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 3ifz_1_A DATA FIRST_RESID 9 DATA SEQUENCE DDSLDRIEPV DIEQEMQRSY IDYAMSVIVG RALPEVRDGL KPVHRRVLYA DATA SEQUENCE MFDSGFRPDR SHAKSARSVA ETMGNYHPHG DASIYDSLVR MAQPWSLRYP DATA SEQUENCE LVDGQGNFGS PGNDPPAAMR YTEARLTPLA MEMLREIDEE TVDFIPNYDG DATA SEQUENCE RVQEPTVLPS RFPNLLANGS GGIAVGMATN IPPHNLRELA DAVFWALENH DATA SEQUENCE DADEEETLAA VMGRVKGPDF PTAGLIVGSQ GTADAYKTGR GSIRMRGVVE DATA SEQUENCE VEEDSRXXXX LVITELPYQV NHDNFITSIA EQVRDGKLAG ISNIEDQSSD DATA SEQUENCE RVGLRIVIEI KRDAVAKVVI NNLYKHTQLQ TSFGANMLAI VDGVPRTLRL DATA SEQUENCE DQLIRYYVDH QLDVIVRRTT YRLRKANERA HILRGLVKAL DALDEVIALI DATA SEQUENCE RASETVDIAR AGLIELLDID EIQAQAILDM QLRRLAALER QRIIDDLAKI DATA SEQUENCE EAEIADLEDI LAKPERQRGI VRDELAEIVD RHGDDRRTRI I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.295 176.300 -0.009 0.000 2.045 9 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 9 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 10 D N -0.529 119.867 120.400 -0.007 0.000 3.307 10 D HA -0.195 4.482 4.640 0.062 0.000 0.197 10 D C -0.598 175.699 176.300 -0.006 0.000 1.363 10 D CA 2.362 56.359 54.000 -0.006 0.000 1.100 10 D CB -0.904 39.892 40.800 -0.007 0.000 0.616 10 D HN 0.460 nan 8.370 nan 0.000 0.719 11 S N -1.487 114.209 115.700 -0.006 0.000 2.636 11 S HA 0.637 5.144 4.470 0.062 0.000 0.268 11 S C -1.643 172.953 174.600 -0.006 0.000 1.159 11 S CA -0.268 57.929 58.200 -0.005 0.000 0.815 11 S CB 0.526 63.724 63.200 -0.004 0.000 1.130 11 S HN 1.102 nan 8.310 nan 0.000 0.471 12 L N 0.631 121.851 121.223 -0.005 0.000 2.362 12 L HA 1.009 5.387 4.340 0.062 0.000 0.275 12 L C -0.828 176.040 176.870 -0.004 0.000 0.998 12 L CA -0.549 54.288 54.840 -0.005 0.000 0.820 12 L CB 1.704 43.760 42.059 -0.005 0.000 1.270 12 L HN 0.952 nan 8.230 nan 0.000 0.415 13 D N 0.367 120.765 120.400 -0.004 0.000 3.531 13 D HA -0.096 4.581 4.640 0.062 0.000 0.443 13 D C 0.870 177.168 176.300 -0.003 0.000 0.722 13 D CA -0.058 53.941 54.000 -0.003 0.000 0.931 13 D CB -0.184 40.615 40.800 -0.002 0.000 1.666 13 D HN 0.628 nan 8.370 nan 0.000 0.244 14 R N 1.337 121.835 120.500 -0.003 0.000 2.056 14 R HA 0.322 4.699 4.340 0.062 0.000 0.227 14 R C 1.475 177.774 176.300 -0.003 0.000 1.149 14 R CA 0.774 56.873 56.100 -0.003 0.000 0.937 14 R CB -0.241 30.056 30.300 -0.004 0.000 0.835 14 R HN 0.184 nan 8.270 nan 0.000 0.430 15 I N 1.278 121.846 120.570 -0.003 0.000 5.780 15 I HA -0.235 3.973 4.170 0.062 0.000 0.126 15 I C -0.759 175.357 176.117 -0.002 0.000 1.817 15 I CA 0.322 61.620 61.300 -0.003 0.000 2.038 15 I CB -0.426 37.572 38.000 -0.002 0.000 3.390 15 I HN 0.359 nan 8.210 nan 0.000 0.169 16 E N 1.617 121.815 120.200 -0.003 0.000 2.235 16 E HA 0.501 4.888 4.350 0.062 0.000 0.265 16 E C -1.591 175.007 176.600 -0.003 0.000 0.940 16 E CA -1.435 54.964 56.400 -0.002 0.000 0.819 16 E CB 1.077 30.776 29.700 -0.002 0.000 1.206 16 E HN 0.006 nan 8.360 nan 0.000 0.409 17 P HA -0.035 nan 4.420 nan 0.000 0.231 17 P C 0.661 177.961 177.300 -0.000 0.000 1.168 17 P CA 0.538 63.638 63.100 -0.000 0.000 0.779 17 P CB 0.387 32.088 31.700 0.002 0.000 0.844 18 V N 0.632 120.546 119.914 -0.000 0.000 3.129 18 V HA -0.038 4.119 4.120 0.062 0.000 0.259 18 V C 1.757 177.849 176.094 -0.003 0.000 1.116 18 V CA 1.482 63.782 62.300 0.000 0.000 1.127 18 V CB -0.803 31.021 31.823 0.001 0.000 0.742 18 V HN 0.085 nan 8.190 nan 0.000 0.474 19 D N -0.268 120.128 120.400 -0.006 0.000 2.346 19 D HA 0.134 4.811 4.640 0.062 0.000 0.206 19 D C 1.942 178.232 176.300 -0.017 0.000 1.001 19 D CA 0.482 54.475 54.000 -0.010 0.000 0.871 19 D CB 0.618 41.413 40.800 -0.009 0.000 0.943 19 D HN 0.377 nan 8.370 nan 0.000 0.518 20 I N 1.351 121.912 120.570 -0.015 0.000 2.233 20 I HA -0.183 4.025 4.170 0.062 0.000 0.243 20 I C 2.197 178.296 176.117 -0.031 0.000 1.093 20 I CA 1.095 62.382 61.300 -0.022 0.000 1.380 20 I CB -0.004 37.988 38.000 -0.013 0.000 1.067 20 I HN -0.154 nan 8.210 nan 0.000 0.413 21 E N 0.068 120.258 120.200 -0.017 0.000 2.153 21 E HA -0.243 4.145 4.350 0.062 0.000 0.194 21 E C 2.144 178.728 176.600 -0.026 0.000 0.988 21 E CA 0.783 57.175 56.400 -0.014 0.000 0.811 21 E CB 0.029 29.733 29.700 0.006 0.000 0.746 21 E HN 0.367 nan 8.360 nan 0.000 0.466 22 Q N 0.555 120.340 119.800 -0.025 0.000 2.083 22 Q HA -0.125 4.253 4.340 0.062 0.000 0.198 22 Q C 1.794 177.766 176.000 -0.047 0.000 0.969 22 Q CA 1.227 57.014 55.803 -0.025 0.000 0.838 22 Q CB -0.055 28.673 28.738 -0.016 0.000 0.900 22 Q HN 0.377 nan 8.270 nan 0.000 0.436 23 E N -0.532 119.633 120.200 -0.058 0.000 2.047 23 E HA -0.117 4.271 4.350 0.062 0.000 0.191 23 E C 1.905 178.420 176.600 -0.142 0.000 0.987 23 E CA 0.892 57.247 56.400 -0.075 0.000 0.799 23 E CB 0.024 29.688 29.700 -0.060 0.000 0.752 23 E HN 0.231 nan 8.360 nan 0.000 0.449 24 M N 0.438 119.920 119.600 -0.198 0.000 2.117 24 M HA -0.186 4.332 4.480 0.062 0.000 0.262 24 M C 2.126 178.067 176.300 -0.598 0.000 1.065 24 M CA 1.572 56.611 55.300 -0.434 0.000 1.114 24 M CB -0.956 31.430 32.600 -0.357 0.000 1.361 24 M HN 0.134 nan 8.290 nan 0.000 0.408 25 Q N -0.284 119.369 119.800 -0.246 0.000 2.084 25 Q HA -0.138 4.239 4.340 0.062 0.000 0.202 25 Q C 2.277 178.252 176.000 -0.042 0.000 0.978 25 Q CA 1.334 57.095 55.803 -0.070 0.000 0.844 25 Q CB -0.040 28.705 28.738 0.012 0.000 0.898 25 Q HN 0.458 nan 8.270 nan 0.000 0.426 26 R N -0.394 120.068 120.500 -0.063 0.000 2.096 26 R HA -0.106 4.271 4.340 0.062 0.000 0.235 26 R C 2.547 178.843 176.300 -0.006 0.000 1.127 26 R CA 1.373 57.460 56.100 -0.022 0.000 0.968 26 R CB -0.251 30.033 30.300 -0.027 0.000 0.861 26 R HN 0.100 nan 8.270 nan 0.000 0.440 27 S N -0.369 115.289 115.700 -0.070 0.000 2.355 27 S HA -0.150 4.357 4.470 0.062 0.000 0.222 27 S C 1.697 176.421 174.600 0.206 0.000 1.031 27 S CA 1.024 59.238 58.200 0.022 0.000 0.993 27 S CB -0.194 62.944 63.200 -0.103 0.000 0.859 27 S HN 0.311 nan 8.310 nan 0.000 0.453 28 Y N 1.067 121.444 120.300 0.129 0.000 2.224 28 Y HA 0.056 4.641 4.550 0.058 0.000 0.289 28 Y C 2.163 178.138 175.900 0.125 0.000 1.146 28 Y CA 0.026 58.196 58.100 0.116 0.000 1.182 28 Y CB -0.978 37.512 38.460 0.049 0.000 0.983 28 Y HN 0.256 nan 8.280 nan 0.000 0.524 29 I N 0.117 120.822 120.570 0.226 0.000 2.142 29 I HA -0.282 3.926 4.170 0.062 0.000 0.240 29 I C 2.115 178.298 176.117 0.111 0.000 1.078 29 I CA 1.605 62.987 61.300 0.137 0.000 1.343 29 I CB -0.460 37.589 38.000 0.082 0.000 1.046 29 I HN 0.043 nan 8.210 nan 0.000 0.405 30 D N -0.433 120.020 120.400 0.088 0.000 2.116 30 D HA -0.244 4.434 4.640 0.062 0.000 0.193 30 D C 2.203 178.484 176.300 -0.032 0.000 0.998 30 D CA 1.743 55.743 54.000 -0.000 0.000 0.836 30 D CB -0.359 40.408 40.800 -0.054 0.000 0.951 30 D HN 0.341 nan 8.370 nan 0.000 0.449 31 Y N 1.048 121.384 120.300 0.060 0.000 2.145 31 Y HA -0.145 4.409 4.550 0.006 0.000 0.286 31 Y C 2.455 178.382 175.900 0.046 0.000 1.145 31 Y CA 1.274 59.410 58.100 0.059 0.000 1.148 31 Y CB -0.612 37.904 38.460 0.093 0.000 0.981 31 Y HN -0.069 nan 8.280 nan 0.000 0.507 32 A N 0.810 123.757 122.820 0.213 0.000 1.849 32 A HA -0.307 4.050 4.320 0.062 0.000 0.217 32 A C 2.282 179.907 177.584 0.068 0.000 1.202 32 A CA 2.631 54.740 52.037 0.121 0.000 0.629 32 A CB -1.119 17.945 19.000 0.107 0.000 0.834 32 A HN 0.605 nan 8.150 nan 0.000 0.447 33 M N -0.170 119.461 119.600 0.050 0.000 2.374 33 M HA -0.028 4.490 4.480 0.062 0.000 0.264 33 M C 1.827 178.128 176.300 0.001 0.000 1.067 33 M CA 2.113 57.425 55.300 0.020 0.000 1.103 33 M CB -0.597 32.012 32.600 0.014 0.000 1.402 33 M HN 0.389 nan 8.290 nan 0.000 0.444 34 S N -0.014 115.679 115.700 -0.012 0.000 2.474 34 S HA -0.021 4.486 4.470 0.062 0.000 0.235 34 S C 1.650 176.240 174.600 -0.016 0.000 0.997 34 S CA 0.927 59.103 58.200 -0.040 0.000 0.949 34 S CB -0.495 62.643 63.200 -0.104 0.000 0.766 34 S HN 0.431 nan 8.310 nan 0.000 0.517 35 V N 0.934 120.855 119.914 0.013 0.000 2.795 35 V HA 0.227 4.384 4.120 0.062 0.000 0.243 35 V C 2.226 178.324 176.094 0.008 0.000 1.069 35 V CA 0.770 63.081 62.300 0.019 0.000 1.089 35 V CB -0.262 31.588 31.823 0.046 0.000 0.756 35 V HN 0.482 nan 8.190 nan 0.000 0.471 36 I N -0.419 120.156 120.570 0.009 0.000 2.226 36 I HA -0.216 3.992 4.170 0.062 0.000 0.245 36 I C 2.400 178.513 176.117 -0.007 0.000 1.100 36 I CA 1.243 62.544 61.300 0.001 0.000 1.374 36 I CB -0.336 37.666 38.000 0.003 0.000 1.057 36 I HN 0.136 nan 8.210 nan 0.000 0.413 37 V N 1.175 121.083 119.914 -0.010 0.000 2.469 37 V HA -0.250 3.907 4.120 0.062 0.000 0.251 37 V C 2.468 178.549 176.094 -0.020 0.000 1.064 37 V CA 2.165 64.456 62.300 -0.016 0.000 1.066 37 V CB -1.131 30.680 31.823 -0.020 0.000 0.667 37 V HN 0.605 nan 8.190 nan 0.000 0.461 38 G N -0.614 108.173 108.800 -0.021 0.000 2.535 38 G HA2 -0.199 3.798 3.960 0.062 0.000 0.218 38 G HA3 -0.199 3.798 3.960 0.062 0.000 0.218 38 G C 1.658 176.542 174.900 -0.027 0.000 1.122 38 G CA 0.585 45.668 45.100 -0.028 0.000 0.769 38 G HN 0.528 nan 8.290 nan 0.000 0.549 39 R N -0.288 120.201 120.500 -0.020 0.000 2.140 39 R HA 0.335 4.712 4.340 0.062 0.000 0.200 39 R C 2.936 179.226 176.300 -0.016 0.000 1.069 39 R CA 0.602 56.690 56.100 -0.020 0.000 1.088 39 R CB -0.364 29.926 30.300 -0.016 0.000 1.012 39 R HN 0.194 nan 8.270 nan 0.000 0.500 40 A N 2.291 125.103 122.820 -0.013 0.000 1.917 40 A HA -0.064 4.293 4.320 0.062 0.000 0.219 40 A C 1.241 178.826 177.584 0.001 0.000 1.182 40 A CA 1.116 53.149 52.037 -0.006 0.000 0.633 40 A CB -0.571 18.425 19.000 -0.006 0.000 0.819 40 A HN 0.095 nan 8.150 nan 0.000 0.448 41 L N -0.444 120.775 121.223 -0.006 0.000 2.387 41 L HA 0.412 4.789 4.340 0.062 0.000 0.266 41 L C -2.361 174.502 176.870 -0.010 0.000 1.059 41 L CA -2.517 52.320 54.840 -0.005 0.000 0.801 41 L CB 0.831 42.882 42.059 -0.015 0.000 1.223 41 L HN 0.024 nan 8.230 nan 0.000 0.456 42 P HA 0.145 nan 4.420 nan 0.000 0.281 42 P C -0.921 176.346 177.300 -0.056 0.000 1.249 42 P CA -0.454 62.633 63.100 -0.022 0.000 0.810 42 P CB 1.132 32.825 31.700 -0.013 0.000 1.008 43 E N 0.741 120.894 120.200 -0.078 0.000 2.366 43 E HA 0.065 4.453 4.350 0.062 0.000 0.266 43 E C 1.279 177.804 176.600 -0.124 0.000 1.051 43 E CA -0.197 56.134 56.400 -0.116 0.000 0.884 43 E CB 1.417 31.033 29.700 -0.139 0.000 1.006 43 E HN 0.192 nan 8.360 nan 0.000 0.417 44 V N 3.186 123.010 119.914 -0.150 0.000 2.358 44 V HA -0.248 3.909 4.120 0.062 0.000 0.246 44 V C 2.082 178.123 176.094 -0.087 0.000 1.047 44 V CA 1.367 63.593 62.300 -0.124 0.000 1.035 44 V CB -0.615 31.096 31.823 -0.187 0.000 0.658 44 V HN 0.545 nan 8.190 nan 0.000 0.452 45 R N 2.240 122.642 120.500 -0.163 0.000 2.080 45 R HA -0.161 4.216 4.340 0.062 0.000 0.236 45 R C 2.007 178.223 176.300 -0.140 0.000 1.137 45 R CA 2.135 58.089 56.100 -0.242 0.000 0.943 45 R CB -0.596 29.281 30.300 -0.704 0.000 0.846 45 R HN 0.823 nan 8.270 nan 0.000 0.431 46 D N -2.164 118.126 120.400 -0.184 0.000 2.441 46 D HA 0.095 4.773 4.640 0.062 0.000 0.210 46 D C 1.038 177.251 176.300 -0.147 0.000 1.102 46 D CA 0.575 54.493 54.000 -0.137 0.000 0.840 46 D CB 0.471 41.190 40.800 -0.134 0.000 0.990 46 D HN 0.304 nan 8.370 nan 0.000 0.505 47 G N 0.420 109.146 108.800 -0.125 0.000 2.155 47 G HA2 -0.267 3.731 3.960 0.062 0.000 0.257 47 G HA3 -0.267 3.731 3.960 0.062 0.000 0.257 47 G C -0.060 174.796 174.900 -0.073 0.000 0.983 47 G CA 0.727 45.766 45.100 -0.103 0.000 0.676 47 G HN 0.420 nan 8.290 nan 0.000 0.528 48 L N -0.817 120.369 121.223 -0.062 0.000 2.322 48 L HA 0.659 5.037 4.340 0.062 0.000 0.269 48 L C 0.644 177.530 176.870 0.027 0.000 1.012 48 L CA -1.142 53.697 54.840 -0.002 0.000 0.815 48 L CB 1.509 43.566 42.059 -0.003 0.000 1.295 48 L HN -0.036 nan 8.230 nan 0.000 0.438 49 K N 1.154 121.631 120.400 0.128 0.000 2.123 49 K HA 0.338 4.695 4.320 0.062 0.000 0.248 49 K C -1.801 174.794 176.600 -0.009 0.000 0.969 49 K CA -1.649 54.674 56.287 0.059 0.000 0.882 49 K CB 1.434 33.987 32.500 0.087 0.000 1.080 49 K HN 0.173 nan 8.250 nan 0.000 0.441 50 P HA -0.229 nan 4.420 nan 0.000 0.216 50 P C 1.234 178.474 177.300 -0.100 0.000 1.154 50 P CA 1.052 64.113 63.100 -0.065 0.000 0.865 50 P CB 0.047 31.725 31.700 -0.036 0.000 0.789 51 V N -0.639 119.158 119.914 -0.196 0.000 2.233 51 V HA -0.319 3.838 4.120 0.062 0.000 0.247 51 V C 2.168 178.111 176.094 -0.252 0.000 1.050 51 V CA 2.336 64.447 62.300 -0.316 0.000 1.010 51 V CB -2.032 29.485 31.823 -0.510 0.000 0.637 51 V HN 0.199 nan 8.190 nan 0.000 0.444 52 H N -0.067 118.976 119.070 -0.045 0.000 2.352 52 H HA -0.156 4.438 4.556 0.064 0.000 0.299 52 H C 2.523 177.840 175.328 -0.020 0.000 1.097 52 H CA 1.950 57.985 56.048 -0.023 0.000 1.311 52 H CB -0.180 29.569 29.762 -0.022 0.000 1.377 52 H HN 0.273 nan 8.280 nan 0.000 0.504 53 R N 1.085 121.617 120.500 0.054 0.000 2.091 53 R HA -0.118 4.260 4.340 0.062 0.000 0.238 53 R C 2.240 178.523 176.300 -0.029 0.000 1.136 53 R CA 1.425 57.516 56.100 -0.015 0.000 0.959 53 R CB 0.026 30.274 30.300 -0.087 0.000 0.856 53 R HN 0.231 nan 8.270 nan 0.000 0.437 54 R N -0.552 119.914 120.500 -0.055 0.000 2.081 54 R HA -0.091 4.286 4.340 0.062 0.000 0.235 54 R C 2.280 178.618 176.300 0.064 0.000 1.131 54 R CA 1.572 57.628 56.100 -0.073 0.000 0.960 54 R CB -0.333 29.967 30.300 -0.001 0.000 0.856 54 R HN 0.091 nan 8.270 nan 0.000 0.436 55 V N 1.366 121.332 119.914 0.087 0.000 2.261 55 V HA -0.256 3.901 4.120 0.062 0.000 0.246 55 V C 2.281 178.468 176.094 0.155 0.000 1.047 55 V CA 1.778 64.161 62.300 0.139 0.000 1.015 55 V CB -0.410 31.488 31.823 0.124 0.000 0.642 55 V HN 0.290 nan 8.190 nan 0.000 0.446 56 L N -1.354 119.951 121.223 0.137 0.000 2.012 56 L HA -0.240 4.137 4.340 0.062 0.000 0.210 56 L C 2.514 179.485 176.870 0.168 0.000 1.073 56 L CA 2.214 57.140 54.840 0.143 0.000 0.748 56 L CB -0.779 41.345 42.059 0.108 0.000 0.891 56 L HN 0.407 nan 8.230 nan 0.000 0.431 57 Y N 0.701 121.008 120.300 0.012 0.000 2.224 57 Y HA -0.261 4.327 4.550 0.064 0.000 0.289 57 Y C 2.453 178.433 175.900 0.134 0.000 1.146 57 Y CA 1.082 59.195 58.100 0.021 0.000 1.182 57 Y CB -0.327 38.050 38.460 -0.139 0.000 0.983 57 Y HN 0.114 nan 8.280 nan 0.000 0.524 58 A N 0.373 123.250 122.820 0.094 0.000 1.877 58 A HA -0.241 4.116 4.320 0.062 0.000 0.216 58 A C 2.341 179.908 177.584 -0.029 0.000 1.186 58 A CA 2.174 54.284 52.037 0.122 0.000 0.620 58 A CB -0.858 18.320 19.000 0.297 0.000 0.822 58 A HN 0.560 nan 8.150 nan 0.000 0.443 59 M N -2.169 117.465 119.600 0.058 0.000 2.108 59 M HA -0.137 4.381 4.480 0.062 0.000 0.261 59 M C 2.144 178.381 176.300 -0.104 0.000 1.066 59 M CA 1.916 57.236 55.300 0.034 0.000 1.107 59 M CB -0.467 32.274 32.600 0.235 0.000 1.356 59 M HN 0.541 nan 8.290 nan 0.000 0.406 60 F N 1.380 121.233 119.950 -0.162 0.000 2.075 60 F HA -0.258 4.307 4.527 0.063 0.000 0.297 60 F C 2.021 177.651 175.800 -0.283 0.000 1.113 60 F CA 2.200 60.094 58.000 -0.177 0.000 1.218 60 F CB -0.392 38.530 39.000 -0.130 0.000 0.984 60 F HN 0.129 nan 8.300 nan 0.000 0.472 61 D N -0.723 119.509 120.400 -0.281 0.000 2.263 61 D HA -0.135 4.543 4.640 0.062 0.000 0.208 61 D C 1.917 178.002 176.300 -0.359 0.000 0.971 61 D CA 1.309 55.103 54.000 -0.343 0.000 0.867 61 D CB -0.082 40.501 40.800 -0.362 0.000 0.929 61 D HN 0.239 nan 8.370 nan 0.000 0.492 62 S