 -0.023 0.000 2.096 351 R HA -0.124 4.213 4.340 -0.005 0.000 0.235 351 R C 2.101 178.389 176.300 -0.020 0.000 1.127 351 R CA 1.527 57.617 56.100 -0.018 0.000 0.968 351 R CB -0.316 29.975 30.300 -0.015 0.000 0.861 351 R HN 0.692 nan 8.270 nan 0.000 0.440 352 E N 0.075 120.260 120.200 -0.026 0.000 2.106 352 E HA -0.123 4.224 4.350 -0.005 0.000 0.192 352 E C 1.991 178.571 176.600 -0.033 0.000 0.984 352 E CA 1.029 57.413 56.400 -0.028 0.000 0.806 352 E CB 0.149 29.832 29.700 -0.029 0.000 0.750 352 E HN 0.081 nan 8.360 nan 0.000 0.458 353 V N 1.039 120.928 119.914 -0.042 0.000 2.453 353 V HA -0.202 3.915 4.120 -0.005 0.000 0.247 353 V C 2.387 178.459 176.094 -0.038 0.000 1.048 353 V CA 1.509 63.778 62.300 -0.052 0.000 1.049 353 V CB -0.423 31.352 31.823 -0.079 0.000 0.672 353 V HN 0.202 nan 8.190 nan 0.000 0.457 354 R N 0.136 120.620 120.500 -0.027 0.000 2.091 354 R HA -0.221 4.116 4.340 -0.005 0.000 0.238 354 R C 2.288 178.589 176.300 0.000 0.000 1.136 354 R CA 2.061 58.157 56.100 -0.006 0.000 0.959 354 R CB -0.227 30.072 30.300 -0.002 0.000 0.856 354 R HN 0.569 nan 8.270 nan 0.000 0.437 355 E N 0.341 120.536 120.200 -0.008 0.000 2.110 355 E HA -0.160 4.187 4.350 -0.005 0.000 0.193 355 E C 0.678 177.272 176.600 -0.010 0.000 0.988 355 E CA 0.538 56.933 56.400 -0.007 0.000 0.804 355 E CB 0.043 29.736 29.700 -0.012 0.000 0.745 355 E HN 0.408 nan 8.360 nan 0.000 0.458 359 A N 0.410 123.239 122.820 0.015 0.000 2.172 359 A HA 0.229 4.546 4.320 -0.005 0.000 0.216 359 A C 0.950 178.541 177.584 0.012 0.000 1.154 359 A CA 0.790 52.830 52.037 0.005 0.000 0.701 359 A CB -0.399 18.595 19.000 -0.009 0.000 0.789 359 A HN 0.520 nan 8.150 nan 0.000 0.465 360 L N -0.026 121.217 121.223 0.033 0.000 2.453 360 L HA 0.252 4.589 4.340 -0.005 0.000 0.261 360 L C -2.206 174.697 176.870 0.054 0.000 1.179 360 L CA -2.143 52.731 54.840 0.057 0.000 0.813 360 L CB -0.020 42.106 42.059 0.111 0.000 1.110 360 L HN -0.026 nan 8.230 nan 0.000 0.466 361 P HA -0.021 nan 4.420 nan 0.000 0.264 361 P C -0.380 176.948 177.300 0.047 0.000 1.183 361 P CA -0.056 63.059 63.100 0.025 0.000 0.763 361 P CB 0.293 31.992 31.700 -0.002 0.000 0.807 362 T N 1.465 116.036 114.554 0.028 0.000 2.828 362 T HA 0.188 4.535 4.350 -0.005 0.000 0.290 362 T C -1.719 172.999 174.700 0.030 0.000 1.019 362 T CA -1.576 60.542 62.100 0.029 0.000 1.031 362 T CB -0.036 68.841 68.868 0.013 0.000 1.001 362 T HN 0.161 nan 8.240 nan 0.000 0.531 363 P HA -0.141 nan 4.420 nan 0.000 0.216 363 P C 1.697 179.001 177.300 0.007 0.000 1.154 363 P CA 1.820 64.938 63.100 0.030 0.000 0.865 363 P CB -0.396 31.313 31.700 0.015 0.000 0.789 364 A N -0.158 122.662 122.820 -0.001 0.000 1.908 364 A HA -0.251 4.066 4.320 -0.005 0.000 0.218 364 A C 2.164 179.724 177.584 -0.040 0.000 1.181 364 A CA 1.891 53.914 52.037 -0.024 0.000 0.627 364 A CB -1.292 17.700 19.000 -0.012 