N -1.504 113.899 115.700 -0.494 0.000 2.528 62 S HA 0.272 4.779 4.470 0.062 0.000 0.219 62 S C 1.550 175.725 174.600 -0.710 0.000 0.985 62 S CA 0.532 58.303 58.200 -0.715 0.000 0.914 62 S CB 0.656 63.083 63.200 -1.289 0.000 0.776 62 S HN 0.493 nan 8.310 nan 0.000 0.526 63 G N 1.461 109.937 108.800 -0.539 0.000 2.141 63 G HA2 -0.228 3.769 3.960 0.062 0.000 0.242 63 G HA3 -0.228 3.769 3.960 0.062 0.000 0.242 63 G C -0.015 174.857 174.900 -0.047 0.000 0.982 63 G CA -0.352 44.568 45.100 -0.300 0.000 0.662 63 G HN 0.431 nan 8.290 nan 0.000 0.527 64 F N 2.504 122.411 119.950 -0.071 0.000 2.626 64 F HA 0.376 4.941 4.527 0.062 0.000 0.374 64 F C 1.471 177.246 175.800 -0.041 0.000 1.184 64 F CA -0.730 57.248 58.000 -0.037 0.000 1.339 64 F CB -0.678 38.324 39.000 0.004 0.000 1.730 64 F HN 0.140 nan 8.300 nan 0.000 0.650 65 R N 1.250 121.812 120.500 0.104 0.000 2.528 65 R HA 0.240 4.617 4.340 0.062 0.000 0.271 65 R C -1.360 174.946 176.300 0.010 0.000 1.056 65 R CA -1.557 54.569 56.100 0.043 0.000 1.117 65 R CB 0.073 30.372 30.300 -0.001 0.000 1.085 65 R HN -0.017 nan 8.270 nan 0.000 0.530 66 P HA -0.154 nan 4.420 nan 0.000 0.221 66 P C -0.203 177.081 177.300 -0.027 0.000 1.145 66 P CA 1.243 64.324 63.100 -0.031 0.000 0.795 66 P CB 0.056 31.756 31.700 -0.000 0.000 0.775 67 D N -2.402 117.996 120.400 -0.003 0.000 2.358 67 D HA 0.066 4.743 4.640 0.062 0.000 0.224 67 D C 0.553 176.855 176.300 0.003 0.000 1.123 67 D CA -0.139 53.864 54.000 0.005 0.000 0.833 67 D CB 0.012 40.822 40.800 0.015 0.000 0.946 67 D HN 0.039 nan 8.370 nan 0.000 0.505 68 R N -0.694 119.800 120.500 -0.009 0.000 2.867 68 R HA 0.524 4.901 4.340 0.062 0.000 0.268 68 R C -0.612 175.676 176.300 -0.019 0.000 1.014 68 R CA -0.988 55.114 56.100 0.004 0.000 0.946 68 R CB 1.718 32.036 30.300 0.030 0.000 1.208 68 R HN -0.087 nan 8.270 nan 0.000 0.477 69 S N 0.982 116.690 115.700 0.012 0.000 2.568 69 S HA 0.030 4.537 4.470 0.062 0.000 0.282 69 S C -0.075 174.524 174.600 -0.003 0.000 1.338 69 S CA -0.193 58.029 58.200 0.037 0.000 1.045 69 S CB 0.075 63.306 63.200 0.052 0.000 0.873 69 S HN 0.308 nan 8.310 nan 0.000 0.516 70 H N 0.646 119.699 119.070 -0.029 0.000 2.852 70 H HA 0.293 4.887 4.556 0.062 0.000 0.362 70 H C 0.415 175.656 175.328 -0.145 0.000 1.122 70 H CA 0.270 56.281 56.048 -0.062 0.000 1.419 70 H CB 0.504 30.256 29.762 -0.015 0.000 1.401 70 H HN 0.640 nan 8.280 nan 0.000 0.609 71 A N 2.830 125.542 122.820 -0.180 0.000 2.354 71 A HA 0.313 4.670 4.320 0.062 0.000 0.321 71 A C -0.184 177.287 177.584 -0.189 0.000 1.125 71 A CA -0.967 50.856 52.037 -0.357 0.000 0.799 71 A CB 1.119 19.466 19.000 -1.088 0.000 1.293 71 A HN 0.516 nan 8.150 nan 0.000 0.452 72 K N 1.262 121.581 120.400 -0.134 0.000 2.451 72 K HA 0.091 4.448 4.320 0.062 0.000 0.280 72 K C 1.212 177.789 176.600 -0.039 0.000 1.020 72 K CA 0.317 56.571 56.287 -0.055 0.000 1.008 72 K CB 0.787 33.253 32.500 -0.058 0.000 0.917 72 K HN 0.719 nan 8.250 nan 0.000 0.478 73 S N 2.421 118.144 115.700 0.039 0.000 2.392 73 S HA -0.270 4.237 4.470 0.062 0.000 0.232 73 S C 1.917 176.538 174.600 0.035 0.000 1.041 73 S CA 1.587 59.854 58.200 0.112 0.000 1.026 73 S CB -0.178 63.168 63.200 0.244 0.000 0.845 73 S HN 0.764 nan 8.310 nan 0.000 0.465 74 A N 1.866 124.642 122.820 -0.073 0.000 1.986 74 A HA -0.205 4.153 4.320 0.062 0.000 0.220 74 A C 2.191 179.782 177.584 0.012 0.000 1.171 74 A CA 1.549 53.536 52.037 -0.084 0.000 0.640 74 A CB -0.520 18.403 19.000 -0.128 0.000 0.811 74 A HN 0.444 nan 8.150 nan 0.000 0.451 75 R N -0.554 119.972 120.500 0.044 0.000 2.073 75 R HA -0.076 4.301 4.340 0.062 0.000 0.234 75 R C 2.549 179.001 176.300 0.253 0.000 1.134 75 R CA 1.608 57.792 56.100 0.140 0.000 0.952 75 R CB -0.398 29.986 30.300 0.139 0.000 0.850 75 R HN 0.546 nan 8.270 nan 0.000 0.433 76 S N 0.395 116.268 115.700 0.290 0.000 2.355 76 S HA -0.091 4.417 4.470 0.062 0.000 0.222 76 S C 2.138 176.874 174.600 0.227 0.000 1.031 76 S CA 1.140 59.541 58.200 0.335 0.000 0.993 76 S CB -0.166 63.239 63.200 0.342 0.000 0.859 76 S HN 0.063 nan 8.310 nan 0.000 0.453 77 V N 2.145 122.165 119.914 0.178 0.000 2.332 77 V HA -0.235 3.922 4.120 0.062 0.000 0.248 77 V C 2.647 178.812 176.094 0.119 0.000 1.055 77 V CA 1.804 64.191 62.300 0.144 0.000 1.038 77 V CB -1.211 30.666 31.823 0.090 0.000 0.651 77 V HN 0.546 nan 8.190 nan 0.000 0.450 78 A N 0.011 122.888 122.820 0.095 0.000 1.898 78 A HA -0.251 4.106 4.320 0.062 0.000 0.216 78 A C 2.211 179.845 177.584 0.083 0.000 1.181 78 A CA 1.978 54.059 52.037 0.073 0.000 0.620 78 A CB -0.499 18.533 19.000 0.053 0.000 0.819 78 A HN 0.605 nan 8.150 nan 0.000 0.442 79 E N -0.291 119.977 120.200 0.113 0.000 2.110 79 E HA -0.125 4.262 4.350 0.062 0.000 0.193 79 E C 1.914 178.582 176.600 0.114 0.000 0.988 79 E CA 2.032 58.489 56.400 0.095 0.000 0.804 79 E CB -0.461 29.301 29.700 0.103 0.000 0.745 79 E HN 0.506 nan 8.360 nan 0.000 0.458 80 T N 0.647 115.316 114.554 0.192 0.000 2.701 80 T HA -0.163 4.225 4.350 0.062 0.000 0.263 80 T C 1.823 176.640 174.700 0.194 0.000 1.040 80 T CA 1.456 63.728 62.100 0.286 0.000 1.147 80 T CB -0.360 68.664 68.868 0.259 0.000 0.865 80 T HN 0.238 nan 8.240 nan 0.000 0.426 81 M N 0.952 120.636 119.600 0.140 0.000 2.106 81 M HA -0.118 4.399 4.480 0.062 0.000 0.259 81 M C 2.362 178.664 176.300 0.003 0.000 1.068 81 M CA 2.074 57.426 55.300 0.088 0.000 1.100 81 M CB -0.484 32.159 32.600 0.071 0.000 1.351 81 M HN 0.384 nan 8.290 nan 0.000 0.404 82 G N -0.796 108.011 108.800 0.013 0.000 2.421 82 G HA2 -0.171 3.826 3.960 0.062 0.000 0.217 82 G HA3 -0.171 3.826 3.960 0.062 0.000 0.217 82 G C 0.976 175.914 174.900 0.064 0.000 1.143 82 G CA 1.038 46.153 45.100 0.025 0.000 0.784 82 G HN 0.543 nan 8.290 nan 0.000 0.541 83 N N -1.520 117.101 118.700 -0.132 0.000 2.432 83 N HA 0.144 4.922 4.740 0.062 0.000 0.174 83 N C 1.069 176.357 175.510 -0.370 0.000 1.037 83 N CA 0.560 53.362 53.050 -0.413 0.000 0.892 83 N CB 0.241 38.095 38.487 -1.056 0.000 1.049 83 N HN 0.446 nan 8.380 nan 0.000 0.442 84 Y N -2.395 118.075 120.300 0.282 0.000 2.550 84 Y HA 0.302 4.888 4.550 0.059 0.000 0.275 84 Y C 0.361 176.339 175.900 0.130 0.000 1.148 84 Y CA -0.157 58.091 58.100 0.247 0.000 1.200 84 Y CB 0.433 39.023 38.460 0.217 0.000 1.299 84 Y HN 0.060 nan 8.280 nan 0.000 0.509 85 H N 3.180 122.293 119.070 0.073 0.000 2.380 85 H HA 0.262 4.854 4.556 0.060 0.000 0.231 85 H C -2.491 172.788 175.328 -0.082 0.000 1.415 85 H CA -1.933 54.134 56.048 0.031 0.000 1.433 85 H CB 1.436 31.259 29.762 0.102 0.000 1.544 85 H HN 0.002 nan 8.280 nan 0.000 0.503 86 P HA -0.017 nan 4.420 nan 0.000 0.263 86 P C 0.697 177.689 177.300 -0.513 0.000 1.386 86 P CA 0.432 63.212 63.100 -0.533 0.000 0.797 86 P CB -0.308 30.834 31.700 -0.929 0.000 1.381 87 H N -1.154 117.680 119.070 -0.394 0.000 2.547 87 H HA 0.320 4.913 4.556 0.062 0.000 0.272 87 H C 1.297 176.562 175.328 -0.106 0.000 0.971 87 H CA 1.028 56.908 56.048 -0.279 0.000 1.245 87 H CB 0.937 30.461 29.762 -0.396 0.000 1.440 87 H HN 0.257 nan 8.280 nan 0.000 0.540 88 G N 0.968 109.809 108.800 0.069 0.000 2.352 88 G HA2 -0.096 3.902 3.960 0.062 0.000 0.302 88 G HA3 -0.096 3.902 3.960 0.062 0.000 0.302 88 G C -0.763 174.225 174.900 0.146 0.000 1.370 88 G CA -0.011 45.144 45.100 0.091 0.000 0.918 88 G HN 0.171 nan 8.290 nan 0.000 0.610 89 D N -0.796 119.665 120.400 0.101 0.000 2.360 89 D HA 0.325 5.003 4.640 0.062 0.000 0.210 89 D C 2.048 178.424 176.300 0.125 0.000 1.047 89 D CA 1.333 55.395 54.000 0.104 0.000 0.854 89 D CB 0.059 40.888 40.800 0.047 0.000 0.936 89 D HN 0.720 nan 8.370 nan 0.000 0.514 90 A N 1.684 124.573 122.820 0.116 0.000 1.835 90 A HA -0.188 4.169 4.320 0.062 0.000 0.215 90 A C 2.373 180.024 177.584 0.111 0.000 1.199 90 A CA 2.716 54.823 52.037 0.117 0.000 0.615 90 A CB -1.061 17.993 19.000 0.090 0.000 0.838 90 A HN 0.356 nan 8.150 nan 0.000 0.444 91 S N 0.447 116.204 115.700 0.094 0.000 2.387 91 S HA -0.188 4.319 4.470 0.062 0.000 0.230 91 S C 1.843 176.426 174.600 -0.028 0.000 1.035 91 S CA 1.665 59.880 58.200 0.024 0.000 1.014 91 S CB -0.909 62.306 63.200 0.024 0.000 0.836 91 S HN 0.506 nan 8.310 nan 0.000 0.466 92 I N -0.061 120.518 120.570 0.014 0.000 2.133 92 I HA -0.142 4.066 4.170 0.062 0.000 0.238 92 I C 2.578 178.775 176.117 0.134 0.000 1.074 92 I CA 1.783 63.102 61.300 0.030 0.000 1.342 92 I CB -0.663 37.388 38.000 0.084 0.000 1.053 92 I HN 0.201 nan 8.210 nan 0.000 0.404 93 Y N 1.953 122.273 120.300 0.033 0.000 2.207 93 Y HA -0.331 4.256 4.550 0.061 0.000 0.287 93 Y C 2.152 178.084 175.900 0.054 0.000 1.156 93 Y CA 1.833 59.959 58.100 0.043 0.000 1.182 93 Y CB -0.655 37.817 38.460 0.020 0.000 0.979 93 Y HN 0.289 nan 8.280 nan 0.000 0.521 94 D N -1.189 119.220 120.400 0.015 0.000 2.123 94 D HA -0.167 4.510 4.640 0.062 0.000 0.196 94 D C 2.160 178.449 176.300 -0.019 0.000 0.992 94 D CA 1.862 55.833 54.000 -0.049 0.000 0.833 94 D CB -0.047 40.759 40.800 0.010 0.000 0.954 94 D HN 0.308 nan 8.370 nan 0.000 0.455 95 S N -0.353 115.363 115.700 0.028 0.000 2.355 95 S HA -0.109 4.399 4.470 0.062 0.000 0.222 95 S C 1.978 176.650 174.600 0.120 0.000 1.031 95 S CA 0.611 58.880 58.200 0.115 0.000 0.993 95 S CB -0.477 62.748 63.200 0.041 0.000 0.859 95 S HN 0.348 nan 8.310 nan 0.000 0.453 96 L N 1.649 122.932 121.223 0.099 0.000 2.042 96 L HA -0.134 4.243 4.340 0.062 0.000 0.210 96 L C 2.177 179.114 176.870 0.112 0.000 1.076 96 L CA 1.288 56.210 54.840 0.137 0.000 0.749 96 L CB -0.315 41.879 42.059 0.225 0.000 0.893 96 L HN 0.142 nan 8.230 nan 0.000 0.432 97 V N 0.066 119.968 119.914 -0.019 0.000 2.261 97 V HA -0.277 3.881 4.120 0.062 0.000 0.246 97 V C 2.641 178.748 176.094 0.022 0.000 1.047 97 V CA 2.061 64.382 62.300 0.036 0.000 1.015 97 V CB -0.694 30.956 31.823 -0.288 0.000 0.642 97 V HN 0.471 nan 8.190 nan 0.000 0.446 98 R N -0.401 120.082 120.500 -0.028 0.000 2.117 98 R HA -0.154 4.223 4.340 0.062 0.000 0.243 98 R C 2.072 178.302 176.300 -0.117 0.000 1.143 98 R CA 1.572 57.632 56.100 -0.067 0.000 0.968 98 R CB -0.433 29.859 30.300 -0.015 0.000 0.863 98 R HN 0.452 nan 8.270 nan 0.000 0.444 99 M N -0.299 119.260 119.600 -0.068 0.000 2.618 99 M HA 0.050 4.567 4.480 0.062 0.000 0.240 99 M C 1.624 177.845 176.300 -0.131 0.000 1.123 99 M CA 0.451 55.700 55.300 -0.085 0.000 1.060 99 M CB 0.417 33.006 32.600 -0.020 0.000 1.535 99 M HN 0.170 nan 8.290 nan 0.000 0.507 100 A N -0.678 122.024 122.820 -0.197 0.000 2.229 100 A HA 0.141 4.498 4.320 0.062 0.000 0.211 100 A C 0.680 178.006 177.584 -0.431 0.000 1.193 100 A CA -0.165 51.672 52.037 -0.335 0.000 0.879 100 A CB 0.213 18.863 19.000 -0.583 0.000 0.911 100 A HN 0.391 nan 8.150 nan 0.000 0.492 101 Q N 1.166 120.652 119.800 -0.524 0.000 2.344 101 Q HA 0.169 4.546 4.340 0.062 0.000 0.253 101 Q C -1.748 173.792 176.000 -0.767 0.000 1.050 101 Q CA -2.008 53.191 55.803 -1.006 0.000 0.912 101 Q CB 1.097 28.910 28.738 -1.540 0.000 1.258 101 Q HN 0.291 nan 8.270 nan 0.000 0.443 102 P HA -0.163 nan 4.420 nan 0.000 0.228 102 P C 0.164 177.448 177.300 -0.025 0.000 1.151 102 P CA 1.027 64.024 63.100 -0.171 0.000 0.770 102 P CB -0.017 31.669 31.700 -0.023 0.000 0.786 103 W N -1.063 120.244 121.300 0.013 0.000 3.197 103 W HA 0.364 5.062 4.660 0.063 0.000 0.274 103 W C 1.335 177.914 176.519 0.100 0.000 1.297 103 W CA 0.264 57.634 57.345 0.042 0.000 1.662 103 W CB -1.183 28.273 29.460 -0.006 0.000 1.106 103 W HN -0.234 nan 8.180 nan 0.000 0.663 104 S N 0.538 116.124 115.700 -0.190 0.000 2.566 104 S HA 0.274 4.781 4.470 0.062 0.000 0.234 104 S C 0.591 175.236 174.600 0.075 0.000 1.075 104 S CA -0.055 58.123 58.200 -0.036 0.000 0.926 104 S CB 0.135 63.195 63.200 -0.234 0.000 0.811 104 S HN 0.006 nan 8.310 nan 0.000 0.518 105 L N 2.568 123.756 121.223 -0.059 0.000 2.287 105 L HA 0.460 4.837 4.340 0.062 0.000 0.287 105 L C 1.140 177.969 176.870 -0.069 0.000 1.022 105 L CA -0.448 54.374 54.840 -0.029 0.000 0.814 105 L CB 1.619 43.642 42.059 -0.061 0.000 1.217 105 L HN 0.088 nan 8.230 nan 0.000 0.420 106 R N 3.147 123.598 120.500 -0.081 0.000 2.105 106 R HA -0.143 4.235 4.340 0.062 0.000 0.239 106 R C -0.498 175.450 176.300 -0.587 0.000 1.135 106 R CA 1.780 57.704 56.100 -0.294 0.000 0.967 106 R CB -0.092 30.068 30.300 -0.234 0.000 0.861 106 R HN 0.475 nan 8.270 nan 0.000 0.442 107 Y N -0.257 120.032 120.300 -0.019 0.000 2.609 107 Y HA 0.402 4.989 4.550 0.062 0.000 0.350 107 Y C -2.232 173.648 175.900 -0.035 0.000 1.050 107 Y CA -3.201 54.878 58.100 -0.035 0.000 1.290 107 Y CB 1.454 39.896 38.460 -0.031 0.000 1.094 107 Y HN 0.002 nan 8.280 nan 0.000 0.583 108 P HA 0.070 nan 4.420 nan 0.000 0.267 108 P C 0.468 177.768 177.300 0.000 0.000 1.200 108 P CA 0.325 63.406 63.100 -0.033 0.000 0.772 108 P CB 1.102 32.743 31.700 -0.099 0.000 0.855 109 L N 1.157 122.381 121.223 0.002 0.000 2.515 109 L HA 0.161 4.538 4.340 0.062 0.000 0.223 109 L C 0.416 177.294 176.870 0.014 0.000 1.079 109 L CA 0.209 55.068 54.840 0.031 0.000 0.857 109 L CB 0.246 42.341 42.059 0.060 0.000 1.050 109 L HN 0.126 nan 8.230 nan 0.000 0.476 110 V N 0.011 119.911 119.914 -0.024 0.000 2.513 110 V HA 0.256 4.414 4.120 0.062 0.000 0.299 110 V C -0.880 175.155 176.094 -0.098 0.000 1.035 110 V CA -0.665 61.616 62.300 -0.031 0.000 0.889 110 V CB 2.185 33.999 31.823 -0.015 0.000 0.988 110 V HN -0.024 nan 8.190 nan 0.000 0.440 111 D N 3.501 123.862 120.400 -0.064 0.000 2.443 111 D HA 0.436 5.114 4.640 0.062 0.000 0.221 111 D C 0.303 176.590 176.300 -0.021 0.000 1.097 111 D CA -0.021 53.949 54.000 -0.049 0.000 0.865 111 D CB 1.268 42.056 40.800 -0.020 0.000 1.034 111 D HN 0.663 nan 8.370 nan 0.000 0.511 112 G N 2.505 111.122 108.800 -0.305 0.000 2.448 112 G HA2 0.454 4.451 3.960 0.062 0.000 0.285 112 G HA3 0.454 4.451 3.960 0.062 0.000 0.285 112 G C -0.678 174.101 174.900 -0.201 0.000 1.176 112 G CA -0.521 44.214 45.100 -0.608 0.000 0.852 112 G HN 0.475 nan 8.290 nan 0.000 0.530 113 Q N 0.494 120.338 119.800 0.074 0.000 2.274 113 Q HA 0.556 4.934 4.340 0.062 0.000 0.268 113 Q C 0.112 176.269 176.000 0.261 0.000 1.015 113 Q CA 0.325 56.131 55.803 0.005 0.000 0.775 113 Q CB 1.509 30.020 28.738 -0.379 0.000 1.256 113 Q HN 1.507 nan 8.270 nan 0.000 0.442 114 G N 2.906 111.838 108.800 0.221 0.000 2.384 114 G HA2 -0.213 3.785 3.960 0.062 0.000 0.204 114 G HA3 -0.213 3.785 3.960 0.062 0.000 0.204 114 G C -1.216 173.847 174.900 0.272 0.000 1.237 114 G CA -0.575 44.648 45.100 0.205 0.000 1.060 114 G HN 0.645 nan 8.290 nan 0.000 0.514 115 N N 0.661 119.453 118.700 0.153 0.000 2.482 115 N HA 0.491 5.268 4.740 0.062 0.000 0.242 115 N C -0.041 175.516 175.510 0.078 0.000 1.100 115 N CA -0.474 52.658 53.050 0.137 0.000 0.946 115 N CB -0.386 38.142 38.487 0.068 0.000 1.227 115 N HN 0.366 nan 8.380 nan 0.000 0.508 116 F N 2.117 122.146 119.950 0.131 0.000 2.730 116 F HA 0.366 4.930 4.527 0.061 0.000 0.295 116 F C 1.649 177.571 175.800 0.204 0.000 1.143 116 F CA 0.448 58.516 58.000 0.113 0.000 1.367 116 F CB -0.087 38.943 39.000 0.049 0.000 0.970 116 F HN 0.634 nan 8.300 nan 0.000 0.514 117 G N 0.685 109.664 108.800 0.299 0.000 2.568 117 G HA2 0.045 4.043 3.960 0.062 0.000 0.222 117 G HA3 0.045 4.043 3.960 0.062 0.000 0.222 117 G C -0.388 174.674 174.900 0.270 0.000 1.321 117 G CA -0.438 44.825 45.100 0.272 0.000 0.893 117 G HN 0.852 nan 8.290 nan 0.000 0.569 118 S N -1.637 114.090 115.700 0.046 0.000 2.643 118 S HA 0.773 5.280 4.470 0.062 0.000 0.270 118 S C -2.559 171.479 174.600 -0.938 0.000 1.166 118 S CA -0.072 57.771 58.200 -0.595 0.000 0.815 118 S CB 1.855 64.843 63.200 -0.354 0.000 1.139 118 S HN 0.538 nan 8.310 nan 0.000 0.472 119 P HA 0.165 nan 4.420 nan 0.000 0.228 119 P C 0.835 177.692 177.300 -0.739 0.000 1.151 119 P CA 1.339 63.596 63.100 -1.406 0.000 0.770 119 P CB -0.382 30.255 31.700 -1.772 0.000 0.786 120 G N -0.750 107.769 108.800 -0.469 0.000 2.945 120 G HA2 0.071 4.068 3.960 0.062 0.000 0.156 120 G HA3 0.071 4.068 3.960 0.062 0.000 0.156 120 G C 0.729 175.571 174.900 -0.096 0.000 1.375 120 G CA -0.212 44.776 45.100 -0.188 0.000 1.039 120 G HN -0.070 nan 8.290 nan 0.000 0.586 121 N N 0.609 119.283 118.700 -0.043 0.000 2.353 121 N HA 0.062 4.840 4.740 0.062 0.000 0.185 121 N C -0.446 175.062 175.510 -0.004 0.000 1.098 121 N CA 0.130 53.173 53.050 -0.011 0.000 0.872 121 N CB 0.103 38.591 38.487 0.002 0.000 0.970 121 N HN 0.403 nan 8.380 nan 0.000 0.467 122 D N 2.560 122.949 120.400 -0.018 0.000 2.451 122 D HA 0.038 4.716 4.640 0.062 0.000 0.254 122 D C -2.134 174.183 176.300 0.028 0.000 1.204 122 D CA -0.513 53.486 54.000 -0.001 0.000 0.896 122 D CB 0.488 41.279 40.800 -0.015 0.000 1.136 122 D HN 0.225 nan 8.370 nan 0.000 0.499 123 P HA 0.279 nan 4.420 nan 0.000 0.281 123 P C -2.636 174.698 177.300 0.057 0.000 1.249 123 P CA -1.669 61.461 63.100 0.050 0.000 0.810 123 P CB 0.310 32.037 31.700 0.045 0.000 1.008 124 P HA 0.226 nan 4.420 nan 0.000 0.274 124 P C -0.252 177.085 177.300 0.061 0.000 1.237 124 P CA -0.231 62.887 63.100 0.030 0.000 0.793 124 P CB 0.260 31.924 31.700 -0.060 0.000 0.977 125 A N 1.372 124.224 122.820 0.053 0.000 2.310 125 A HA 0.551 4.909 4.320 0.062 0.000 0.260 125 A C 0.381 178.078 177.584 0.188 0.000 1.112 125 A CA -0.013 52.101 52.037 0.128 0.000 0.804 125 A CB -0.553 18.527 19.000 0.134 0.000 1.081 125 A HN 0.604 nan 8.150 nan 0.000 0.499 126 A N 0.246 123.188 122.820 0.204 0.000 2.366 126 A HA 0.419 4.777 4.320 0.062 0.000 0.249 126 A C 1.372 178.805 177.584 -0.251 0.000 1.084 126 A CA 0.244 52.270 52.037 -0.018 0.000 0.794 126 A CB -0.245 18.703 19.000 -0.086 0.000 1.034 126 A HN 1.365 nan 8.150 nan 0.000 0.491 127 M N 1.292 120.481 119.600 -0.685 0.000 2.337 127 M HA -0.195 4.323 4.480 0.062 0.000 0.261 127 M C 1.609 177.673 176.300 -0.394 0.000 1.067 127 M CA 2.278 57.090 55.300 -0.814 0.000 1.074 127 M CB -0.608 31.352 32.600 -1.068 0.000 1.395 127 M HN 0.802 nan 8.290 nan 0.000 0.431 128 R N -0.741 119.501 120.500 -0.431 0.000 2.240 128 R HA -0.027 4.351 4.340 0.062 0.000 0.203 128 R C 0.625 176.715 176.300 -0.350 0.000 1.011 128 R CA 0.878 56.730 56.100 -0.412 0.000 1.007 128 R CB -0.525 29.460 30.300 -0.525 0.000 0.911 128 R HN 0.410 nan 8.270 nan 0.000 0.468 129 Y N 1.877 122.133 120.300 -0.073 0.000 2.497 129 Y HA 0.139 4.727 4.550 0.063 0.000 0.265 129 Y C 1.150 177.034 175.900 -0.025 0.000 1.111 129 Y CA 0.216 58.292 58.100 -0.040 0.000 1.288 129 Y CB 0.244 38.683 38.460 -0.034 0.000 1.082 129 Y HN 0.094 nan 8.280 nan 0.000 0.536 130 T N -1.407 113.197 114.554 0.083 0.000 2.943 130 T HA 0.626 5.013 4.350 0.062 0.000 0.284 130 T C -0.365 174.412 174.700 0.129 0.000 1.015 130 T CA -0.806 61.343 62.100 0.080 0.000 1.042 130 T CB 2.455 71.244 68.868 -0.132 0.000 1.055 130 T HN 0.084 nan 8.240 nan 0.000 0.500 131 E N -0.254 120.083 120.200 0.228 0.000 2.312 131 E HA 0.675 5.062 4.350 0.062 0.000 0.267 131 E C -1.064 175.747 176.600 0.352 0.000 0.894 131 E CA -1.366 55.154 56.400 0.200 0.000 0.773 131 E CB 2.345 32.111 29.700 0.110 0.000 1.241 131 E HN 0.985 nan 8.360 nan 0.000 0.432 132 A N 2.094 125.080 122.820 0.277 0.000 2.606 132 A HA 0.827 5.185 4.320 0.062 0.000 0.293 132 A C -1.263 176.388 177.584 0.112 0.000 1.082 132 A CA -0.764 51.442 52.037 0.282 0.000 0.685 132 A CB 1.833 21.024 19.000 0.318 0.000 1.284 132 A HN 0.709 nan 8.150 nan 0.000 0.408 133 R N 0.514 121.049 120.500 0.058 0.000 2.728 133 R HA 0.656 5.034 4.340 0.062 0.000 0.274 133 R C -1.843 174.472 176.300 0.026 0.000 1.030 133 R CA -0.921 55.179 56.100 0.000 0.000 0.876 133 R CB 0.475 30.651 30.300 -0.207 0.000 1.259 133 R HN 0.557 nan 8.270 nan 0.000 0.468 134 L N 1.837 123.104 121.223 0.073 0.000 2.439 134 L HA 0.277 4.654 4.340 0.062 0.000 0.269 134 L C 0.821 177.699 176.870 0.013 0.000 1.179 134 L CA -0.289 54.592 54.840 0.069 0.000 0.828 134 L CB 1.166 43.301 42.059 0.126 0.000 1.106 134 L HN 0.863 nan 8.230 nan 0.000 0.467 135 T N -1.037 113.517 114.554 0.001 0.000 2.847 135 T HA 0.266 4.654 4.350 0.062 0.000 0.279 135 T C -1.972 172.697 174.700 -0.052 0.000 0.984 135 T CA -1.768 60.312 62.100 -0.033 0.000 0.988 135 T CB 1.293 70.131 68.868 -0.050 0.000 1.040 135 T HN 0.329 nan 8.240 nan 0.000 0.528 136 P HA 0.054 nan 4.420 nan 0.000 0.218 136 P C 1.683 178.781 177.300 -0.338 0.000 1.149 136 P CA 0.653 63.666 63.100 -0.145 0.000 0.817 136 P CB -0.019 31.637 31.700 -0.073 0.000 0.785 137 L N -1.159 119.791 121.223 -0.454 0.000 2.093 137 L HA -0.129 4.248 4.340 0.062 0.000 0.208 137 L C 2.340 179.117 176.870 -0.155 0.000 1.085 137 L CA 1.412 55.925 54.840 -0.545 0.000 0.755 137 L CB -0.921 40.742 42.059 -0.660 0.000 0.904 137 L HN -0.027 nan 8.230 nan 0.000 0.435 138 A N -0.582 122.220 122.820 -0.030 0.000 1.933 138 A HA -0.216 4.141 4.320 0.062 0.000 0.218 138 A C 2.203 179.839 177.584 0.088 0.000 1.175 138 A CA 1.293 53.383 52.037 0.089 0.000 0.628 138 A CB -0.319 18.729 19.000 0.080 0.000 0.814 138 A HN 0.277 nan 8.150 nan 0.000 0.444 139 M N -0.115 119.523 119.600 0.064 0.000 2.279 139 M HA -0.085 4.433 4.480 0.062 0.000 0.264 139 M C 1.600 177.951 176.300 0.085 0.000 1.062 139 M CA 1.077 56.446 55.300 0.115 0.000 1.099 139 M CB -1.120 31.548 32.600 0.113 0.000 1.394 139 M HN 0.392 nan 8.290 nan 0.000 0.426 140 E N -0.432 119.807 120.200 0.064 0.000 2.158 140 E HA -0.019 4.368 4.350 0.062 0.000 0.191 140 E C 2.049 178.739 176.600 0.150 0.000 0.982 140 E CA 0.721 57.187 56.400 0.110 0.000 0.823 140 E CB -0.221 29.544 29.700 0.107 0.000 0.766 140 E HN 0.498 nan 8.360 nan 0.000 0.468 141 M N -0.110 119.592 119.600 0.171 0.000 2.229 141 M HA -0.065 4.453 4.480 0.062 0.000 0.264 141 M C 1.396 177.680 176.300 -0.028 0.000 1.063 141 M CA 0.907 56.260 55.300 0.087 0.000 1.114 141 M CB -0.116 32.533 32.600 0.081 0.000 1.387 141 M HN 0.044 nan 8.290 nan 0.000 0.420 142 L N -0.640 120.522 121.223 -0.101 0.000 2.607 142 L HA 0.188 4.566 4.340 0.062 0.000 0.228 142 L C 1.054 177.768 176.870 -0.260 0.000 1.123 142 L CA 0.223 54.861 54.840 -0.337 0.000 0.890 142 L CB -0.845 40.723 42.059 -0.818 0.000 1.103 142 L HN 0.240 nan 8.230 nan 0.000 0.468 143 R N 1.904 122.365 120.500 -0.064 0.000 2.486 143 R HA -0.084 4.293 4.340 0.062 0.000 0.303 143 R C 0.109 176.410 176.300 0.002 0.000 0.958 143 R CA 0.501 56.610 56.100 0.015 0.000 1.077 143 R CB 0.034 30.365 30.300 0.051 0.000 0.921 143 R HN 0.301 nan 8.270 nan 0.000 0.406 144 E N 2.125 122.349 120.200 0.040 0.000 3.070 144 E HA -0.279 4.108 4.350 0.062 0.000 0.285 144 E C 0.669 177.263 176.600 -0.009 0.000 0.972 144 E CA 0.802 57.214 56.400 0.021 0.000 0.915 144 E CB -1.311 28.392 29.700 0.004 0.000 1.466 144 E HN 0.744 nan 8.360 nan 0.000 0.432 145 I N 1.197 121.768 120.570 0.001 0.000 2.756 145 I HA -0.171 4.036 4.170 0.062 0.000 0.262 145 I C 1.539 177.710 176.117 0.090 0.000 1.225 145 I CA 1.649 62.974 61.300 0.042 0.000 1.472 145 I CB 0.100 38.104 38.000 0.006 0.000 1.094 145 I HN 0.212 nan 8.210 nan 0.000 0.454 146 D N 0.042 120.471 120.400 0.048 0.000 2.325 146 D HA -0.059 4.619 4.640 0.062 0.000 0.225 146 D C 0.358 176.482 176.300 -0.294 0.000 1.096 146 D CA 0.153 54.129 54.000 -0.040 0.000 0.844 146 D CB -0.087 40.748 40.800 0.059 0.000 0.925 146 D HN 0.497 nan 8.370 nan 0.000 0.513 147 E N 1.230 121.193 120.200 -0.395 0.000 2.815 147 E HA 0.063 4.451 4.350 0.062 0.000 0.211 147 E C -0.582 175.573 176.600 -0.742 0.000 1.004 147 E CA -0.298 55.537 56.400 -0.943 0.000 1.173 147 E CB 0.152 29.585 29.700 -0.445 0.000 1.163 147 E HN 0.245 nan 8.360 nan 0.000 0.449 148 E N -0.114 119.819 120.200 -0.446 0.000 2.360 148 E HA -0.251 4.137 4.350 0.062 0.000 0.238 148 E C 0.730 177.299 176.600 -0.051 0.000 1.186 148 E CA 0.876 57.181 56.400 -0.157 0.000 0.719 148 E CB -1.944 27.713 29.700 -0.072 0.000 1.236 148 E HN 0.461 nan 8.360 nan 0.000 0.386 149 T N -3.096 111.433 114.554 -0.043 0.000 3.043 149 T HA 0.197 4.585 4.350 0.062 0.000 0.263 149 T C 1.069 175.773 174.700 0.007 0.000 1.094 149 T CA 0.605 62.689 62.100 -0.027 0.000 1.127 149 T CB 0.165 69.002 68.868 -0.052 0.000 0.905 149 T HN 0.387 nan 8.240 nan 0.000 0.490 150 V N -2.195 117.753 119.914 0.057 0.000 3.130 150 V HA 0.612 4.769 4.120 0.062 0.000 0.310 150 V C -1.755 174.395 176.094 0.093 0.000 1.158 150 V CA -1.484 60.842 62.300 0.043 0.000 1.029 150 V CB 2.130 33.932 31.823 -0.033 0.000 1.057 150 V HN -0.034 nan 8.190 nan 0.000 0.436 151 D N 1.868 122.282 120.400 0.023 0.000 2.308 151 D HA 0.487 5.165 4.640 0.062 0.000 0.251 151 D C -0.829 175.466 176.300 -0.009 0.000 1.127 151 D CA 0.554 54.588 54.000 0.057 0.000 0.876 151 D CB 1.280 42.089 40.800 0.015 0.000 1.176 151 D HN 0.463 nan 8.370 nan 0.000 0.446 152 F N 1.448 121.363 119.950 -0.059 0.000 2.440 152 F HA 0.534 5.099 4.527 0.064 0.000 0.328 152 F C 0.709 176.487 175.800 -0.038 0.000 1.070 152 F CA -0.914 57.043 58.000 -0.071 0.000 1.011 152 F CB 1.171 40.135 39.000 -0.061 0.000 1.226 152 F HN 0.205 nan 8.300 nan 0.000 0.491 153 I N -0.773 119.877 120.570 0.134 0.000 3.006 153 I HA 0.627 4.834 4.170 0.062 0.000 0.306 153 I C -3.103 173.085 176.117 0.119 0.000 1.250 153 I CA -2.804 58.553 61.300 0.095 0.000 0.996 153 I CB 2.383 40.405 38.000 0.037 0.000 1.261 153 I HN 0.190 nan 8.210 nan 0.000 0.442 154 P HA 0.107 nan 4.420 nan 0.000 0.269 154 P C -0.892 176.477 177.300 0.115 0.000 1.209 154 P CA -0.100 63.058 63.100 0.097 0.000 0.776 154 P CB 0.350 32.083 31.700 0.055 0.000 0.876 155 N N 2.277 121.059 118.700 0.136 0.000 2.366 155 N HA -0.050 4.728 4.740 0.062 0.000 0.277 155 N C 1.251 176.836 175.510 0.124 0.000 1.275 155 N CA -0.236 52.935 53.050 0.202 0.000 0.964 155 N CB -0.472 38.178 38.487 0.271 0.000 1.167 155 N HN 0.470 nan 8.380 nan 0.000 0.568 156 Y N -0.746 119.608 120.300 0.090 0.000 2.181 156 Y HA -0.198 4.386 4.550 0.058 0.000 0.284 156 Y C 1.106 177.019 175.900 0.023 0.000 1.179 156 Y CA 2.044 60.174 58.100 0.050 0.000 1.179 156 Y CB -0.870 37.612 38.460 0.037 0.000 0.973 156 Y HN 0.595 nan 8.280 nan 0.000 0.519 157 D N -1.416 118.543 120.400 -0.735 0.000 2.398 157 D HA 0.182 4.860 4.640 0.062 0.000 0.210 157 D C 1.818 177.963 176.300 -0.257 0.000 1.094 157 D CA 0.373 54.060 54.000 -0.522 0.000 0.839 157 D CB -0.114 40.244 40.800 -0.736 0.000 0.963 157 D HN 0.590 nan 8.370 nan 0.000 0.506 158 G N 1.152 109.846 108.800 -0.175 0.000 2.168 158 G HA2 -0.364 3.633 3.960 0.062 0.000 0.263 158 G HA3 -0.364 3.633 3.960 0.062 0.000 0.263 158 G C 1.299 176.158 174.900 -0.068 0.000 0.977 158 G CA 0.389 45.443 45.100 -0.077 0.000 0.659 158 G HN 0.304 nan 8.290 nan 0.000 0.533 159 R N -0.391 120.042 120.500 -0.111 0.000 2.119 159 R HA 0.239 4.616 4.340 0.062 0.000 0.222 159 R C 1.487 177.775 176.300 -0.020 0.000 1.088 159 R CA 1.633 57.690 56.100 -0.073 0.000 0.984 159 R CB -0.471 29.767 30.300 -0.104 0.000 0.884 159 R HN 1.051 nan 8.270 nan 0.000 0.447 160 V N -2.150 117.770 119.914 0.010 0.000 3.126 160 V HA 0.473 4.631 4.120 0.062 0.000 0.314 160 V C -0.500 175.695 176.094 0.169 0.000 1.138 160 V CA -1.227 61.131 62.300 0.097 0.000 1.034 160 V CB 2.599 34.500 31.823 0.131 0.000 1.075 160 V HN -0.106 nan 8.190 nan 0.000 0.442 161 Q N 1.329 121.269 119.800 0.232 0.000 2.235 161 Q HA 0.563 4.940 4.340 0.062 0.000 0.256 161 Q C -0.835 175.448 176.000 0.473 0.000 0.951 161 Q CA -0.359 55.626 55.803 0.303 0.000 0.890 161 Q CB 2.514 31.386 28.738 0.222 0.000 1.279 161 Q HN 1.029 nan 8.270 nan 0.000 0.444 162 E N 1.244 121.648 120.200 0.339 0.000 2.369 162 E HA 0.618 5.005 4.350 0.062 0.000 0.270 162 E C -2.770 173.492 176.600 -0.563 0.000 0.909 162 E CA -2.311 54.065 56.400 -0.040 0.000 0.775 162 E CB 2.264 31.934 29.700 -0.049 0.000 1.270 162 E HN 0.152 nan 8.360 nan 0.000 0.445 163 P HA 0.035 nan 4.420 nan 0.000 0.284 163 P C 0.565 177.492 177.300 -0.622 0.000 1.253 163 P CA -0.330 62.001 63.100 -1.282 0.000 0.800 163 P CB 1.483 32.397 31.700 -1.310 0.000 0.961 164 T N -0.059 114.219 114.554 -0.460 0.000 3.043 164 T HA 0.140 4.527 4.350 0.062 0.000 0.263 164 T C 0.734 175.285 174.700 -0.248 0.000 1.094 164 T CA 0.378 62.319 62.100 -0.266 0.000 1.127 164 T CB -0.099 68.664 68.868 -0.176 0.000 0.905 164 T HN 0.326 nan 8.240 nan 0.000 0.490 165 V N -0.156 119.584 119.914 -0.290 0.000 3.264 165 V HA 0.525 4.682 4.120 0.062 0.000 0.294 165 V C -1.795 174.163 176.094 -0.226 0.000 1.429 165 V CA -1.452 60.707 62.300 -0.235 0.000 1.053 165 V CB 2.254 33.941 31.823 -0.227 0.000 1.128 165 V HN 0.376 nan 8.190 nan 0.000 0.452 166 L N 4.212 125.342 121.223 -0.154 0.000 2.352 166 L HA 0.510 4.887 4.340 0.062 0.000 0.269 166 L C -1.691 175.203 176.870 0.041 0.000 1.034 166 L CA -1.786 52.991 54.840 -0.105 0.000 0.806 166 L CB 1.856 43.854 42.059 -0.101 0.000 1.244 166 L HN 0.454 nan 8.230 nan 0.000 0.447 167 P HA -0.191 nan 4.420 nan 0.000 0.217 167 P C 0.615 177.969 177.300 0.091 0.000 1.148 167 P CA 0.988 64.099 63.100 0.019 0.000 0.828 167 P CB 0.159 31.832 31.700 -0.044 0.000 0.783 168 S N -1.472 114.275 115.700 0.078 0.000 3.697 168 S HA -0.192 4.316 4.470 0.062 0.000 0.388 168 S C 1.134 175.816 174.600 0.137 0.000 0.941 168 S CA -0.033 58.215 58.200 0.080 0.000 1.247 168 S CB -1.095 62.198 63.200 0.155 0.000 0.904 168 S HN 0.034 nan 8.310 nan 0.000 0.518 169 R N 0.266 120.845 120.500 0.132 0.000 2.355 169 R HA 0.084 4.462 4.340 0.062 0.000 0.219 169 R C 0.710 177.199 176.300 0.315 0.000 1.107 169 R CA 1.303 57.511 56.100 0.180 0.000 1.021 169 R CB -1.048 29.338 30.300 0.142 0.000 0.852 169 R HN 0.773 nan 8.270 nan 0.000 0.475 170 F N -1.846 118.172 119.950 0.114 0.000 2.578 170 F HA 0.536 5.102 4.527 0.064 0.000 0.311 170 F C -2.622 173.089 175.800 -0.148 0.000 1.094 170 F CA -3.473 54.524 58.000 -0.005 0.000 0.923 170 F CB 1.882 40.821 39.000 -0.101 0.000 1.230 170 F HN -0.285 nan 8.300 nan 0.000 0.450 171 P HA 0.056 nan 4.420 nan 0.000 0.238 171 P C 0.092 176.970 177.300 -0.703 0.000 1.679 171 P CA 0.519 62.998 63.100 -1.034 0.000 1.080 171 P CB -0.067 31.062 31.700 -0.953 0.000 1.961 172 N N 1.793 119.971 118.700 -0.869 0.000 2.061 172 N HA -0.207 4.571 4.740 0.062 0.000 0.193 172 N C 1.445 176.782 175.510 -0.289 0.000 1.030 172 N CA 1.183 53.842 53.050 -0.650 0.000 0.856 172 N CB -0.716 37.356 38.487 -0.692 0.000 1.023 172 N HN 0.133 nan 8.380 nan 0.000 0.424 173 L N 0.280 121.351 121.223 -0.254 0.000 2.043 173 L HA -0.071 4.306 4.340 0.062 0.000 0.212 173 L C 1.913 178.731 176.870 -0.086 0.000 1.075 173 L CA 1.650 56.408 54.840 -0.137 0.000 0.752 173 L CB -0.573 41.417 42.059 -0.115 0.000 0.891 173 L HN 0.331 