0.000 0.818 364 A HN 0.203 nan 8.150 nan 0.000 0.445 365 E N -1.033 119.152 120.200 -0.026 0.000 2.208 365 E HA -0.085 4.262 4.350 -0.005 0.000 0.193 365 E C 1.996 178.570 176.600 -0.043 0.000 0.988 365 E CA 1.382 57.760 56.400 -0.036 0.000 0.828 365 E CB -0.132 29.548 29.700 -0.033 0.000 0.763 365 E HN 0.645 nan 8.360 nan 0.000 0.478 366 T N 0.373 114.919 114.554 -0.012 0.000 2.770 366 T HA -0.101 4.246 4.350 -0.005 0.000 0.263 366 T C 2.095 176.821 174.700 0.043 0.000 1.039 366 T CA 0.736 62.860 62.100 0.041 0.000 1.142 366 T CB -0.236 68.708 68.868 0.127 0.000 0.868 366 T HN -0.031 nan 8.240 nan 0.000 0.435 367 V N 1.633 121.497 119.914 -0.084 0.000 2.278 367 V HA -0.286 3.831 4.120 -0.005 0.000 0.251 367 V C 2.686 178.668 176.094 -0.188 0.000 1.062 367 V CA 1.985 64.079 62.300 -0.344 0.000 1.038 367 V CB -0.582 30.925 31.823 -0.527 0.000 0.646 367 V HN 0.366 nan 8.190 nan 0.000 0.447 368 R N -0.724 119.715 120.500 -0.101 0.000 2.081 368 R HA -0.151 4.186 4.340 -0.005 0.000 0.235 368 R C 2.583 178.882 176.300 -0.001 0.000 1.131 368 R CA 1.665 57.739 56.100 -0.042 0.000 0.960 368 R CB -0.184 30.092 30.300 -0.040 0.000 0.856 368 R HN 0.445 nan 8.270 nan 0.000 0.436 369 R N -0.058 120.435 120.500 -0.012 0.000 2.092 369 R HA -0.062 4.275 4.340 -0.005 0.000 0.231 369 R C 2.302 178.733 176.300 0.218 0.000 1.119 369 R CA 1.417 57.500 56.100 -0.028 0.000 0.970 369 R CB -0.227 29.875 30.300 -0.331 0.000 0.864 369 R HN 0.272 nan 8.270 nan 0.000 0.440 370 I N 0.004 120.780 120.570 0.342 0.000 2.142 370 I HA -0.285 3.882 4.170 -0.005 0.000 0.240 370 I C 2.301 178.562 176.117 0.240 0.000 1.078 370 I CA 1.203 62.742 61.300 0.399 0.000 1.343 370 I CB -0.363 37.860 38.000 0.372 0.000 1.046 370 I HN -0.014 nan 8.210 nan 0.000 0.405 371 V N 0.865 120.876 119.914 0.162 0.000 2.282 371 V HA -0.336 3.781 4.120 -0.005 0.000 0.249 371 V C 2.407 178.566 176.094 0.109 0.000 1.057 371 V CA 2.144 64.517 62.300 0.122 0.000 1.032 371 V CB -0.623 31.257 31.823 0.096 0.000 0.645 371 V HN 0.445 nan 8.190 nan 0.000 0.447 372 E N -0.491 119.772 120.200 0.105 0.000 2.110 372 E HA -0.271 4.076 4.350 -0.005 0.000 0.193 372 E C 2.328 178.993 176.600 0.109 0.000 0.988 372 E CA 1.239 57.693 56.400 0.089 0.000 0.804 372 E CB -0.176 29.561 29.700 0.062 0.000 0.745 372 E HN 0.353 nan 8.360 nan 0.000 0.458 373 R N 1.198 121.799 120.500 0.168 0.000 2.285 373 R HA -0.012 4.325 4.340 -0.005 0.000 0.213 373 R C 0.909 177.273 176.300 0.107 0.000 1.068 373 R CA 0.620 56.828 56.100 0.180 0.000 1.004 373 R CB -0.302 30.190 30.300 0.320 0.000 0.873 373 R HN 0.281 nan 8.270 nan 0.000 0.467 374 I N 0.000 120.622 120.570 0.087 0.000 2.984 374 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 374 I CA 0.000 61.330 61.300 0.049 0.000 1.566 374 I CB 0.000 38.019 38.000 0.032 0.000 1.214 374 I HN 0.000 nan 8.210 nan 0.000 0.494