nan 8.230 nan 0.000 0.432 174 L N -1.346 119.789 121.223 -0.146 0.000 2.209 174 L HA 0.016 4.393 4.340 0.062 0.000 0.207 174 L C 2.545 179.442 176.870 0.046 0.000 1.094 174 L CA 0.727 55.511 54.840 -0.093 0.000 0.790 174 L CB -0.590 41.298 42.059 -0.284 0.000 0.932 174 L HN 0.362 nan 8.230 nan 0.000 0.447 175 A N 0.187 122.988 122.820 -0.032 0.000 1.855 175 A HA -0.166 4.192 4.320 0.062 0.000 0.215 175 A C 1.950 179.642 177.584 0.181 0.000 1.191 175 A CA 1.677 53.764 52.037 0.084 0.000 0.613 175 A CB -0.361 18.661 19.000 0.036 0.000 0.829 175 A HN 0.382 nan 8.150 nan 0.000 0.442 176 N N -0.943 117.830 118.700 0.121 0.000 2.356 176 N HA 0.229 5.006 4.740 0.062 0.000 0.178 176 N C 1.064 176.614 175.510 0.066 0.000 1.075 176 N CA 1.043 54.157 53.050 0.108 0.000 0.889 176 N CB 0.405 38.949 38.487 0.095 0.000 0.999 176 N HN 0.650 nan 8.380 nan 0.000 0.464 177 G N 0.439 109.277 108.800 0.064 0.000 2.698 177 G HA2 -0.188 3.810 3.960 0.062 0.000 0.233 177 G HA3 -0.188 3.810 3.960 0.062 0.000 0.233 177 G C -0.653 174.302 174.900 0.093 0.000 1.352 177 G CA -0.056 45.103 45.100 0.098 0.000 0.879 177 G HN 0.344 nan 8.290 nan 0.000 0.567 178 S N -1.745 114.041 115.700 0.143 0.000 2.580 178 S HA 0.709 5.216 4.470 0.062 0.000 0.281 178 S C -0.202 174.483 174.600 0.142 0.000 1.129 178 S CA 0.564 58.830 58.200 0.110 0.000 0.862 178 S CB 1.460 64.694 63.200 0.057 0.000 1.090 178 S HN 2.363 nan 8.310 nan 0.000 0.451 179 G N 0.845 109.710 108.800 0.108 0.000 2.719 179 G HA2 0.674 4.671 3.960 0.062 0.000 0.284 179 G HA3 0.674 4.671 3.960 0.062 0.000 0.284 179 G C -0.450 174.483 174.900 0.055 0.000 1.488 179 G CA 0.039 45.190 45.100 0.085 0.000 1.139 179 G HN 0.958 nan 8.290 nan 0.000 0.552 180 G N 0.051 108.873 108.800 0.037 0.000 2.677 180 G HA2 0.621 4.618 3.960 0.062 0.000 0.291 180 G HA3 0.621 4.618 3.960 0.062 0.000 0.291 180 G C -1.791 173.116 174.900 0.011 0.000 1.435 180 G CA -0.696 44.420 45.100 0.028 0.000 0.826 180 G HN 0.925 nan 8.290 nan 0.000 0.491 181 I N 0.851 121.426 120.570 0.007 0.000 2.447 181 I HA 0.627 4.835 4.170 0.062 0.000 0.287 181 I C 0.774 176.890 176.117 -0.001 0.000 1.023 181 I CA -0.701 60.599 61.300 -0.000 0.000 1.083 181 I CB 1.907 39.905 38.000 -0.004 0.000 1.245 181 I HN 0.706 nan 8.210 nan 0.000 0.434 182 A N 5.768 128.586 122.820 -0.004 0.000 1.982 182 A HA 0.394 4.751 4.320 0.062 0.000 0.217 182 A C 0.295 177.876 177.584 -0.006 0.000 1.457 182 A CA 0.446 52.480 52.037 -0.006 0.000 0.654 182 A CB 0.230 19.225 19.000 -0.009 0.000 1.150 182 A HN 0.438 nan 8.150 nan 0.000 0.509 183 V N -0.326 119.584 119.914 -0.007 0.000 2.467 183 V HA 0.535 4.693 4.120 0.062 0.000 0.260 183 V C 0.912 177.002 176.094 -0.007 0.000 0.963 183 V CA 0.225 62.522 62.300 -0.006 0.000 0.856 183 V CB -0.095 31.724 31.823 -0.007 0.000 1.087 183 V HN 1.409 nan 8.190 nan 0.000 0.467 184 G N 4.201 112.997 108.800 -0.007 0.000 2.435 184 G HA2 -0.322 3.676 3.960 0.062 0.000 0.245 184 G HA3 -0.322 3.676 3.960 0.062 0.000 0.245 184 G C 0.347 175.241 174.900 -0.009 0.000 1.073 184 G CA 0.730 45.825 45.100 -0.008 0.000 0.638 184 G HN 0.751 nan 8.290 nan 0.000 0.521 185 M N -0.017 119.578 119.600 -0.009 0.000 2.144 185 M HA 0.781 5.299 4.480 0.062 0.000 0.356 185 M C -0.116 176.178 176.300 -0.009 0.000 1.217 185 M CA 0.050 55.344 55.300 -0.010 0.000 1.087 185 M CB 1.903 34.497 32.600 -0.010 0.000 1.609 185 M HN 0.883 nan 8.290 nan 0.000 0.467 186 A N 2.345 125.158 122.820 -0.011 0.000 2.343 186 A HA 0.658 5.015 4.320 0.062 0.000 0.308 186 A C -0.209 177.371 177.584 -0.007 0.000 1.092 186 A CA -0.698 51.334 52.037 -0.010 0.000 0.751 186 A CB 1.553 20.544 19.000 -0.016 0.000 1.203 186 A HN 0.845 nan 8.150 nan 0.000 0.452 187 T N 0.780 115.337 114.554 0.005 0.000 2.899 187 T HA 0.415 4.803 4.350 0.062 0.000 0.295 187 T C -0.147 174.568 174.700 0.025 0.000 1.033 187 T CA 0.009 62.121 62.100 0.019 0.000 1.084 187 T CB 0.091 68.976 68.868 0.028 0.000 0.979 187 T HN 0.659 nan 8.240 nan 0.000 0.532 188 N N 3.130 121.860 118.700 0.050 0.000 2.824 188 N HA 0.293 5.070 4.740 0.062 0.000 0.224 188 N C -1.489 174.162 175.510 0.234 0.000 1.418 188 N CA -0.314 52.777 53.050 0.067 0.000 0.743 188 N CB 0.087 38.496 38.487 -0.130 0.000 1.395 188 N HN 0.573 nan 8.380 nan 0.000 0.548 189 I N 2.316 123.051 120.570 0.275 0.000 2.365 189 I HA 0.454 4.662 4.170 0.062 0.000 0.291 189 I C -1.820 174.523 176.117 0.376 0.000 1.004 189 I CA -1.729 59.758 61.300 0.310 0.000 1.311 189 I CB 1.484 39.598 38.000 0.190 0.000 1.401 189 I HN 0.210 nan 8.210 nan 0.000 0.491 190 P HA 0.369 nan 4.420 nan 0.000 0.281 190 P C -2.771 174.360 177.300 -0.282 0.000 1.264 190 P CA -2.154 60.849 63.100 -0.163 0.000 0.824 190 P CB 0.502 31.857 31.700 -0.576 0.000 1.092 191 P HA 0.312 nan 4.420 nan 0.000 0.276 191 P C -0.763 176.147 177.300 -0.649 0.000 1.252 191 P CA 0.210 63.089 63.100 -0.368 0.000 0.802 191 P CB 0.515 31.988 31.700 -0.379 0.000 1.035 192 H N -1.600 117.376 119.070 -0.157 0.000 2.977 192 H HA 0.309 4.903 4.556 0.062 0.000 0.350 192 H C 0.076 175.403 175.328 -0.002 0.000 1.238 192 H CA -0.730 55.238 56.048 -0.134 0.000 1.124 192 H CB 1.026 30.720 29.762 -0.114 0.000 1.866 192 H HN 0.320 nan 8.280 nan 0.000 0.550 193 N N 1.619 120.390 118.700 0.117 0.000 2.470 193 N HA -0.038 4.739 4.740 0.062 0.000 0.268 193 N C 0.763 176.322 175.510 0.082 0.000 1.136 193 N CA -0.079 53.051 53.050 0.133 0.000 0.961 193 N CB 1.000 39.523 38.487 0.060 0.000 1.067 193 N HN 0.487 nan 8.380 nan 0.000 0.468 194 L N 5.989 127.254 121.223 0.071 0.000 2.046 194 L HA -0.091 4.286 4.340 0.062 0.000 0.208 194 L C 2.317 179.135 176.870 -0.087 0.000 1.077 194 L CA 1.630 56.379 54.840 -0.151 0.000 0.747 194 L CB -0.293 41.513 42.059 -0.421 0.000 0.896 194 L HN 0.590 nan 8.230 nan 0.000 0.432 195 R N -0.500 119.991 120.500 -0.014 0.000 2.081 195 R HA -0.143 4.234 4.340 0.062 0.000 0.235 195 R C 2.109 178.395 176.300 -0.025 0.000 1.131 195 R CA 1.696 57.793 56.100 -0.004 0.000 0.960 195 R CB -0.368 29.952 30.300 0.032 0.000 0.856 195 R HN 0.557 nan 8.270 nan 0.000 0.436 196 E N 0.857 121.045 120.200 -0.021 0.000 2.017 196 E HA -0.173 4.214 4.350 0.062 0.000 0.193 196 E C 2.191 178.733 176.600 -0.096 0.000 0.997 196 E CA 1.030 57.408 56.400 -0.037 0.000 0.804 196 E CB -0.190 29.499 29.700 -0.018 0.000 0.757 196 E HN 0.226 nan 8.360 nan 0.000 0.448 197 L N 0.784 121.930 121.223 -0.128 0.000 2.021 197 L HA -0.281 4.097 4.340 0.062 0.000 0.215 197 L C 2.636 179.359 176.870 -0.245 0.000 1.074 197 L CA 1.238 55.958 54.840 -0.200 0.000 0.760 197 L CB -0.583 41.343 42.059 -0.222 0.000 0.889 197 L HN 0.190 nan 8.230 nan 0.000 0.433 198 A N -0.501 122.151 122.820 -0.281 0.000 1.940 198 A HA -0.260 4.097 4.320 0.062 0.000 0.219 198 A C 1.946 179.139 177.584 -0.652 0.000 1.176 198 A CA 2.085 53.794 52.037 -0.546 0.000 0.631 198 A CB -0.529 18.190 19.000 -0.469 0.000 0.814 198 A HN 0.387 nan 8.150 nan 0.000 0.446 199 D N -0.042 120.229 120.400 -0.215 0.000 2.097 199 D HA -0.077 4.600 4.640 0.062 0.000 0.195 199 D C 2.316 178.644 176.300 0.045 0.000 0.989 199 D CA 1.625 55.645 54.000 0.032 0.000 0.827 199 D CB -0.465 40.374 40.800 0.064 0.000 0.966 199 D HN 0.398 nan 8.370 nan 0.000 0.456 200 A N 0.541 123.331 122.820 -0.051 0.000 1.940 200 A HA -0.159 4.198 4.320 0.062 0.000 0.219 200 A C 2.549 180.167 177.584 0.056 0.000 1.176 200 A CA 1.410 53.428 52.037 -0.032 0.000 0.631 200 A CB -0.713 18.203 19.000 -0.140 0.000 0.814 200 A HN 0.170 nan 8.150 nan 0.000 0.446 201 V N -1.152 118.726 119.914 -0.060 0.000 2.358 201 V HA -0.188 3.970 4.120 0.062 0.000 0.246 201 V C 2.291 178.460 176.094 0.125 0.000 1.047 201 V CA 1.731 64.027 62.300 -0.007 0.000 1.035 201 V CB -0.978 30.781 31.823 -0.107 0.000 0.658 201 V HN 0.528 nan 8.190 nan 0.000 0.452 202 F N -0.955 119.075 119.950 0.132 0.000 2.171 202 F HA -0.155 4.410 4.527 0.063 0.000 0.300 202 F C 2.164 178.045 175.800 0.135 0.000 1.090 202 F CA 0.952 59.018 58.000 0.110 0.000 1.293 202 F CB -1.071 37.983 39.000 0.090 0.000 1.013 202 F HN 0.267 nan 8.300 nan 0.000 0.486 203 W N 0.776 122.185 121.300 0.181 0.000 2.355 203 W HA -0.098 4.599 4.660 0.062 0.000 0.309 203 W C 2.427 178.991 176.519 0.074 0.000 1.206 203 W CA 2.382 59.786 57.345 0.098 0.000 1.284 203 W CB -0.359 29.131 29.460 0.050 0.000 1.145 203 W HN -0.058 nan 8.180 nan 0.000 0.502 204 A N 0.032 123.119 122.820 0.445 0.000 2.019 204 A HA -0.151 4.207 4.320 0.062 0.000 0.219 204 A C 2.014 179.649 177.584 0.085 0.000 1.164 204 A CA 1.532 53.735 52.037 0.276 0.000 0.644 204 A CB -0.893 18.271 19.000 0.274 0.000 0.805 204 A HN 0.435 nan 8.150 nan 0.000 0.449 205 L N -1.225 120.065 121.223 0.111 0.000 2.109 205 L HA -0.140 4.238 4.340 0.062 0.000 0.207 205 L C 2.512 179.417 176.870 0.058 0.000 1.086 205 L CA 1.492 56.385 54.840 0.088 0.000 0.760 205 L CB -0.287 41.858 42.059 0.142 0.000 0.910 205 L HN 0.472 nan 8.230 nan 0.000 0.437 206 E N -0.464 119.717 120.200 -0.032 0.000 2.170 206 E HA -0.033 4.355 4.350 0.062 0.000 0.191 206 E C 0.390 176.852 176.600 -0.231 0.000 0.981 206 E CA 0.294 56.641 56.400 -0.087 0.000 0.830 206 E CB 0.302 29.913 29.700 -0.149 0.000 0.775 206 E HN 0.366 nan 8.360 nan 0.000 0.470 207 N N 1.178 119.580 118.700 -0.497 0.000 3.131 207 N HA 0.036 4.814 4.740 0.062 0.000 0.312 207 N C 0.020 175.276 175.510 -0.424 0.000 1.433 207 N CA 0.079 52.719 53.050 -0.684 0.000 1.141 207 N CB 0.265 37.917 38.487 -1.391 0.000 1.431 207 N HN 0.408 nan 8.380 nan 0.000 0.523 208 H N -1.298 117.650 119.070 -0.204 0.000 2.457 208 H HA 0.068 4.661 4.556 0.062 0.000 0.294 208 H C 0.485 175.762 175.328 -0.084 0.000 1.064 208 H CA 0.901 56.881 56.048 -0.112 0.000 1.330 208 H CB 0.256 29.968 29.762 -0.084 0.000 1.395 208 H HN 0.052 nan 8.280 nan 0.000 0.541 209 D N 1.163 121.332 120.400 -0.386 0.000 2.289 209 D HA 0.143 4.820 4.640 0.062 0.000 0.207 209 D C 1.202 177.433 176.300 -0.115 0.000 0.966 209 D CA 0.771 54.651 54.000 -0.200 0.000 0.868 209 D CB -0.364 40.287 40.800 -0.248 0.000 0.943 209 D HN 0.582 nan 8.370 nan 0.000 0.514 210 A N 1.812 124.554 122.820 -0.130 0.000 2.577 210 A HA 0.089 4.446 4.320 0.062 0.000 0.233 210 A C 0.649 178.258 177.584 0.042 0.000 1.076 210 A CA 0.176 52.207 52.037 -0.010 0.000 0.767 210 A CB 0.150 19.200 19.000 0.082 0.000 1.017 210 A HN 0.211 nan 8.150 nan 0.000 0.511 211 D N 0.099 120.539 120.400 0.067 0.000 2.440 211 D HA 0.192 4.869 4.640 0.062 0.000 0.258 211 D C 0.475 176.812 176.300 0.062 0.000 1.092 211 D CA -0.364 53.664 54.000 0.048 0.000 1.016 211 D CB 0.563 41.382 40.800 0.031 0.000 1.141 211 D HN 0.635 nan 8.370 nan 0.000 0.552 212 E N 0.415 120.634 120.200 0.032 0.000 2.033 212 E HA -0.253 4.135 4.350 0.062 0.000 0.199 212 E C 1.733 178.344 176.600 0.017 0.000 1.011 212 E CA 1.797 58.210 56.400 0.021 0.000 0.815 212 E CB -0.129 29.575 29.700 0.008 0.000 0.755 212 E HN 0.589 nan 8.360 nan 0.000 0.451 213 E N 0.865 121.074 120.200 0.016 0.000 2.118 213 E HA -0.228 4.159 4.350 0.062 0.000 0.195 213 E C 2.136 178.738 176.600 0.003 0.000 0.992 213 E CA 1.059 57.463 56.400 0.007 0.000 0.804 213 E CB -0.137 29.569 29.700 0.010 0.000 0.741 213 E HN 0.311 nan 8.360 nan 0.000 0.458 214 E N 0.575 120.798 120.200 0.038 0.000 2.028 214 E HA -0.143 4.245 4.350 0.062 0.000 0.190 214 E C 1.968 178.574 176.600 0.010 0.000 0.984 214 E CA 1.504 57.944 56.400 0.068 0.000 0.800 214 E CB 0.106 29.900 29.700 0.156 0.000 0.758 214 E HN 0.138 nan 8.360 nan 0.000 0.448 215 T N 1.946 116.550 114.554 0.084 0.000 2.684 215 T HA -0.191 4.196 4.350 0.062 0.000 0.267 215 T C 1.805 176.366 174.700 -0.233 0.000 1.036 215 T CA 1.202 63.285 62.100 -0.028 0.000 1.148 215 T CB -0.350 68.626 68.868 0.180 0.000 0.863 215 T HN 0.093 nan 8.240 nan 0.000 0.436 216 L N 1.504 122.656 121.223 -0.118 0.000 2.013 216 L HA -0.083 4.294 4.340 0.062 0.000 0.212 216 L C 2.623 179.390 176.870 -0.171 0.000 1.073 216 L CA 2.155 56.922 54.840 -0.121 0.000 0.753 216 L CB -1.180 40.846 42.059 -0.055 0.000 0.890 216 L HN 0.254 nan 8.230 nan 0.000 0.432 217 A N -0.883 121.838 122.820 -0.165 0.000 1.902 217 A HA -0.072 4.286 4.320 0.062 0.000 0.217 217 A C 2.432 179.839 177.584 -0.295 0.000 1.181 217 A CA 1.835 53.771 52.037 -0.168 0.000 0.623 217 A CB -1.157 17.777 19.000 -0.110 0.000 0.818 217 A HN 0.578 nan 8.150 nan 0.000 0.443 218 A N -0.083 122.422 122.820 -0.524 0.000 1.933 218 A HA -0.003 4.354 4.320 0.062 0.000 0.218 218 A C 2.345 179.482 177.584 -0.744 0.000 1.175 218 A CA 2.273 53.766 52.037 -0.906 0.000 0.628 218 A CB -1.150 16.538 19.000 -2.188 0.000 0.814 218 A HN 1.170 nan 8.150 nan 0.000 0.444 219 V N -3.221 116.345 119.914 -0.580 0.000 2.407 219 V HA -0.138 4.020 4.120 0.062 0.000 0.245 219 V C 2.217 178.139 176.094 -0.286 0.000 1.041 219 V CA 1.855 63.926 62.300 -0.381 0.000 1.040 219 V CB -0.877 30.766 31.823 -0.300 0.000 0.671 219 V HN 0.458 nan 8.190 nan 0.000 0.455 220 M N 1.168 120.629 119.600 -0.232 0.000 2.358 220 M HA -0.016 4.502 4.480 0.062 0.000 0.264 220 M C 2.116 178.370 176.300 -0.077 0.000 1.064 220 M CA 1.773 57.009 55.300 -0.107 0.000 1.093 220 M CB -0.714 31.873 32.600 -0.021 0.000 1.401 220 M HN 0.624 nan 8.290 nan 0.000 0.440 221 G N -0.202 108.511 108.800 -0.145 0.000 2.430 221 G HA2 -0.125 3.873 3.960 0.062 0.000 0.216 221 G HA3 -0.125 3.873 3.960 0.062 0.000 0.216 221 G C 1.662 176.507 174.900 -0.092 0.000 1.146 221 G CA 0.213 45.246 45.100 -0.112 0.000 0.793 221 G HN 0.349 nan 8.290 nan 0.000 0.537 222 R N -0.566 119.857 120.500 -0.128 0.000 2.112 222 R HA 0.159 4.536 4.340 0.062 0.000 0.216 222 R C 1.041 177.301 176.300 -0.067 0.000 1.080 222 R CA 0.321 56.369 56.100 -0.086 0.000 0.996 222 R CB 0.149 30.395 30.300 -0.089 0.000 0.902 222 R HN 0.261 nan 8.270 nan 0.000 0.449 223 V N 1.606 121.461 119.914 -0.097 0.000 2.339 223 V HA 0.183 4.341 4.120 0.062 0.000 0.261 223 V C 0.366 176.500 176.094 0.067 0.000 1.058 223 V CA -0.557 61.710 62.300 -0.056 0.000 0.897 223 V CB 1.185 32.897 31.823 -0.185 0.000 1.052 223 V HN 0.082 nan 8.190 nan 0.000 0.480 224 K N 4.881 125.319 120.400 0.063 0.000 2.360 224 K HA 0.265 4.622 4.320 0.062 0.000 0.201 224 K C 0.968 177.633 176.600 0.109 0.000 1.046 224 K CA 0.991 57.320 56.287 0.070 0.000 0.945 224 K CB -0.546 31.969 32.500 0.025 0.000 0.750 224 K HN 1.337 nan 8.250 nan 0.000 0.464 225 G N 0.210 109.122 108.800 0.187 0.000 2.357 225 G HA2 0.003 4.000 3.960 0.062 0.000 0.289 225 G HA3 0.003 4.000 3.960 0.062 0.000 0.289 225 G C -3.124 171.777 174.900 0.002 0.000 1.302 225 G CA -1.221 43.977 45.100 0.164 0.000 0.936 225 G HN -0.206 nan 8.290 nan 0.000 0.513 226 P HA 0.331 nan 4.420 nan 0.000 0.268 226 P C -0.823 175.995 177.300 -0.803 0.000 1.208 226 P CA 0.432 62.981 63.100 -0.919 0.000 0.777 226 P CB 0.707 31.700 31.700 -1.179 0.000 0.875 227 D N 1.957 121.828 120.400 -0.882 0.000 2.405 227 D HA 0.245 4.922 4.640 0.062 0.000 0.264 227 D C -0.945 174.999 176.300 -0.592 0.000 1.240 227 D CA -0.490 53.179 54.000 -0.551 0.000 0.893 227 D CB -0.440 40.208 40.800 -0.253 0.000 1.198 227 D HN -0.020 nan 8.370 nan 0.000 0.514 228 F N 2.101 121.837 119.950 -0.357 0.000 2.563 228 F HA 0.210 4.774 4.527 0.061 0.000 0.363 228 F C -0.751 174.896 175.800 -0.255 0.000 1.123 228 F CA -1.566 56.163 58.000 -0.452 0.000 1.307 228 F CB 0.257 38.994 39.000 -0.438 0.000 1.115 228 F HN 0.226 nan 8.300 nan 0.000 0.592 229 P HA -0.100 nan 4.420 nan 0.000 0.223 229 P C 0.841 178.195 177.300 0.089 0.000 1.151 229 P CA 1.308 64.400 63.100 -0.015 0.000 0.787 229 P CB -0.319 31.389 31.700 0.013 0.000 0.788 230 T N -3.833 110.828 114.554 0.179 0.000 3.278 230 T HA 0.593 4.981 4.350 0.062 0.000 0.251 230 T C 1.009 175.777 174.700 0.114 0.000 1.039 230 T CA 0.121 62.327 62.100 0.176 0.000 0.935 230 T CB -0.685 68.322 68.868 0.232 0.000 1.034 230 T HN 0.251 nan 8.240 nan 0.000 0.575 231 A N 1.132 124.007 122.820 0.092 0.000 5.481 231 A HA 0.186 4.543 4.320 0.062 0.000 0.318 231 A C 1.371 179.006 177.584 0.086 0.000 1.837 231 A CA 1.147 53.224 52.037 0.066 0.000 0.717 231 A CB -1.729 17.292 19.000 0.035 0.000 1.349 231 A HN 2.340 nan 8.150 nan 0.000 0.388 232 G N -3.362 105.464 108.800 0.044 0.000 2.545 232 G HA2 0.344 4.342 3.960 0.062 0.000 0.216 232 G HA3 0.344 4.342 3.960 0.062 0.000 0.216 232 G C -0.481 174.436 174.900 0.029 0.000 1.314 232 G CA 0.084 45.198 45.100 0.023 0.000 0.906 232 G HN 2.076 nan 8.290 nan 0.000 0.563 233 L N -0.662 120.569 121.223 0.013 0.000 2.422 233 L HA 0.740 5.118 4.340 0.062 0.000 0.264 233 L C -0.299 176.577 176.870 0.011 0.000 0.984 233 L CA -0.849 53.997 54.840 0.009 0.000 0.819 233 L CB 2.270 44.320 42.059 -0.015 0.000 1.330 233 L HN 0.559 nan 8.230 nan 0.000 0.410 234 I N 2.412 122.996 120.570 0.022 0.000 2.339 234 I HA 0.352 4.560 4.170 0.062 0.000 0.290 234 I C -0.511 175.596 176.117 -0.016 0.000 0.994 234 I CA -0.679 60.634 61.300 0.022 0.000 1.191 234 I CB 1.895 39.919 38.000 0.040 0.000 1.343 234 I HN 0.203 nan 8.210 nan 0.000 0.458 235 V N 6.013 125.906 119.914 -0.035 0.000 2.318 235 V HA 0.887 5.045 4.120 0.062 0.000 0.271 235 V C 0.542 176.613 176.094 -0.038 0.000 1.030 235 V CA -0.327 61.945 62.300 -0.048 0.000 0.844 235 V CB 0.085 31.859 31.823 -0.083 0.000 1.015 235 V HN 1.076 nan 8.190 nan 0.000 0.460 236 G N 4.217 112.998 108.800 -0.032 0.000 2.408 236 G HA2 0.132 4.129 3.960 0.062 0.000 0.682 236 G HA3 0.132 4.129 3.960 0.062 0.000 0.682 236 G C 0.057 174.937 174.900 -0.034 0.000 1.303 236 G CA -0.035 45.047 45.100 -0.030 0.000 0.966 236 G HN 1.140 nan 8.290 nan 0.000 0.560 237 S N -1.510 114.169 115.700 -0.035 0.000 2.653 237 S HA 0.157 4.664 4.470 0.062 0.000 0.259 237 S C 1.667 176.236 174.600 -0.052 0.000 1.076 237 S CA 1.102 59.275 58.200 -0.044 0.000 1.051 237 S CB 0.415 63.597 63.200 -0.030 0.000 0.994 237 S HN 0.969 nan 8.310 nan 0.000 0.552 238 Q N 2.469 122.246 119.800 -0.038 0.000 2.002 238 Q HA -0.023 4.354 4.340 0.062 0.000 0.204 238 Q C 2.154 178.126 176.000 -0.047 0.000 0.988 238 Q CA 2.360 58.142 55.803 -0.034 0.000 0.843 238 Q CB -1.173 27.552 28.738 -0.022 0.000 0.908 238 Q HN 0.578 nan 8.270 nan 0.000 0.420 239 G N -0.508 108.266 108.800 -0.043 0.000 2.553 239 G HA2 -0.345 3.652 3.960 0.062 0.000 0.218 239 G HA3 -0.345 3.652 3.960 0.062 0.000 0.218 239 G C 1.437 176.277 174.900 -0.101 0.000 1.195 239 G CA 1.523 46.598 45.100 -0.042 0.000 0.779 239 G HN 0.464 nan 8.290 nan 0.000 0.577 240 T N 1.764 116.220 114.554 -0.163 0.000 2.607 240 T HA -0.119 4.268 4.350 0.062 0.000 0.267 240 T C 2.809 177.246 174.700 -0.439 0.000 1.049 240 T CA 2.291 64.166 62.100 -0.375 0.000 1.162 240 T CB -0.701 67.953 68.868 -0.357 0.000 0.863 240 T HN 0.452 nan 8.240 nan 0.000 0.424 241 A N 1.990 124.680 122.820 -0.218 0.000 1.892 241 A HA -0.243 4.114 4.320 0.062 0.000 0.218 241 A C 2.123 179.680 177.584 -0.045 0.000 1.188 241 A CA 2.255 54.237 52.037 -0.091 0.000 0.631 241 A CB -0.962 18.016 19.000 -0.036 0.000 0.822 241 A HN 0.423 nan 8.150 nan 0.000 0.447 242 D N -0.171 120.199 120.400 -0.050 0.000 2.104 242 D HA -0.094 4.583 4.640 0.062 0.000 0.194 242 D C 2.258 178.565 176.300 0.010 0.000 0.994 242 D CA 1.725 55.718 54.000 -0.012 0.000 0.830 242 D CB -0.509 40.283 40.800 -0.013 0.000 0.959 242 D HN 0.450 nan 8.370 nan 0.000 0.452 243 A N 0.184 122.990 122.820 -0.023 0.000 1.877 243 A HA -0.201 4.156 4.320 0.062 0.000 0.216 243 A C 2.000 179.688 177.584 0.173 0.000 1.186 243 A CA 1.077 53.141 52.037 0.044 0.000 0.620 243 A CB -0.985 18.019 19.000 0.007 0.000 0.822 243 A HN 0.213 nan 8.150 nan 0.000 0.443 244 Y N 0.671 120.989 120.300 0.030 0.000 2.352 244 Y HA -0.111 4.476 4.550 0.062 0.000 0.292 244 Y C 2.293 178.191 175.900 -0.002 0.000 1.136 244 Y CA 1.301 59.404 58.100 0.006 0.000 1.227 244 Y CB -0.244 38.209 38.460 -0.011 0.000 0.991 244 Y HN 0.623 nan 8.280 nan 0.000 0.545 245 K N -1.425 119.069 120.400 0.156 0.000 2.367 245 K HA 0.124 4.481 4.320 0.062 0.000 0.195 245 K C 1.294 177.931 176.600 0.062 0.000 1.060 245 K CA 1.120 57.458 56.287 0.085 0.000 1.022 245 K CB -0.065 32.471 32.500 0.059 0.000 0.894 245 K HN 0.163 nan 8.250 nan 0.000 0.540 246 T N -2.887 111.705 114.554 0.064 0.000 3.043 246 T HA 0.270 4.657 4.350 0.062 0.000 0.272 246 T C 1.344 176.077 174.700 0.055 0.000 0.990 246 T CA 0.520 62.649 62.100 0.048 0.000 0.897 246 T CB 0.564 69.453 68.868 0.033 0.000 1.111 246 T HN 0.387 nan 8.240 nan 0.000 0.529 247 G N 1.540 110.387 108.800 0.079 0.000 2.189 247 G HA2 -0.241 3.757 3.960 0.062 0.000 0.267 247 G HA3 -0.241 3.757 3.960 0.062 0.000 0.267 247 G C 0.069 175.014 174.900 0.075 0.000 0.975 247 G CA 0.297 45.449 45.100 0.085 0.000 0.644 247 G HN 0.752 nan 8.290 nan 0.000 0.537 248 R N -0.744 119.792 120.500 0.061 0.000 2.651 248 R HA 0.633 5.011 4.340 0.062 0.000 0.278 248 R C -0.173 176.149 176.300 0.036 0.000 1.010 248 R CA -0.029 56.098 56.100 0.046 0.000 0.896 248 R CB 2.091 32.408 30.300 0.028 0.000 1.211 248 R HN 0.952 nan 8.270 nan 0.000 0.456 249 G N -0.033 108.788 108.800 0.035 0.000 2.442 249 G HA2 0.187 4.184 3.960 0.062 0.000 0.296 249 G HA3 0.187 4.184 3.960 0.062 0.000 0.296 249 G C -1.725 173.198 174.900 0.038 0.000 1.564 249 G CA -0.456 44.658 45.100 0.023 0.000 0.828 249 G HN 0.323 nan 8.290 nan 0.000 0.571 250 S N 0.513 116.229 115.700 0.026 0.000 2.448 250 S HA 0.634 5.141 4.470 0.062 0.000 0.320 250 S C 0.201 174.833 174.600 0.053 0.000 1.071 250 S CA -0.708 57.515 58.200 0.038 0.000 1.113 250 S CB -0.102 63.106 63.200 0.013 0.000 0.972 250 S HN 0.451 nan 8.310 nan 0.000 0.465 251 I N 5.031 125.671 120.570 0.118 0.000 2.336 251 I HA 0.396 4.603 4.170 0.062 0.000 0.292 251 I C 0.687 176.863 176.117 0.097 0.000 0.991 251 I CA -0.637 60.731 61.300 0.113 0.000 1.227 251 I CB 1.189 39.292 38.000 0.172 0.000 1.366 251 I HN 0.430 nan 8.210 nan 0.000 0.466 252 R N 7.151 127.673 120.500 0.036 0.000 2.210 252 R HA 0.457 4.835 4.340 0.062 0.000 0.338 252 R C -0.721 175.569 176.300 -0.016 0.000 1.062 252 R CA -0.336 55.763 56.100 -0.001 0.000 0.902 252 R CB 0.641 30.919 30.300 -0.036 0.000 1.050 252 R HN 0.607 nan 8.270 nan 0.000 0.461 253 M N 3.003 122.583 119.600 -0.033 0.000 2.367 253 M HA 0.424 4.942 4.480 0.062 0.000 0.339 253 M C -0.044 176.191 176.300 -0.108 0.000 1.177 253 M CA -0.316 54.938 55.300 -0.076 0.000 1.068 253 M CB 1.930 34.435 32.600 -0.159 0.000 1.602 253 M HN 0.344 nan 8.290 nan 0.000 0.457 254 R N 0.249 120.682 120.500 -0.111 0.000 2.604 254 R HA 0.555 4.933 4.340 0.062 0.000 0.281 254 R C -0.395 175.860 176.300 -0.074 0.000 1.020 254 R CA -0.447 55.571 56.100 -0.138 0.000 0.899 254 R CB 2.028 32.186 30.300 -0.236 0.000 1.205 254 R HN 0.929 nan 8.270 nan 0.000 0.450 255 G N 1.054 109.831 108.800 -0.037 0.000 2.683 255 G HA2 0.295 4.293 3.960 0.062 0.000 0.260 255 G HA3 0.295 4.293 3.960 0.062 0.000 0.260 255 G C -0.838 174.075 174.900 0.022 0.000 1.238 255 G CA -0.357 44.722 45.100 -0.035 0.000 0.934 255 G HN 0.323 nan 8.290 nan 0.000 0.534 256 V N 0.365 120.281 119.914 0.002 0.000 2.326 256 V HA 0.375 4.532 4.120 0.062 0.000 0.281 256 V C -0.193 175.915 176.094 0.023 0.000 1.015 256 V CA -0.635 61.680 62.300 0.024 0.000 0.823 256 V CB 1.170 32.997 31.823 0.007 0.000 1.009 256 V HN 0.547 nan 8.190 nan 0.000 0.436 257 V N 6.340 126.284 119.914 0.051 0.000 2.370 257 V HA 0.651 4.808 4.120 0.062 0.000 0.283 257 V C 0.039 176.147 176.094 0.022 0.000 1.023 257 V CA -0.225 62.093 62.300 0.030 0.000 0.857 257 V CB 1.799 33.635 31.823 0.023 0.000 0.985 257 V HN 1.048 nan 8.190 nan 0.000 0.443 258 E N 6.252 126.459 120.200 0.011 0.000 2.916 258 E HA 0.445 4.832 4.350 0.062 0.000 0.217 258 E C -0.262 176.340 176.600 0.003 0.000 1.100 258 E CA -0.700 55.705 56.400 0.009 0.000 0.891 258 E CB 1.422 31.127 29.700 0.008 0.000 1.311 258 E HN 0.809 nan 8.360 nan 0.000 0.421 259 V N 0.118 120.032 119.914 -0.000 0.000 2.953 259 V HA 0.119 4.276 4.120 0.062 0.000 0.304 259 V C 0.144 176.236 176.094 -0.003 0.000 1.138 259 V CA 0.225 62.523 62.300 -0.004 0.000 1.266 259 V CB 0.930 32.748 31.823 -0.010 0.000 0.923 259 V HN 0.841 nan 8.190 nan 0.000 0.505 260 E N 1.633 121.831 120.200 -0.004 0.000 2.446 260 E HA 0.748 5.136 4.350 0.062 0.000 0.269 260 E C -0.969 175.628 176.600 -0.005 0.000 0.977 260 E CA -0.883 55.514 56.400 -0.004 0.000 0.854 260 E CB 2.422 32.120 29.700 -0.002 0.000 1.545 260 E HN 0.960 nan 8.360 nan 0.000 0.448 261 E N -0.395 119.803 120.200 -0.004 0.000 2.429 261 E HA 0.171 4.558 4.350 0.062 0.000 0.280 261 E C -1.876 174.721 176.600 -0.004 0.000 1.068 261 E CA -0.726 55.671 56.400 -0.005 0.000 0.837 261 E CB 1.349 31.046 29.700 -0.005 0.000 1.357 261 E HN 0.587 nan 8.360 nan 0.000 0.455 262 D N -0.176 120.222 120.400 -0.005 0.000 2.368 262 D HA 0.228 4.906 4.640 0.062 0.000 0.240 262 D C 0.363 176.661 176.300 -0.004 0.000 1.169 262 D CA 0.454 54.452 54.000 -0.004 0.000 0.906 262 D CB 0.990 41.787 40.800 -0.005 0.000 1.187 262 D HN 0.529 nan 8.370 nan 0.000 0.435 263 S N -0.920 114.779 115.700 -0.003 0.000 2.765 263 S HA -0.271 4.236 4.470 0.062 0.000 0.266 263 S C 0.238 174.836 174.600 -0.003 0.000 1.302 263 S CA 1.028 59.227 58.200 -0.003 0.000 1.274 263 S CB -1.698 61.500 63.200 -0.003 0.000 1.559 263 S HN 0.895 nan 8.310 nan 0.000 0.658 270 V N 4.323 124.238 119.914 0.001 0.000 2.398 270 V HA 0.480 4.638 4.120 0.062 0.000 0.282 270 V C -0.091 176.006 176.094 0.005 0.000 1.014 270 V CA -0.568 61.734 62.300 0.004 0.000 0.838 270 V CB 1.768 33.591 31.823 -0.000 0.000 1.018 270 V HN 0.584 nan 8.190 nan 0.000 0.432 271 I N 4.044 124.622 120.570 0.013 0.000 2.322 271 I HA 0.403 4.611 4.170 0.062 0.000 0.292 271 I C 1.199 177.292 176.117 -0.040 0.000 1.060 271 I CA 0.833 62.130 61.300 -0.003 0.000 1.309 271 I CB 1.484 39.496 38.000 0.020 0.000 1.415 271 I HN 0.680 nan 8.210 nan 0.000 0.492 272 T N 1.929 116.458 114.554 -0.041 0.000 3.022 272 T HA 0.402 4.790 4.350 0.062 0.000 0.250 272 T C 0.412 175.073 174.700 -0.065 0.000 1.060 272 T CA 0.046 62.118 62.100 -0.046 0.000 1.013 272 T CB -0.249 68.606 68.868 -0.020 0.000 0.982 272 T HN 0.706 nan 8.240 nan 0.000 0.508 273 E N 0.098 120.248 120.200 -0.083 0.000 2.366 273 E HA 0.666 5.054 4.350 0.062 0.000 0.278 273 E C -1.637 174.875 176.600 -0.146 0.000 0.923 273 E CA -0.732 55.616 56.400 -0.087 0.000 0.761 273 E CB 2.566 32.244 29.700 -0.035 0.000 1.231 273 E HN 0.146 nan 8.360 nan 0.000 0.443 274 L N 2.108 123.233 121.223 -0.162 0.000 2.301 274 L HA 0.609 4.986 4.340 0.062 0.000 0.264 274 L C -2.371 174.423 176.870 -0.126 0.000 1.016 274 L CA -2.322 52.382 54.840 -0.226 0.000 0.821 274 L CB 1.893 43.744 42.059 -0.348 0.000 1.346 274 L HN 0.289 nan 8.230 nan 0.000 0.429 275 P HA -0.017 nan 4.420 nan 0.000 0.272 275 P C -1.034 176.202 177.300 -0.106 0.000 1.240 275 P CA -0.211 62.803 63.100 -0.144 0.000 0.791 275 P CB 0.235 31.851 31.700 -0.140 0.000 0.978 276 Y N 2.035 122.091 120.300 -0.406 0.000 2.811 276 Y HA -0.142 4.445 4.550 0.062 0.000 0.334 276 Y C 1.426 177.257 175.900 -0.116 0.000 1.247 276 Y CA 1.052 58.957 58.100 -0.325 0.000 1.526 276 Y CB -0.423 37.574 38.460 -0.772 0.000 1.284 276 Y HN 0.555 nan 8.280 nan 0.000 0.586 277 Q N 0.453 119.982 119.800 -0.452 0.000 2.362 277 Q HA -0.187 4.191 4.340 0.062 0.000 0.220 277 Q C -0.330 175.589 176.000 -0.135 0.000 0.713 277 Q CA 0.800 56.377 55.803 -0.376 0.000 1.345 277 Q CB -2.211 26.243 28.738 -0.475 0.000 1.570 277 Q HN 0.553 nan 8.270 nan 0.000 0.701 278 V N -0.408 119.463 119.914 -0.071 0.000 2.432 278 V HA 0.381 4.539 4.120 0.062 0.000 0.271 278 V C 0.450 176.574 176.094 0.050 0.000 1.046 278 V CA -0.691 61.599 62.300 -0.016 0.000 0.945 278 V CB 1.571 33.359 31.823 -0.059 0.000 0.992 278 V HN 0.209 nan 8.190 nan 0.000 0.471 279 N N 3.848 122.582 118.700 0.056 0.000 2.438 279 N HA 0.069 4.847 4.740 0.062 0.000 0.267 279 N C 1.092 176.712 175.510 0.183 0.000 1.222 279 N CA 0.394 53.481 53.050 0.062 0.000 0.930 279 N CB 0.159 38.672 38.487 0.042 0.000 1.083 279 N HN 0.896 nan 8.380 nan 0.000 0.476 280 H N 2.280 121.335 119.070 -0.025 0.000 2.289 280 H HA -0.165 4.428 4.556 0.063 0.000 0.296 280 H C 0.502 175.888 175.328 0.097 0.000 1.091 280 H CA 1.302 57.364 56.048 0.024 0.000 1.274 280 H CB 0.465 30.193 29.762 -0.056 0.000 1.364 280 H HN 0.593 nan 8.280 nan 0.000 0.490 281 D N 0.326 120.825 120.400 0.166 0.000 2.084 281 D HA -0.121 4.556 4.640 0.062 0.000 0.194 281 D C 1.944 178.298 176.300 0.090 0.000 0.990 281 D CA 0.829 54.887 54.000 0.096 0.000 0.826 281 D CB -0.464 40.361 40.800 0.041 0.000 0.971 281 D HN 0.302 nan 8.370 nan 0.000 0.453 282 N N 0.215 118.973 118.700 0.095 0.000 2.149 282 N HA -0.154 4.623 4.740 0.062 0.000 0.188 282 N C 1.575 177.150 175.510 0.109 0.000 1.019 282 N CA 0.371 53.470 53.050 0.081 0.000 0.857 282 N CB -0.545 37.988 38.487 0.077 0.000 0.997 282 N HN 0.191 nan 8.380 nan 0.000 0.426 283 F N 1.493 121.454 119.950 0.018 0.000 2.051 283 F HA -0.042 4.522 4.527 0.062 0.000 0.296 283 F C 2.089 177.889 175.800 -0.000 0.000 1.122 283 F CA 1.119 59.125 58.000 0.010 0.000 1.201 283 F CB -0.632 38.371 39.000 0.005 0.000 0.978 283 F HN -0.087 nan 8.300 nan 0.000 0.472 284 I N -0.154 120.344 120.570 -0.120 0.000 2.194 284 I HA -0.373 3.834 4.170 0.062 0.000 0.246 284 I C 2.359 178.358 176.117 -0.196 0.000 1.093 284 I CA 1.932 63.098 61.300 -0.224 0.000 1.355 284 I CB -0.822 37.159 38.000 -0.032 0.000 1.046 284 I HN 0.236 nan 8.210 nan 0.000 0.413 285 T N -0.095 114.399 114.554 -0.100 0.000 2.708 285 T HA -0.190 4.197 4.350 0.062 0.000 0.266 285 T C 2.104 176.742 174.700 -0.102 0.000 1.037 285 T CA 1.889 63.943 62.100 -0.076 0.000 1.146 285 T CB -0.274 68.576 68.868 -0.030 0.000 0.865 285 T HN 0.589 nan 8.240 nan 0.000 0.435 286 S N 0.974 116.602 115.700 -0.119 0.000 2.399 286 S HA -0.057 4.451 4.470 0.062 0.000 0.231 286 S C 2.059 176.566 174.600 -0.156 0.000 1.022 286 S CA 0.917 59.052 58.200 -0.108 0.000 0.983 286 S CB -0.723 62.435 63.200 -0.070 0.000 0.803 286 S HN 0.517 nan 8.310 nan 0.000 0.480 287 I N 1.941 122.351 120.570 -0.267 0.000 2.163 287 I HA -0.099 4.108 4.170 0.062 0.000 0.240 287 I C 3.105 179.127 176.117 -0.158 0.000 1.081 287 I CA 1.153 62.301 61.300 -0.254 0.000 1.353 287 I CB -0.661 37.110 38.000 -0.381 0.000 1.054 287 I HN 0.449 nan 8.210 nan 0.000 0.407 288 A N 1.088 123.824 122.820 -0.141 0.000 1.877 288 A HA -0.245 4.113 4.320 0.062 0.000 0.216 288 A C 2.241 179.778 177.584 -0.078 0.000 1.186 288 A CA 1.891 53.871 52.037 -0.096 0.000 0.620 288 A CB -0.824 18.128 19.000 -0.080 0.000 0.822 288 A HN 0.623 nan 8.150 nan 0.000 0.443 289 E N -0.568 119.587 120.200 -0.074 0.000 2.204 289 E HA -0.269 4.119 4.350 0.062 0.000 0.195 289 E C 1.941 178.505 176.600 -0.060 0.000 0.990 289 E CA 1.423 57.789 56.400 -0.057 0.000 0.821 289 E CB -0.310 29.362 29.700 -0.047 0.000 0.750 289 E HN 0.769 nan 8.360 nan 0.000 0.477 290 Q N 0.421 120.177 119.800 -0.074 0.000 2.165 290 Q HA -0.022 4.356 4.340 0.062 0.000 0.197 290 Q C 2.382 178.328 176.000 -0.090 0.000 0.952 290 Q CA 0.799 56.553 55.803 -0.082 0.000 0.848 290 Q CB 0.329 29.015 28.738 -0.086 0.000 0.931 290 Q HN 0.190 nan 8.270 nan 0.000 0.470 291 V N 2.005 121.866 119.914 -0.089 0.000 2.233 291 V HA -0.351 3.807 4.120 0.062 0.000 0.247 291 V C 2.399 178.452 176.094 -0.067 0.000 1.050 291 V CA 2.465 64.717 62.300 -0.081 0.000 1.010 291 V CB -0.649 31.128 31.823 -0.076 0.000 0.637 291 V HN 0.476 nan 8.190 nan 0.000 0.444 292 R N 0.624 121.088 120.500 -0.060 0.000 2.200 292 R HA -0.203 4.174 4.340 0.062 0.000 0.234 292 R C 1.574 177.846 176.300 -0.047 0.000 1.127 292 R CA 2.124 58.195 56.100 -0.049 0.000 0.989 292 R CB -0.608 29.666 30.300 -0.043 0.000 0.869 292 R HN 0.507 nan 8.270 nan 0.000 0.459 293 D N -0.278 120.090 120.400 -0.055 0.000 2.340 293 D HA 0.066 4.743 4.640 0.062 0.000 0.220 293 D C 1.130 177.394 176.300 -0.059 0.000 1.039 293 D CA 0.851 54.819 54.000 -0.052 0.000 0.866 293 D CB 0.219 40.987 40.800 -0.054 0.000 0.913 293 D HN 0.465 nan 8.370 nan 0.000 0.523 294 G N 1.187 109.949 108.800 -0.063 0.000 2.212 294 G HA2 -0.419 3.579 3.960 0.062 0.000 0.266 294 G HA3 -0.419 3.579 3.960 0.062 0.000 0.266 294 G C 1.377 176.224 174.900 -0.088 0.000 0.978 294 G CA 0.646 45.707 45.100 -0.064 0.000 0.632 294 G HN 0.441 nan 8.290 nan 0.000 0.537 295 K N -0.977 119.355 120.400 -0.114 0.000 2.209 295 K HA 0.078 4.435 4.320 0.062 0.000 0.204 295 K C 0.709 177.170 176.600 -0.232 0.000 1.048 295 K CA 0.953 57.131 56.287 -0.183 0.000 0.940 295 K CB -0.076 32.300 32.500 -0.207 0.000 0.729 295 K HN 0.328 nan 8.250 nan 0.000 0.451 296 L N 0.522 121.649 121.223 -0.160 0.000 2.732 296 L HA 0.312 4.689 4.340 0.062 0.000 0.246 296 L C -0.626 176.196 176.870 -0.080 0.000 1.407 296 L CA -0.289 54.475 54.840 -0.127 0.000 0.861 296 L CB 0.331 42.323 42.059 -0.111 0.000 1.161 296 L HN -0.065 nan 8.230 nan 0.000 0.510 297 A N 0.111 122.889 122.820 -0.069 0.000 2.386 297 A HA 0.581 4.938 4.320 0.062 0.000 0.246 297 A C 1.370 178.930 177.584 -0.040 0.000 1.089 297 A CA 0.558 52.565 52.037 -0.049 0.000 0.790 297 A CB 0.004 18.979 19.000 -0.042 0.000 1.042 297 A HN 1.369 nan 8.150 nan 0.000 0.497 298 G N -1.018 107.761 108.800 -0.034 0.000 2.159 298 G HA2 -0.166 3.831 3.960 0.062 0.000 0.227 298 G HA3 -0.166 3.831 3.960 0.062 0.000 0.227 298 G C -0.088 174.793 174.900 -0.031 0.000 0.986 298 G CA 0.216 45.299 45.100 -0.029 0.000 0.651 298 G HN 0.900 nan 8.290 nan 0.000 0.523 299 I N 1.995 122.543 120.570 -0.037 0.000 2.355 299 I HA 0.369 4.576 4.170 0.062 0.000 0.288 299 I C 1.603 177.699 176.117 -0.036 0.000 0.999 299 I CA -0.183 61.094 61.300 -0.038 0.000 1.163 299 I CB 1.714 39.684 38.000 -0.048 0.000 1.316 299 I HN 0.152 nan 8.210 nan 0.000 0.454 300 S N 4.343 120.025 115.700 -0.030 0.000 2.345 300 S HA 0.034 4.542 4.470 0.062 0.000 0.219 300 S C 0.680 175.263 174.600 -0.029 0.000 1.031 300 S CA 0.654 58.838 58.200 -0.027 0.000 0.984 300 S CB -0.092 63.094 63.200 -0.022 0.000 0.874 300 S HN 0.720 nan 8.310 nan 0.000 0.451 301 N N -0.994 117.688 118.700 -0.030 0.000 2.745 301 N HA 0.464 5.242 4.740 0.062 0.000 0.256 301 N C -1.996 173.494 175.510 -0.033 0.000 1.268 301 N CA -0.619 52.412 53.050 -0.031 0.000 0.887 301 N CB 1.209 39.681 38.487 -0.025 0.000 1.575 301 N HN 0.281 nan 8.380 nan 0.000 0.496 302 I N 0.795 121.343 120.570 -0.038 0.000 2.577 302 I HA 0.540 4.747 4.170 0.062 0.000 0.305 302 I C -0.362 175.739 176.117 -0.027 0.000 0.986 302 I CA -0.599 60.677 61.300 -0.039 0.000 1.189 302 I CB 1.654 39.618 38.000 -0.059 0.000 1.355 302 I HN 0.301 nan 8.210 nan 0.000 0.476 303 E N 3.067 123.257 120.200 -0.018 0.000 2.406 303 E HA 0.182 4.569 4.350 0.062 0.000 0.297 303 E C -1.761 174.837 176.600 -0.004 0.000 0.917 303 E CA -0.660 55.733 56.400 -0.011 0.000 0.795 303 E CB 1.966 31.659 29.700 -0.010 0.000 1.285 303 E HN 0.432 nan 8.360 nan 0.000 0.400 304 D N 2.104 122.504 120.400 -0.001 0.000 2.316 304 D HA 0.173 4.851 4.640 0.062 0.000 0.245 304 D C -0.098 176.203 176.300 0.001 0.000 1.171 304 D CA 0.051 54.053 54.000 0.004 0.000 0.856 304 D CB 0.818 41.624 40.800 0.010 0.000 1.090 304 D HN 0.315 nan 8.370 nan 0.000 0.476 305 Q N 1.392 121.192 119.800 0.000 0.000 2.135 305 Q HA 0.157 4.535 4.340 0.062 0.000 0.222 305 Q C -0.140 175.859 176.000 -0.000 0.000 0.808 305 Q CA -0.374 55.428 55.803 -0.001 0.000 1.049 305 Q CB 0.703 29.439 28.738 -0.002 0.000 1.168 305 Q HN 0.386 nan 8.270 nan 0.000 0.483 306 S N 0.248 115.948 115.700 0.000 0.000 2.593 306 S HA 0.537 5.045 4.470 0.062 0.000 0.269 306 S C 0.093 174.696 174.600 0.004 0.000 1.334 306 S CA -0.423 57.778 58.200 0.002 0.000 1.015 306 S CB 1.440 64.642 63.200 0.004 0.000 0.912 306 S HN 0.284 nan 8.310 nan 0.000 0.541 307 S N -0.068 115.635 115.700 0.006 0.000 2.586 307 S HA 0.319 4.827 4.470 0.062 0.000 0.277 307 S C -2.232 172.375 174.600 0.011 0.000 1.131 307 S CA -1.085 57.119 58.200 0.007 0.000 0.848 307 S CB 0.486 63.690 63.200 0.006 0.000 1.091 307 S HN 0.512 nan 8.310 nan 0.000 0.453 308 D N 2.107 122.515 120.400 0.014 0.000 2.455 308 D HA 0.474 5.151 4.640 0.062 0.000 0.241 308 D C 0.923 177.234 176.300 0.018 0.000 1.138 308 D CA 0.552 54.564 54.000 0.020 0.000 0.877 308 D CB 0.104 40.919 40.800 0.025 0.000 1.187 308 D HN 0.694 nan 8.370 nan 0.000 0.451 309 R N 0.051 120.563 120.500 0.020 0.000 3.296 309 R HA -0.165 4.213 4.340 0.062 0.000 0.488 309 R C 0.515 176.824 176.300 0.014 0.000 0.695 309 R CA 0.544 56.654 56.100 0.017 0.000 1.396 309 R CB -1.866 28.443 30.300 0.015 0.000 2.084 309 R HN 0.394 nan 8.270 nan 0.000 0.427 310 V N -0.890 119.032 119.914 0.013 0.000 3.159 310 V HA 0.527 4.685 4.120 0.062 0.000 0.234 310 V C 0.871 176.971 176.094 0.010 0.000 1.313 310 V CA 2.113 64.419 62.300 0.010 0.000 1.271 310 V CB 1.093 32.920 31.823 0.007 0.000 1.053 310 V HN 0.815 nan 8.190 nan 0.000 0.476 311 G N 0.751 109.559 108.800 0.014 0.000 2.582 311 G HA2 -0.097 3.901 3.960 0.062 0.000 0.222 311 G HA3 -0.097 3.901 3.960 0.062 0.000 0.222 311 G C -0.800 174.104 174.900 0.006 0.000 1.311 311 G CA -0.199 44.911 45.100 0.017 0.000 0.915 311 G HN 1.042 nan 8.290 nan 0.000 0.528 312 L N 0.758 121.980 121.223 -0.001 0.000 2.499 312 L HA 0.623 5.001 4.340 0.062 0.000 0.273 312 L C 0.845 177.688 176.870 -0.046 0.000 1.195 312 L CA 0.701 55.514 54.840 -0.045 0.000 0.882 312 L CB 0.085 42.071 42.059 -0.123 0.000 1.133 312 L HN 0.637 nan 8.230 nan 0.000 0.483 313 R N 6.834 127.309 120.500 -0.042 0.000 3.039 313 R HA 0.361 4.738 4.340 0.062 0.000 0.264 313 R C -1.562 174.729 176.300 -0.015 0.000 1.708 313 R CA -0.580 55.505 56.100 -0.024 0.000 1.134 313 R CB 0.859 31.152 30.300 -0.011 0.000 1.386 313 R HN 0.488 nan 8.270 nan 0.000 0.477 314 I N 3.765 124.331 120.570 -0.007 0.000 2.328 314 I HA 0.256 4.463 4.170 0.062 0.000 0.287 314 I C 0.451 176.581 176.117 0.022 0.000 1.012 314 I CA -0.807 60.506 61.300 0.023 0.000 1.195 314 I CB 1.727 39.776 38.000 0.082 0.000 1.350 314 I HN 0.125 nan 8.210 nan 0.000 0.464 315 V N 8.010 127.930 119.914 0.009 0.000 2.406 315 V HA 0.400 4.557 4.120 0.062 0.000 0.272 315 V C 0.346 176.438 176.094 -0.003 0.000 1.043 315 V CA -0.336 61.965 62.300 0.002 0.000 0.915 315 V CB 1.293 33.114 31.823 -0.003 0.000 0.988 315 V HN 0.417 nan 8.190 nan 0.000 0.466 316 I N 4.550 125.117 120.570 -0.005 0.000 2.436 316 I HA 0.507 4.714 4.170 0.062 0.000 0.289 316 I C -0.100 176.005 176.117 -0.019 0.000 1.010 316 I CA -0.484 60.806 61.300 -0.016 0.000 1.098 316 I CB 1.973 39.963 38.000 -0.018 0.000 1.266 316 I HN 0.568 nan 8.210 nan 0.000 0.434 317 E N 6.304 126.490 120.200 -0.023 0.000 2.183 317 E HA 0.549 4.937 4.350 0.062 0.000 0.271 317 E C -0.722 175.863 176.600 -0.025 0.000 0.919 317 E CA -0.809 55.578 56.400 -0.021 0.000 0.781 317 E CB 2.798 32.487 29.700 -0.018 0.000 1.140 317 E HN 0.516 nan 8.360 nan 0.000 0.402 318 I N -0.989 119.568 120.570 -0.023 0.000 2.664 318 I HA 0.390 4.598 4.170 0.062 0.000 0.308 318 I C -0.055 176.049 176.117 -0.020 0.000 0.984 318 I CA -1.172 60.114 61.300 -0.024 0.000 1.213 318 I CB 0.901 38.887 38.000 -0.023 0.000 1.379 318 I HN 0.356 nan 8.210 nan 0.000 0.501 319 K N 3.206 123.593 120.400 -0.021 0.000 2.219 319 K HA 0.295 4.653 4.320 0.062 0.000 0.258 319 K C 0.543 177.133 176.600 -0.015 0.000 1.008 319 K CA -0.543 55.733 56.287 -0.018 0.000 0.928 319 K CB 0.957 33.445 32.500 -0.019 0.000 0.983 319 K HN 0.550 nan 8.250 nan 0.000 0.484 320 R N 0.885 121.377 120.500 -0.013 0.000 2.112 320 R HA -0.210 4.167 4.340 0.062 0.000 0.242 320 R C 1.427 177.720 176.300 -0.011 0.000 1.137 320 R CA 2.271 58.364 56.100 -0.011 0.000 0.944 320 R CB -0.524 29.770 30.300 -0.010 0.000 0.857 320 R HN 0.778 nan 8.270 nan 0.000 0.435 321 D N 0.321 120.714 120.400 -0.011 0.000 2.154 321 D HA -0.168 4.509 4.640 0.062 0.000 0.190 321 D C 0.361 176.655 176.300 -0.010 0.000 1.003 321 D CA 1.705 55.699 54.000 -0.010 0.000 0.849 321 D CB -0.183 40.611 40.800 -0.011 0.000 0.942 321 D HN 0.307 nan 8.370 nan 0.000 0.446 322 A N 0.239 123.051 122.820 -0.012 0.000 2.273 322 A HA 0.447 4.804 4.320 0.062 0.000 0.320 322 A C 0.197 177.773 177.584 -0.014 0.000 1.358 322 A CA -0.476 51.554 52.037 -0.013 0.000 0.910 322 A CB 1.276 20.267 19.000 -0.014 0.000 1.159 322 A HN -0.005 nan 8.150 nan 0.000 0.526 323 V N 2.489 122.396 119.914 -0.012 0.000 3.043 323 V HA 0.295 4.452 4.120 0.062 0.000 0.357 323 V C 1.007 177.093 176.094 -0.013 0.000 1.372 323 V CA 0.543 62.835 62.300 -0.013 0.000 1.214 323 V CB -0.402 31.415 31.823 -0.010 0.000 1.224 323 V HN 0.937 nan 8.190 nan 0.000 0.507 324 A N 0.092 122.903 122.820 -0.014 0.000 2.304 324 A HA 0.526 4.884 4.320 0.062 0.000 0.301 324 A C 0.958 178.528 177.584 -0.023 0.000 1.132 324 A CA -0.410 51.618 52.037 -0.014 0.000 0.819 324 A CB 0.610 19.604 19.000 -0.011 0.000 1.094 324 A HN 0.407 nan 8.150 nan 0.000 0.492 325 K N 1.535 121.921 120.400 -0.023 0.000 2.525 325 K HA -0.005 4.352 4.320 0.062 0.000 0.192 325 K C 1.336 177.905 176.600 -0.052 0.000 1.029 325 K CA 0.532 56.795 56.287 -0.040 0.000 1.029 325 K CB -0.006 32.478 32.500 -0.027 0.000 0.814 325 K HN 0.514 nan 8.250 nan 0.000 0.503 326 V N 0.377 120.273 119.914 -0.031 0.000 2.867 326 V HA -0.172 3.985 4.120 0.062 0.000 0.260 326 V C 1.599 177.671 176.094 -0.036 0.000 1.099 326 V CA 1.380 63.666 62.300 -0.023 0.000 1.122 326 V CB -0.080 31.739 31.823 -0.006 0.000 0.708 326 V HN 0.104 nan 8.190 nan 0.000 0.490 327 V N -0.394 119.490 119.914 -0.050 0.000 2.591 327 V HA -0.107 4.050 4.120 0.062 0.000 0.249 327 V C 2.221 178.248 176.094 -0.111 0.000 1.053 327 V CA 1.988 64.255 62.300 -0.055 0.000 1.068 327 V CB -0.132 31.662 31.823 -0.048 0.000 0.689 327 V HN 0.525 nan 8.190 nan 0.000 0.462 328 I N 0.670 121.138 120.570 -0.170 0.000 2.179 328 I HA -0.236 3.971 4.170 0.062 0.000 0.242 328 I C 2.081 177.863 176.117 -0.558 0.000 1.088 328 I CA 1.842 62.926 61.300 -0.360 0.000 1.357 328 I CB -0.405 37.402 38.000 -0.322 0.000 1.051 328 I HN 0.355 nan 8.210 nan 0.000 0.409 329 N N 0.344 118.872 118.700 -0.286 0.000 2.244 329 N HA -0.145 4.632 4.740 0.062 0.000 0.183 329 N C 1.499 176.980 175.510 -0.048 0.000 1.016 329 N CA 0.935 53.915 53.050 -0.117 0.000 0.866 329 N CB -0.196 38.299 38.487 0.014 0.000 0.980 329 N HN 0.301 nan 8.380 nan 0.000 0.430 330 N N 0.332 119.014 118.700 -0.030 0.000 2.331 330 N HA -0.014 4.763 4.740 0.062 0.000 0.180 330 N C 1.519 177.094 175.510 0.107 0.000 1.019 330 N CA 0.505 53.607 53.050 0.085 0.000 0.881 330 N CB -0.082 38.482 38.487 0.129 0.000 0.972 330 N HN 0.287 nan 8.380 nan 0.000 0.435 331 L N -0.193 121.023 121.223 -0.011 0.000 2.005 331 L HA -0.154 4.223 4.340 0.062 0.000 0.207 331 L C 2.023 178.956 176.870 0.104 0.000 1.072 331 L CA 1.026 55.881 54.840 0.024 0.000 0.744 331 L CB -0.586 41.438 42.059 -0.060 0.000 0.895 331 L HN 0.079 nan 8.230 nan 0.000 0.433 332 Y N 0.829 121.149 120.300 0.033 0.000 2.193 332 Y HA -0.302 4.286 4.550 0.063 0.000 0.285 332 Y C 2.521 178.391 175.900 -0.050 0.000 1.166 332 Y CA 1.113 59.215 58.100 0.003 0.000 1.181 332 Y CB -0.826 37.627 38.460 -0.012 0.000 0.976 332 Y HN 0.179 nan 8.280 nan 0.000 0.520 333 K N -0.978 119.435 120.400 0.021 0.000 1.991 333 K HA -0.111 4.247 4.320 0.062 0.000 0.207 333 K C 1.498 177.903 176.600 -0.325 0.000 1.045 333 K CA 1.788 57.927 56.287 -0.246 0.000 0.937 333 K CB -0.345 31.838 32.500 -0.529 0.000 0.720 333 K HN 0.430 nan 8.250 nan 0.000 0.438 334 H N -0.349 118.757 119.070 0.060 0.000 2.551 334 H HA 0.101 4.694 4.556 0.062 0.000 0.271 334 H C 0.428 175.785 175.328 0.048 0.000 0.984 334 H CA 0.446 56.517 56.048 0.038 0.000 1.164 334 H CB 0.358 30.125 29.762 0.009 0.000 1.437 334 H HN 0.193 nan 8.280 nan 0.000 0.550 335 T N -2.980 111.671 114.554 0.162 0.000 2.807 335 T HA 0.212 4.599 4.350 0.062 0.000 0.277 335 T C 0.698 175.532 174.700 0.224 0.000 1.006 335 T CA -0.937 61.282 62.100 0.199 0.000 1.006 335 T CB 1.748 70.762 68.868 0.244 0.000 1.274 335 T HN 0.087 nan 8.240 nan 0.000 0.569 336 Q N -0.148 119.835 119.800 0.305 0.000 2.280 336 Q HA 0.243 4.620 4.340 0.062 0.000 0.202 336 Q C 1.445 177.507 176.000 0.104 0.000 0.903 336 Q CA -0.242 55.665 55.803 0.174 0.000 0.948 336 Q CB -0.136 28.687 28.738 0.142 0.000 1.058 336 Q HN 0.540 nan 8.270 nan 0.000 0.493 337 L N 0.564 121.922 121.223 0.225 0.000 2.261 337 L HA -0.129 4.248 4.340 0.062 0.000 0.216 337 L C 0.336 177.285 176.870 0.132 0.000 1.114 337 L CA 1.812 56.740 54.840 0.146 0.000 0.777 337 L CB 0.114 42.372 42.059 0.333 0.000 0.910 337 L HN 0.129 nan 8.230 nan 0.000 0.440 338 Q N -0.671 119.202 119.800 0.121 0.000 2.275 338 Q HA 0.370 4.747 4.340 0.062 0.000 0.266 338 Q C -1.266 174.732 176.000 -0.003 0.000 1.002 338 Q CA -0.227 55.566 55.803 -0.016 0.000 0.761 338 Q CB 1.592 30.262 28.738 -0.114 0.000 1.255 338 Q HN 0.116 nan 8.270 nan 0.000 0.446 339 T N 0.947 115.483 114.554 -0.029 0.000 2.843 339 T HA 0.484 4.872 4.350 0.062 0.000 0.302 339 T C -1.453 173.243 174.700 -0.008 0.000 1.232 339 T CA -0.354 61.739 62.100 -0.011 0.000 1.009 339 T CB 1.943 70.811 68.868 -0.000 0.000 1.254 339 T HN 0.484 nan 8.240 nan 0.000 0.504 340 S N 1.302 117.008 115.700 0.010 0.000 2.509 340 S HA 0.693 5.200 4.470 0.062 0.000 0.297 340 S C -1.111 173.540 174.600 0.085 0.000 1.118 340 S CA -0.607 57.617 58.200 0.040 0.000 1.074 340 S CB 0.555 63.766 63.200 0.018 0.000 1.038 340 S HN 0.531 nan 8.310 nan 0.000 0.498 341 F N 3.769 123.715 119.950 -0.007 0.000 2.361 341 F HA 0.579 5.143 4.527 0.062 0.000 0.364 341 F C 0.793 176.619 175.800 0.043 0.000 1.120 341 F CA -0.548 57.472 58.000 0.032 0.000 1.102 341 F CB 0.615 39.671 39.000 0.093 0.000 1.183 341 F HN 0.736 nan 8.300 nan 0.000 0.476 342 G N 6.104 114.700 108.800 -0.340 0.000 2.865 342 G HA2 0.427 4.424 3.960 0.062 0.000 0.292 342 G HA3 0.427 4.424 3.960 0.062 0.000 0.292 342 G C 0.008 174.759 174.900 -0.248 0.000 0.800 342 G CA -0.218 44.754 45.100 -0.213 0.000 1.838 342 G HN 0.965 nan 8.290 nan 0.000 0.535 343 A N 2.358 125.182 122.820 0.007 0.000 2.540 343 A HA 0.427 4.785 4.320 0.062 0.000 0.239 343 A C 0.533 178.157 177.584 0.066 0.000 1.061 343 A CA -0.073 52.054 52.037 0.150 0.000 0.758 343 A CB 0.282 19.453 19.000 0.286 0.000 0.991 343 A HN 0.648 nan 8.150 nan 0.000 0.502 344 N N 1.857 120.606 118.700 0.081 0.000 2.701 344 N HA 0.186 4.963 4.740 0.062 0.000 0.258 344 N C -0.719 174.837 175.510 0.077 0.000 1.262 344 N CA -0.349 52.733 53.050 0.054 0.000 0.780 344 N CB 0.473 38.966 38.487 0.009 0.000 1.380 344 N HN 0.459 nan 8.380 nan 0.000 0.548 345 M N 2.906 122.562 119.600 0.094 0.000 3.593 345 M HA 0.183 4.700 4.480 0.062 0.000 0.204 345 M C -0.405 175.926 176.300 0.051 0.000 1.569 345 M CA -0.310 55.044 55.300 0.090 0.000 1.694 345 M CB -1.483 31.181 32.600 0.106 0.000 1.149 345 M HN 0.361 nan 8.290 nan 0.000 0.552 346 L N 2.178 123.423 121.223 0.037 0.000 2.280 346 L HA 0.844 5.221 4.340 0.062 0.000 0.287 346 L C -0.616 176.252 176.870 -0.002 0.000 1.023 346 L CA -0.080 54.767 54.840 0.013 0.000 0.819 346 L CB 1.069 43.134 42.059 0.009 0.000 1.212 346 L HN 0.571 nan 8.230 nan 0.000 0.420 347 A N 5.099 127.903 122.820 -0.027 0.000 2.532 347 A HA 0.765 5.123 4.320 0.062 0.000 0.290 347 A C -1.204 176.330 177.584 -0.083 0.000 1.143 347 A CA -0.705 51.301 52.037 -0.052 0.000 0.728 347 A CB 1.157 20.119 19.000 -0.062 0.000 1.317 347 A HN 0.488 nan 8.150 nan 0.000 0.414 348 I N 1.815 122.327 120.570 -0.097 0.000 2.312 348 I HA 0.337 4.545 4.170 0.062 0.000 0.291 348 I C -0.588 175.426 176.117 -0.172 0.000 1.031 348 I CA -0.103 61.130 61.300 -0.112 0.000 1.293 348 I CB 0.528 38.475 38.000 -0.090 0.000 1.403 348 I HN 0.244 nan 8.210 nan 0.000 0.484 349 V N 5.649 125.445 119.914 -0.196 0.000 2.407 349 V HA 0.298 4.455 4.120 0.062 0.000 0.291 349 V C 0.213 176.204 176.094 -0.172 0.000 1.018 349 V CA -0.782 61.348 62.300 -0.284 0.000 0.842 349 V CB 1.281 32.825 31.823 -0.465 0.000 0.996 349 V HN 0.756 nan 8.190 nan 0.000 0.426 350 D N 4.348 124.664 120.400 -0.141 0.000 2.689 350 D HA -0.212 4.466 4.640 0.062 0.000 0.237 350 D C 1.368 177.630 176.300 -0.064 0.000 1.148 350 D CA 1.397 55.349 54.000 -0.080 0.000 0.656 350 D CB -0.679 40.092 40.800 -0.049 0.000 1.050 350 D HN 1.427 nan 8.370 nan 0.000 0.426 351 G N -1.194 107.563 108.800 -0.072 0.000 2.189 351 G HA2 -0.299 3.698 3.960 0.062 0.000 0.267 351 G HA3 -0.299 3.698 3.960 0.062 0.000 0.267 351 G C 0.423 175.291 174.900 -0.054 0.000 0.975 351 G CA 0.868 45.935 45.100 -0.055 0.000 0.644 351 G HN 1.178 nan 8.290 nan 0.000 0.537 352 V N -0.667 119.208 119.914 -0.064 0.000 2.448 352 V HA 0.824 4.982 4.120 0.062 0.000 0.295 352 V C -2.272 173.783 176.094 -0.065 0.000 1.025 352 V CA -2.303 59.962 62.300 -0.058 0.000 0.859 352 V CB 2.283 34.078 31.823 -0.048 0.000 0.988 352 V HN 0.078 nan 8.190 nan 0.000 0.431 353 P HA 0.350 nan 4.420 nan 0.000 0.268 353 P C -0.890 176.384 177.300 -0.043 0.000 1.205 353 P CA 0.101 63.172 63.100 -0.048 0.000 0.771 353 P CB 0.435 32.114 31.700 -0.035 0.000 0.858 354 R N 0.656 121.130 120.500 -0.044 0.000 2.604 354 R HA 0.410 4.787 4.340 0.062 0.000 0.270 354 R C -0.705 175.589 176.300 -0.009 0.000 1.052 354 R CA -0.639 55.445 56.100 -0.026 0.000 0.902 354 R CB 1.806 32.084 30.300 -0.037 0.000 1.233 354 R HN 0.298 nan 8.270 nan 0.000 0.455 355 T N 3.799 118.359 114.554 0.010 0.000 2.771 355 T HA 0.484 4.872 4.350 0.062 0.000 0.291 355 T C -0.078 174.647 174.700 0.042 0.000 0.954 355 T CA -0.381 61.734 62.100 0.025 0.000 1.045 355 T CB 0.431 69.314 68.868 0.025 0.000 0.917 355 T HN 0.201 nan 8.240 nan 0.000 0.484 356 L N 2.530 123.785 121.223 0.053 0.000 2.279 356 L HA 0.670 5.048 4.340 0.062 0.000 0.262 356 L C 0.440 177.353 176.870 0.072 0.000 1.019 356 L CA -1.400 53.484 54.840 0.074 0.000 0.823 356 L CB 1.597 43.714 42.059 0.097 0.000 1.358 356 L HN 0.364 nan 8.230 nan 0.000 0.432 357 R N 0.039 120.579 120.500 0.066 0.000 2.643 357 R HA 0.288 4.665 4.340 0.062 0.000 0.272 357 R C 0.706 177.013 176.300 0.012 0.000 0.995 357 R CA -0.907 55.224 56.100 0.052 0.000 1.032 357 R CB 1.178 31.501 30.300 0.038 0.000 1.126 357 R HN 0.413 nan 8.270 nan 0.000 0.505 358 L N 2.508 123.708 121.223 -0.038 0.000 2.051 358 L HA -0.269 4.108 4.340 0.062 0.000 0.214 358 L C 1.792 178.581 176.870 -0.134 0.000 1.076 358 L CA 2.151 56.884 54.840 -0.178 0.000 0.758 358 L CB -0.670 41.139 42.059 -0.417 0.000 0.890 358 L HN 0.824 nan 8.230 nan 0.000 0.433 359 D N -1.654 118.692 120.400 -0.090 0.000 2.144 359 D HA -0.257 4.421 4.640 0.062 0.000 0.200 359 D C 1.712 177.993 176.300 -0.032 0.000 0.978 359 D CA 1.466 55.428 54.000 -0.062 0.000 0.833 359 D CB -0.456 40.315 40.800 -0.048 0.000 0.961 359 D HN 0.618 nan 8.370 nan 0.000 0.470 360 Q N 0.397 120.194 119.800 -0.005 0.000 2.079 360 Q HA -0.008 4.369 4.340 0.062 0.000 0.200 360 Q C 2.839 178.925 176.000 0.143 0.000 0.974 360 Q CA 0.665 56.482 55.803 0.022 0.000 0.840 360 Q CB -0.129 28.684 28.738 0.125 0.000 0.898 360 Q HN 0.340 nan 8.270 nan 0.000 0.430 361 L N 0.705 121.999 121.223 0.118 0.000 2.042 361 L HA -0.211 4.166 4.340 0.062 0.000 0.210 361 L C 2.418 179.349 176.870 0.100 0.000 1.076 361 L CA 0.871 55.779 54.840 0.113 0.000 0.749 361 L CB -0.497 41.556 42.059 -0.009 0.000 0.893 361 L HN 0.277 nan 8.230 nan 0.000 0.432 362 I N -0.400 120.185 120.570 0.025 0.000 2.252 362 I HA -0.222 3.986 4.170 0.062 0.000 0.245 362 I C 2.715 178.893 176.117 0.103 0.000 1.102 362 I CA 1.394 62.722 61.300 0.046 0.000 1.385 362 I CB -0.917 37.076 38.000 -0.012 0.000 1.064 362 I HN 0.352 nan 8.210 nan 0.000 0.414 363 R N 0.013 120.530 120.500 0.029 0.000 2.092 363 R HA -0.155 4.223 4.340 0.062 0.000 0.231 363 R C 2.304 178.585 176.300 -0.031 0.000 1.119 363 R CA 1.172 57.252 56.100 -0.033 0.000 0.970 363 R CB -0.623 29.597 30.300 -0.133 0.000 0.864 363 R HN 0.314 nan 8.270 nan 0.000 0.440 364 Y N -0.264 120.067 120.300 0.051 0.000 2.274 364 Y HA -0.238 4.352 4.550 0.067 0.000 0.290 364 Y C 2.246 178.187 175.900 0.069 0.000 1.145 364 Y CA 1.085 59.210 58.100 0.042 0.000 1.203 364 Y CB -0.535 37.940 38.460 0.025 0.000 0.984 364 Y HN 0.111 nan 8.280 nan 0.000 0.533 365 Y N -0.425 119.957 120.300 0.137 0.000 2.184 365 Y HA -0.151 4.436 4.550 0.061 0.000 0.290 365 Y C 2.276 178.226 175.900 0.083 0.000 1.129 365 Y CA 1.201 59.353 58.100 0.087 0.000 1.144 365 Y CB -0.670 37.798 38.460 0.013 0.000 0.995 365 Y HN -0.129 nan 8.280 nan 0.000 0.513 366 V N 0.834 120.725 119.914 -0.038 0.000 2.332 366 V HA -0.305 3.852 4.120 0.062 0.000 0.248 366 V C 2.080 178.096 176.094 -0.130 0.000 1.055 366 V CA 2.220 64.447 62.300 -0.122 0.000 1.038 366 V CB -0.681 31.149 31.823 0.012 0.000 0.651 366 V HN 0.406 nan 8.190 nan 0.000 0.450 367 D N -1.032 119.341 120.400 -0.044 0.000 2.104 367 D HA -0.215 4.463 4.640 0.062 0.000 0.194 367 D C 2.043 178.329 176.300 -0.023 0.000 0.994 367 D CA 1.745 55.733 54.000 -0.019 0.000 0.830 367 D CB -0.403 40.418 40.800 0.035 0.000 0.959 367 D HN 0.621 nan 8.370 nan 0.000 0.452 368 H N 0.434 119.426 119.070 -0.130 0.000 2.353 368 H HA -0.108 4.487 4.556 0.065 0.000 0.300 368 H C 1.838 177.040 175.328 -0.211 0.000 1.090 368 H CA 1.157 57.113 56.048 -0.153 0.000 1.327 368 H CB 0.466 30.131 29.762 -0.161 0.000 1.383 368 H HN 0.003 nan 8.280 nan 0.000 0.508 369 Q N 0.817 120.336 119.800 -0.468 0.000 2.096 369 Q HA -0.117 4.260 4.340 0.062 0.000 0.204 369 Q C 2.826 178.656 176.000 -0.283 0.000 0.982 369 Q CA 0.972 56.496 55.803 -0.464 0.000 0.850 369 Q CB -0.446 28.024 28.738 -0.447 0.000 0.901 369 Q HN 0.525 nan 8.270 nan 0.000 0.422 370 L N 0.516 121.621 121.223 -0.198 0.000 2.056 370 L HA -0.205 4.173 4.340 0.062 0.000 0.207 370 L C 2.202 179.003 176.870 -0.116 0.000 1.078 370 L CA 1.360 56.123 54.840 -0.128 0.000 0.749 370 L CB -0.440 41.563 42.059 -0.095 0.000 0.901 370 L HN 0.186 nan 8.230 nan 0.000 0.433 371 D N -0.137 120.192 120.400 -0.119 0.000 2.104 371 D HA -0.174 4.503 4.640 0.062 0.000 0.194 371 D C 2.140 178.372 176.300 -0.113 0.000 0.994 371 D CA 1.268 55.217 54.000 -0.084 0.000 0.830 371 D CB 0.038 40.817 40.800 -0.036 0.000 0.959 371 D HN 0.010 nan 8.370 nan 0.000 0.452 372 V N 0.187 119.970 119.914 -0.218 0.000 2.332 372 V HA -0.221 3.937 4.120 0.062 0.000 0.248 372 V C 2.532 178.555 176.094 -0.118 0.000 1.055 372 V CA 1.404 63.582 62.300 -0.204 0.000 1.038 372 V CB -0.385 31.233 31.823 -0.341 0.000 0.651 372 V HN 0.253 nan 8.190 nan 0.000 0.450 373 I N 0.126 120.627 120.570 -0.115 0.000 2.252 373 I HA -0.169 4.038 4.170 0.062 0.000 0.245 373 I C 2.431 178.527 176.117 -0.037 0.000 1.102 373 I CA 1.693 62.954 61.300 -0.066 0.000 1.385 373 I CB -0.349 37.614 38.000 -0.063 0.000 1.064 373 I HN 0.319 nan 8.210 nan 0.000 0.414 374 V N -0.557 119.334 119.914 -0.039 0.000 2.515 374 V HA -0.193 3.964 4.120 0.062 0.000 0.250 374 V C 2.463 178.558 176.094 0.002 0.000 1.058 374 V CA 1.405 63.694 62.300 -0.019 0.000 1.064 374 V CB -0.700 31.110 31.823 -0.023 0.000 0.675 374 V HN 0.320 nan 8.190 nan 0.000 0.461 375 R N -0.135 120.363 120.500 -0.003 0.000 2.092 375 R HA -0.052 4.326 4.340 0.062 0.000 0.231 375 R C 2.699 179.029 176.300 0.051 0.000 1.119 375 R CA 1.678 57.791 56.100 0.021 0.000 0.970 375 R CB -0.501 29.802 30.300 0.004 0.000 0.864 375 R HN 0.500 nan 8.270 nan 0.000 0.440 376 R N 0.531 121.048 120.500 0.027 0.000 2.066 376 R HA -0.100 4.277 4.340 0.062 0.000 0.232 376 R C 1.749 178.114 176.300 0.108 0.000 1.131 376 R CA 1.982 58.116 56.100 0.057 0.000 0.955 376 R CB -0.281 30.030 30.300 0.019 0.000 0.851 376 R HN 0.192 nan 8.270 nan 0.000 0.432 377 T N 0.189 114.779 114.554 0.060 0.000 2.708 377 T HA -0.108 4.280 4.350 0.062 0.000 0.266 377 T C 1.839 176.573 174.700 0.056 0.000 1.037 377 T CA 1.961 64.091 62.100 0.049 0.000 1.146 377 T CB -0.507 68.372 68.868 0.019 0.000 0.865 377 T HN 0.330 nan 8.240 nan 0.000 0.435 378 T N 1.035 115.624 114.554 0.059 0.000 2.684 378 T HA -0.145 4.243 4.350 0.062 0.000 0.267 378 T C 1.616 176.360 174.700 0.073 0.000 1.036 378 T CA 1.547 63.679 62.100 0.052 0.000 1.148 378 T CB -0.540 68.359 68.868 0.051 0.000 0.863 378 T HN 0.527 nan 8.240 nan 0.000 0.436 379 Y N 2.072 122.371 120.300 -0.002 0.000 2.133 379 Y HA -0.107 4.480 4.550 0.063 0.000 0.287 379 Y C 2.559 178.461 175.900 0.002 0.000 1.134 379 Y CA 1.268 59.369 58.100 0.001 0.000 1.133 379 Y CB -0.156 38.308 38.460 0.006 0.000 0.987 379 Y HN -0.020 nan 8.280 nan 0.000 0.502 380 R N -0.301 120.258 120.500 0.097 0.000 2.105 380 R HA -0.187 4.190 4.340 0.062 0.000 0.239 380 R C 2.128 178.380 176.300 -0.080 0.000 1.135 380 R CA 1.568 57.667 56.100 -0.001 0.000 0.967 380 R CB -0.781 29.569 30.300 0.083 0.000 0.861 380 R HN 0.381 nan 8.270 nan 0.000 0.442 381 L N 1.506 122.700 121.223 -0.048 0.000 2.083 381 L HA -0.161 4.217 4.340 0.062 0.000 0.209 381 L C 2.480 179.300 176.870 -0.083 0.000 1.083 381 L CA 1.726 56.536 54.840 -0.049 0.000 0.752 381 L CB -0.535 41.509 42.059 -0.025 0.000 0.899 381 L HN 0.031 nan 8.230 nan 0.000 0.433 382 R N -0.579 119.847 120.500 -0.124 0.000 2.066 382 R HA -0.135 4.242 4.340 0.062 0.000 0.232 382 R C 2.069 178.267 176.300 -0.170 0.000 1.131 382 R CA 1.326 57.343 56.100 -0.139 0.000 0.955 382 R CB -0.193 30.016 30.300 -0.152 0.000 0.851 382 R HN 0.188 nan 8.270 nan 0.000 0.432 383 K N 0.743 120.979 120.400 -0.273 0.000 2.057 383 K HA -0.070 4.287 4.320 0.062 0.000 0.207 383 K C 2.131 178.659 176.600 -0.121 0.000 1.049 383 K CA 1.452 57.596 56.287 -0.237 0.000 0.931 383 K CB -0.578 31.712 32.500 -0.350 0.000 0.714 383 K HN 0.354 nan 8.250 nan 0.000 0.440 384 A N 2.011 124.772 122.820 -0.098 0.000 1.865 384 A HA -0.242 4.116 4.320 0.062 0.000 0.217 384 A C 2.067 179.632 177.584 -0.032 0.000 1.191 384 A CA 2.083 54.090 52.037 -0.049 0.000 0.623 384 A CB -0.959 18.020 19.000 -0.036 0.000 0.826 384 A HN 0.471 nan 8.150 nan 0.000 0.444 385 N N -0.281 118.395 118.700 -0.039 0.000 2.061 385 N HA -0.198 4.579 4.740 0.062 0.000 0.193 385 N C 1.711 177.223 175.510 0.002 0.000 1.030 385 N CA 1.718 54.755 53.050 -0.021 0.000 0.856 385 N CB -0.269 38.194 38.487 -0.040 0.000 1.023 385 N HN 0.660 nan 8.380 nan 0.000 0.424 386 E N 0.458 120.645 120.200 -0.021 0.000 2.118 386 E HA -0.208 4.179 4.350 0.062 0.000 0.195 386 E C 2.013 178.641 176.600 0.047 0.000 0.992 386 E CA 0.707 57.112 56.400 0.009 0.000 0.804 386 E CB -0.043 29.642 29.700 -0.026 0.000 0.741 386 E HN 0.298 nan 8.360 nan 0.000 0.458 387 R N 0.489 120.997 120.500 0.013 0.000 2.066 387 R HA -0.080 4.297 4.340 0.062 0.000 0.232 387 R C 2.367 178.682 176.300 0.024 0.000 1.131 387 R CA 1.169 57.276 56.100 0.013 0.000 0.955 387 R CB -0.238 30.059 30.300 -0.004 0.000 0.851 387 R HN 0.158 nan 8.270 nan 0.000 0.432 388 A N 0.458 123.296 122.820 0.029 0.000 1.940 388 A HA -0.237 4.120 4.320 0.062 0.000 0.219 388 A C 2.069 179.687 177.584 0.058 0.000 1.176 388 A CA 1.616 53.672 52.037 0.032 0.000 0.631 388 A CB -1.008 18.008 19.000 0.027 0.000 0.814 388 A HN 0.547 nan 8.150 nan 0.000 0.446 389 H N -0.350 118.708 119.070 -0.020 0.000 2.265 389 H HA -0.152 4.441 4.556 0.063 0.000 0.295 389 H C 1.957 177.276 175.328 -0.014 0.000 1.084 389 H CA 1.965 58.003 56.048 -0.017 0.000 1.261 389 H CB -0.064 29.686 29.762 -0.019 0.000 1.360 389 H HN 0.342 nan 8.280 nan 0.000 0.487 390 I N 1.240 121.776 120.570 -0.057 0.000 2.163 390 I HA -0.287 3.920 4.170 0.062 0.000 0.243 390 I C 2.944 179.004 176.117 -0.095 0.000 1.085 390 I CA 0.947 62.183 61.300 -0.108 0.000 1.347 390 I CB -1.269 36.714 38.000 -0.029 0.000 1.044 390 I HN 0.333 nan 8.210 nan 0.000 0.408 391 L N 0.028 121.221 121.223 -0.050 0.000 2.012 391 L HA -0.227 4.150 4.340 0.062 0.000 0.210 391 L C 2.794 179.634 176.870 -0.051 0.000 1.073 391 L CA 1.381 56.197 54.840 -0.039 0.000 0.748 391 L CB -0.533 41.515 42.059 -0.019 0.000 0.891 391 L HN 0.203 nan 8.230 nan 0.000 0.431 392 R N -0.405 120.059 120.500 -0.059 0.000 2.127 392 R HA -0.150 4.228 4.340 0.062 0.000 0.238 392 R C 2.214 178.467 176.300 -0.078 0.000 1.134 392 R CA 1.316 57.382 56.100 -0.057 0.000 0.975 392 R CB -0.657 29.617 30.300 -0.044 0.000 0.865 392 R HN 0.472 nan 8.270 nan 0.000 0.447 393 G N 0.319 109.045 108.800 -0.124 0.000 2.494 393 G HA2 -0.100 3.898 3.960 0.062 0.000 0.216 393 G HA3 -0.100 3.898 3.960 0.062 0.000 0.216 393 G C 1.404 176.260 174.900 -0.073 0.000 1.140 393 G CA -0.053 44.978 45.100 -0.115 0.000 0.801 393 G HN 0.102 nan 8.290 nan 0.000 0.536 394 L N 0.157 121.342 121.223 -0.063 0.000 2.131 394 L HA 0.018 4.396 4.340 0.062 0.000 0.206 394 L C 2.873 179.723 176.870 -0.033 0.000 1.087 394 L CA 0.301 55.115 54.840 -0.042 0.000 0.767 394 L CB -0.274 41.763 42.059 -0.036 0.000 0.917 394 L HN 0.072 nan 8.230 nan 0.000 0.441 395 V N 0.126 120.020 119.914 -0.033 0.000 2.307 395 V HA -0.282 3.875 4.120 0.062 0.000 0.245 395 V C 2.510 178.590 176.094 -0.023 0.000 1.045 395 V CA 1.653 63.939 62.300 -0.024 0.000 1.024 395 V CB -0.381 31.429 31.823 -0.021 0.000 0.651 395 V HN 0.391 nan 8.190 nan 0.000 0.449 396 K N -0.070 120.313 120.400 -0.029 0.000 2.044 396 K HA -0.234 4.123 4.320 0.062 0.000 0.210 396 K C 2.278 178.865 176.600 -0.022 0.000 1.049 396 K CA 1.706 57.977 56.287 -0.026 0.000 0.927 396 K CB -0.473 32.008 32.500 -0.032 0.000 0.713 396 K HN 0.482 nan 8.250 nan 0.000 0.443 397 A N 1.364 124.169 122.820 -0.026 0.000 1.940 397 A HA -0.166 4.192 4.320 0.062 0.000 0.219 397 A C 2.109 179.683 177.584 -0.017 0.000 1.176 397 A CA 1.330 53.354 52.037 -0.021 0.000 0.631 397 A CB -0.630 18.356 19.000 -0.024 0.000 0.814 397 A HN 0.199 nan 8.150 nan 0.000 0.446 398 L N -0.454 120.759 121.223 -0.017 0.000 2.046 398 L HA -0.187 4.190 4.340 0.062 0.000 0.208 398 L C 1.685 178.549 176.870 -0.011 0.000 1.077 398 L CA 1.508 56.341 54.840 -0.013 0.000 0.747 398 L CB -0.741 41.311 42.059 -0.013 0.000 0.896 398 L HN 0.313 nan 8.230 nan 0.000 0.432 399 D N 0.078 120.471 120.400 -0.012 0.000 2.350 399 D HA -0.060 4.617 4.640 0.062 0.000 0.216 399 D C 1.238 177.533 176.300 -0.009 0.000 0.968 399 D CA 1.026 55.020 54.000 -0.010 0.000 0.894 399 D CB 0.206 41.000 40.800 -0.010 0.000 0.909 399 D HN 0.314 nan 8.370 nan 0.000 0.520 400 A N -0.164 122.650 122.820 -0.010 0.000 2.594 400 A HA 0.174 4.531 4.320 0.062 0.000 0.292 400 A C 1.393 178.972 177.584 -0.009 0.000 1.026 400 A CA -0.364 51.668 52.037 -0.009 0.000 0.983 400 A CB 0.083 19.077 19.000 -0.010 0.000 1.233 400 A HN 0.011 nan 8.150 nan 0.000 0.519 401 L N 0.819 122.037 121.223 -0.009 0.000 1.991 401 L HA -0.248 4.129 4.340 0.062 0.000 0.221 401 L C 1.726 178.592 176.870 -0.007 0.000 1.079 401 L CA 2.870 57.705 54.840 -0.008 0.000 0.778 401 L CB -0.781 41.273 42.059 -0.008 0.000 0.893 401 L HN 0.546 nan 8.230 nan 0.000 0.437 402 D N -0.864 119.532 120.400 -0.006 0.000 2.133 402 D HA -0.205 4.472 4.640 0.062 0.000 0.195 402 D C 2.060 178.356 176.300 -0.005 0.000 0.997 402 D CA 1.561 55.558 54.000 -0.005 0.000 0.840 402 D CB -0.137 40.660 40.800 -0.005 0.000 0.947 402 D HN 0.484 nan 8.370 nan 0.000 0.452 403 E N 0.178 120.375 120.200 -0.006 0.000 2.031 403 E HA -0.143 4.245 4.350 0.062 0.000 0.193 403 E C 2.298 178.894 176.600 -0.006 0.000 0.994 403 E CA 1.110 57.506 56.400 -0.006 0.000 0.800 403 E CB -0.267 29.430 29.700 -0.006 0.000 0.752 403 E HN 0.237 nan 8.360 nan 0.000 0.447 404 V N 0.937 120.847 119.914 -0.008 0.000 2.392 404 V HA -0.243 3.915 4.120 0.062 0.000 0.249 404 V C 1.882 177.972 176.094 -0.007 0.000 1.059 404 V CA 1.619 63.914 62.300 -0.008 0.000 1.051 404 V CB -0.478 31.339 31.823 -0.011 0.000 0.658 404 V HN 0.254 nan 8.190 nan 0.000 0.455 405 I N 0.998 121.564 120.570 -0.007 0.000 2.202 405 I HA -0.136 4.071 4.170 0.062 0.000 0.242 405 I C 2.990 179.105 176.117 -0.005 0.000 1.091 405 I CA 1.776 63.073 61.300 -0.006 0.000 1.368 405 I CB -1.325 36.672 38.000 -0.005 0.000 1.058 405 I HN 0.456 nan 8.210 nan 0.000 0.410 406 A N 1.243 124.060 122.820 -0.005 0.000 1.902 406 A HA -0.191 4.167 4.320 0.062 0.000 0.217 406 A C 2.426 180.008 177.584 -0.004 0.000 1.181 406 A CA 1.304 53.339 52.037 -0.004 0.000 0.623 406 A CB -0.865 18.133 19.000 -0.004 0.000 0.818 406 A HN 0.448 nan 8.150 nan 0.000 0.443 407 L N -0.260 120.961 121.223 -0.005 0.000 2.012 407 L HA -0.187 4.191 4.340 0.062 0.000 0.210 407 L C 2.376 179.244 176.870 -0.004 0.000 1.073 407 L CA 1.820 56.657 54.840 -0.004 0.000 0.748 407 L CB -0.275 41.781 42.059 -0.005 0.000 0.891 407 L HN 0.450 nan 8.230 nan 0.000 0.431 408 I N -0.336 120.231 120.570 -0.005 0.000 2.226 408 I HA -0.301 3.907 4.170 0.062 0.000 0.245 408 I C 2.634 178.748 176.117 -0.004 0.000 1.100 408 I CA 1.408 62.705 61.300 -0.005 0.000 1.374 408 I CB -0.388 37.609 38.000 -0.005 0.000 1.057 408 I HN 0.276 nan 8.210 nan 0.000 0.413 409 R N 0.966 121.464 120.500 -0.004 0.000 2.148 409 R HA -0.023 4.354 4.340 0.062 0.000 0.227 409 R C 2.310 178.608 176.300 -0.003 0.000 1.103 409 R CA 1.202 57.300 56.100 -0.003 0.000 0.983 409 R CB -0.378 29.920 30.300 -0.003 0.000 0.874 409 R HN 0.346 nan 8.270 nan 0.000 0.451 410 A N 1.088 123.907 122.820 -0.003 0.000 1.975 410 A HA 0.051 4.408 4.320 0.062 0.000 0.215 410 A C 0.863 178.446 177.584 -0.002 0.000 1.170 410 A CA 0.190 52.225 52.037 -0.002 0.000 0.656 410 A CB 0.097 19.095 19.000 -0.003 0.000 0.821 410 A HN 0.163 nan 8.150 nan 0.000 0.449 411 S N 0.488 116.187 115.700 -0.003 0.000 2.537 411 S HA 0.137 4.644 4.470 0.062 0.000 0.286 411 S C 0.770 175.369 174.600 -0.002 0.000 1.299 411 S CA 0.205 58.403 58.200 -0.002 0.000 1.067 411 S CB 1.321 64.520 63.200 -0.003 0.000 0.864 411 S HN 0.537 nan 8.310 nan 0.000 0.494 412 E N 1.842 122.041 120.200 -0.002 0.000 2.285 412 E HA -0.042 4.346 4.350 0.062 0.000 0.194 412 E C 0.815 177.414 176.600 -0.002 0.000 0.997 412 E CA 0.758 57.157 56.400 -0.002 0.000 0.845 412 E CB 0.291 29.990 29.700 -0.001 0.000 0.782 412 E HN 0.817 nan 8.360 nan 0.000 0.491 413 T N -3.997 110.557 114.554 -0.002 0.000 2.864 413 T HA 0.227 4.615 4.350 0.062 0.000 0.299 413 T C 0.871 175.570 174.700 -0.002 0.000 1.166 413 T CA -0.331 61.768 62.100 -0.002 0.000 1.007 413 T CB 1.143 70.010 68.868 -0.001 0.000 1.219 413 T HN -0.045 nan 8.240 nan 0.000 0.506 414 V N 0.086 119.998 119.914 -0.002 0.000 2.626 414 V HA -0.018 4.139 4.120 0.062 0.000 0.252 414 V C 1.566 177.659 176.094 -0.002 0.000 1.067 414 V CA 2.231 64.530 62.300 -0.002 0.000 1.081 414 V CB -1.137 30.685 31.823 -0.002 0.000 0.686 414 V HN 0.883 nan 8.190 nan 0.000 0.468 415 D N 0.718 121.117 120.400 -0.001 0.000 2.084 415 D HA -0.092 4.585 4.640 0.062 0.000 0.196 415 D C 2.016 178.315 176.300 -0.001 0.000 0.985 415 D CA 2.176 56.176 54.000 -0.001 0.000 0.826 415 D CB -0.300 40.499 40.800 -0.001 0.000 0.978 415 D HN 0.533 nan 8.370 nan 0.000 0.456 416 I N 0.997 121.566 120.570 -0.002 0.000 2.151 416 I HA -0.324 3.884 4.170 0.062 0.000 0.243 416 I C 2.385 178.500 176.117 -0.002 0.000 1.080 416 I CA 1.279 62.578 61.300 -0.002 0.000 1.339 416 I CB -0.264 37.735 38.000 -0.002 0.000 1.039 416 I HN -0.009 nan 8.210 nan 0.000 0.409 417 A N 0.336 123.154 122.820 -0.003 0.000 1.908 417 A HA -0.263 4.094 4.320 0.062 0.000 0.218 417 A C 2.429 180.010 177.584 -0.005 0.000 1.181 417 A CA 1.930 53.964 52.037 -0.004 0.000 0.627 417 A CB -0.669 18.329 19.000 -0.004 0.000 0.818 417 A HN 0.350 nan 8.150 nan 0.000 0.445 418 R N -0.576 119.921 120.500 -0.004 0.000 2.081 418 R HA -0.110 4.267 4.340 0.062 0.000 0.235 418 R C 2.344 178.642 176.300 -0.003 0.000 1.131 418 R CA 1.454 57.552 56.100 -0.004 0.000 0.960 418 R CB -0.381 29.917 30.300 -0.002 0.000 0.856 418 R HN 0.473 nan 8.270 nan 0.000 0.436 419 A N -0.033 122.785 122.820 -0.002 0.000 1.873 419 A HA -0.051 4.307 4.320 0.062 0.000 0.215 419 A C 2.339 179.922 177.584 -0.002 0.000 1.186 419 A CA 1.635 53.671 52.037 -0.002 0.000 0.616 419 A CB -1.245 17.755 19.000 -0.001 0.000 0.823 419 A HN 0.563 nan 8.150 nan 0.000 0.442 420 G N -0.114 108.684 108.800 -0.003 0.000 2.440 420 G HA2 -0.191 3.807 3.960 0.062 0.000 0.218 420 G HA3 -0.191 3.807 3.960 0.062 0.000 0.218 420 G C 1.558 176.455 174.900 -0.005 0.000 1.154 420 G CA 1.111 46.209 45.100 -0.004 0.000 0.767 420 G HN 0.432 nan 8.290 nan 0.000 0.552 421 L N -0.123 121.096 121.223 -0.007 0.000 2.093 421 L HA 0.007 4.385 4.340 0.062 0.000 0.208 421 L C 2.829 179.693 176.870 -0.010 0.000 1.085 421 L CA 0.533 55.367 54.840 -0.009 0.000 0.755 421 L CB -0.338 41.714 42.059 -0.012 0.000 0.904 421 L HN 0.182 nan 8.230 nan 0.000 0.435 422 I N -0.148 120.418 120.570 -0.007 0.000 2.163 422 I HA -0.300 3.907 4.170 0.062 0.000 0.243 422 I C 2.517 178.631 176.117 -0.004 0.000 1.085 422 I CA 1.510 62.807 61.300 -0.005 0.000 1.347 422 I CB -0.247 37.752 38.000 -0.001 0.000 1.044 422 I HN 0.301 nan 8.210 nan 0.000 0.408 423 E N 0.614 120.812 120.200 -0.003 0.000 2.015 423 E HA -0.221 4.166 4.350 0.062 0.000 0.191 423 E C 2.277 178.875 176.600 -0.004 0.000 0.991 423 E CA 0.996 57.395 56.400 -0.003 0.000 0.802 423 E CB -0.490 29.209 29.700 -0.002 0.000 0.759 423 E HN 0.369 nan 8.360 nan 0.000 0.447 424 L N 1.215 122.435 121.223 -0.005 0.000 2.051 424 L HA -0.201 4.176 4.340 0.062 0.000 0.214 424 L C 1.941 178.806 176.870 -0.008 0.000 1.076 424 L CA 1.889 56.725 54.840 -0.006 0.000 0.758 424 L CB -0.323 41.732 42.059 -0.007 0.000 0.890 424 L HN 0.206 nan 8.230 nan 0.000 0.433 425 L N -1.056 120.161 121.223 -0.010 0.000 2.590 425 L HA 0.119 4.497 4.340 0.062 0.000 0.227 425 L C 0.169 177.032 176.870 -0.012 0.000 1.099 425 L CA 0.412 55.244 54.840 -0.013 0.000 0.872 425 L CB 0.019 42.067 42.059 -0.020 0.000 1.088 425 L HN 0.312 nan 8.230 nan 0.000 0.479 426 D N 1.382 121.777 120.400 -0.008 0.000 3.026 426 D HA -0.173 4.504 4.640 0.062 0.000 0.248 426 D C -0.513 175.784 176.300 -0.005 0.000 1.100 426 D CA 0.517 54.515 54.000 -0.003 0.000 0.855 426 D CB -0.690 40.109 40.800 -0.002 0.000 1.011 426 D HN 0.434 nan 8.370 nan 0.000 0.423 427 I N -2.212 118.354 120.570 -0.006 0.000 3.102 427 I HA 0.641 4.848 4.170 0.062 0.000 0.310 427 I C -0.169 175.951 176.117 0.005 0.000 1.246 427 I CA -1.235 60.057 61.300 -0.012 0.000 0.979 427 I CB 1.622 39.595 38.000 -0.045 0.000 1.267 427 I HN -0.019 nan 8.210 nan 0.000 0.451 428 D N 1.635 122.050 120.400 0.026 0.000 2.433 428 D HA 0.163 4.841 4.640 0.062 0.000 0.255 428 D C 0.528 176.844 176.300 0.028 0.000 1.226 428 D CA -0.150 53.879 54.000 0.047 0.000 1.015 428 D CB 0.752 41.616 40.800 0.107 0.000 1.091 428 D HN 0.758 nan 8.370 nan 0.000 0.527 429 E N -0.770 119.449 120.200 0.032 0.000 2.110 429 E HA -0.111 4.276 4.350 0.062 0.000 0.193 429 E C 1.901 178.513 176.600 0.020 0.000 0.988 429 E CA 0.459 56.871 56.400 0.020 0.000 0.804 429 E CB -0.054 29.657 29.700 0.018 0.000 0.745 429 E HN 0.471 nan 8.360 nan 0.000 0.458 430 I N 0.976 121.572 120.570 0.043 0.000 2.179 430 I HA -0.347 3.860 4.170 0.062 0.000 0.242 430 I C 2.234 178.354 176.117 0.004 0.000 1.088 430 I CA 1.412 62.738 61.300 0.043 0.000 1.357 430 I CB 0.037 38.092 38.000 0.092 0.000 1.051 430 I HN 0.149 nan 8.210 nan 0.000 0.409 431 Q N 0.312 120.091 119.800 -0.034 0.000 2.084 431 Q HA -0.211 4.167 4.340 0.062 0.000 0.202 431 Q C 2.252 178.214 176.000 -0.063 0.000 0.978 431 Q CA 1.827 57.562 55.803 -0.112 0.000 0.844 431 Q CB -0.278 28.331 28.738 -0.215 0.000 0.898 431 Q HN 0.645 nan 8.270 nan 0.000 0.426 432 A N 0.407 123.205 122.820 -0.036 0.000 2.015 432 A HA -0.220 4.138 4.320 0.062 0.000 0.219 432 A C 1.972 179.545 177.584 -0.018 0.000 1.163 432 A CA 1.465 53.487 52.037 -0.025 0.000 0.646 432 A CB -0.295 18.697 19.000 -0.014 0.000 0.806 432 A HN 0.222 nan 8.150 nan 0.000 0.448 433 Q N -0.281 119.512 119.800 -0.012 0.000 2.187 433 Q HA 0.156 4.533 4.340 0.062 0.000 0.199 433 Q C 1.973 177.967 176.000 -0.011 0.000 0.957 433 Q CA 1.580 57.379 55.803 -0.008 0.000 0.857 433 Q CB -0.551 28.186 28.738 -0.001 0.000 0.929 433 Q HN 0.521 nan 8.270 nan 0.000 0.453 434 A N 0.122 122.932 122.820 -0.017 0.000 1.933 434 A HA -0.123 4.234 4.320 0.062 0.000 0.218 434 A C 2.050 179.622 177.584 -0.020 0.000 1.175 434 A CA 1.363 53.388 52.037 -0.019 0.000 0.628 434 A CB -0.639 18.343 19.000 -0.029 0.000 0.814 434 A HN 0.451 nan 8.150 nan 0.000 0.444 435 I N -0.588 119.967 120.570 -0.025 0.000 2.315 435 I HA -0.224 3.983 4.170 0.062 0.000 0.248 435 I C 2.093 178.201 176.117 -0.015 0.000 1.117 435 I CA 1.018 62.305 61.300 -0.022 0.000 1.404 435 I CB -0.193 37.792 38.000 -0.025 0.000 1.071 435 I HN 0.248 nan 8.210 nan 0.000 0.419 436 L N -0.069 121.146 121.223 -0.013 0.000 2.376 436 L HA -0.126 4.252 4.340 0.062 0.000 0.219 436 L C 1.450 178.316 176.870 -0.007 0.000 1.133 436 L CA 0.795 55.630 54.840 -0.009 0.000 0.816 436 L CB -0.372 41.683 42.059 -0.007 0.000 0.933 436 L HN 0.200 nan 8.230 nan 0.000 0.449 437 D N -0.631 119.764 120.400 -0.008 0.000 2.354 437 D HA 0.029 4.707 4.640 0.062 0.000 0.209 437 D C 0.998 177.295 176.300 -0.006 0.000 1.015 437 D CA 0.213 54.210 54.000 -0.006 0.000 0.867 437 D CB 0.216 41.014 40.800 -0.005 0.000 0.933 437 D HN 0.188 nan 8.370 nan 0.000 0.520 438 M N 1.156 120.752 119.600 -0.008 0.000 2.250 438 M HA -0.047 4.470 4.480 0.062 0.000 0.337 438 M C -0.104 176.192 176.300 -0.006 0.000 1.161 438 M CA 0.589 55.884 55.300 -0.008 0.000 1.088 438 M CB 0.575 33.169 32.600 -0.010 0.000 1.639 438 M HN -0.187 nan 8.290 nan 0.000 0.447 439 Q N 3.282 123.079 119.800 -0.005 0.000 2.226 439 Q HA 0.296 4.674 4.340 0.062 0.000 0.256 439 Q C 0.824 176.821 176.000 -0.004 0.000 0.962 439 Q CA -0.678 55.123 55.803 -0.004 0.000 0.887 439 Q CB 1.598 30.334 28.738 -0.002 0.000 1.282 439 Q HN 0.802 nan 8.270 nan 0.000 0.449 440 L N 1.384 122.605 121.223 -0.003 0.000 2.021 440 L HA -0.299 4.079 4.340 0.062 0.000 0.215 440 L C 2.488 179.356 176.870 -0.003 0.000 1.074 440 L CA 1.881 56.719 54.840 -0.003 0.000 0.760 440 L CB -0.631 41.427 42.059 -0.002 0.000 0.889 440 L HN 0.744 nan 8.230 nan 0.000 0.433 441 R N 0.420 120.919 120.500 -0.002 0.000 2.261 441 R HA -0.190 4.188 4.340 0.062 0.000 0.236 441 R C 1.888 178.187 176.300 -0.002 0.000 1.141 441 R CA 1.261 57.360 56.100 -0.002 0.000 1.001 441 R CB -0.479 29.820 30.300 -0.001 0.000 0.866 441 R HN 0.355 nan 8.270 nan 0.000 0.468 442 R N 0.658 121.156 120.500 -0.003 0.000 2.313 442 R HA 0.172 4.549 4.340 0.062 0.000 0.199 442 R C 1.396 177.694 176.300 -0.005 0.000 0.958 442 R CA 0.203 56.301 56.100 -0.004 0.000 1.047 442 R CB 0.142 30.439 30.300 -0.005 0.000 0.955 442 R HN 0.336 nan 8.270 nan 0.000 0.481 443 L N 0.037 121.258 121.223 -0.004 0.000 2.567 443 L HA 0.221 4.599 4.340 0.062 0.000 0.225 443 L C 0.921 177.788 176.870 -0.004 0.000 1.119 443 L CA -0.353 54.484 54.840 -0.005 0.000 0.871 443 L CB -0.007 42.049 42.059 -0.005 0.000 1.036 443 L HN 0.012 nan 8.230 nan 0.000 0.459 444 A N 0.342 123.160 122.820 -0.003 0.000 2.483 444 A HA 0.379 4.736 4.320 0.062 0.000 0.238 444 A C 1.603 179.186 177.584 -0.002 0.000 1.070 444 A CA 0.611 52.646 52.037 -0.002 0.000 0.770 444 A CB 0.505 19.504 19.000 -0.002 0.000 1.008 444 A HN 0.319 nan 8.150 nan 0.000 0.497 445 A N 1.687 124.506 122.820 -0.002 0.000 1.881 445 A HA -0.217 4.140 4.320 0.062 0.000 0.219 445 A C 1.975 179.558 177.584 -0.002 0.000 1.215 445 A CA 2.253 54.289 52.037 -0.002 0.000 0.648 445 A CB -0.799 18.200 19.000 -0.002 0.000 0.832 445 A HN 1.499 nan 8.150 nan 0.000 0.455 446 L N -0.973 120.249 121.223 -0.002 0.000 2.275 446 L HA -0.058 4.320 4.340 0.062 0.000 0.215 446 L C 2.047 178.916 176.870 -0.002 0.000 1.119 446 L CA 2.037 56.876 54.840 -0.001 0.000 0.790 446 L CB -0.583 41.476 42.059 -0.000 0.000 0.919 446 L HN 0.331 nan 8.230 nan 0.000 0.443 447 E N 0.108 120.306 120.200 -0.002 0.000 2.046 447 E HA -0.136 4.252 4.350 0.062 0.000 0.190 447 E C 2.335 178.933 176.600 -0.004 0.000 0.982 447 E CA 1.004 57.403 56.400 -0.002 0.000 0.800 447 E CB -0.168 29.531 29.700 -0.002 0.000 0.756 447 E HN 0.506 nan 8.360 nan 0.000 0.449 448 R N 0.398 120.896 120.500 -0.004 0.000 2.091 448 R HA -0.114 4.263 4.340 0.062 0.000 0.238 448 R C 2.354 178.651 176.300 -0.005 0.000 1.136 448 R CA 1.110 57.206 56.100 -0.005 0.000 0.959 448 R CB -0.168 30.129 30.300 -0.005 0.000 0.856 448 R HN 0.111 nan 8.270 nan 0.000 0.437 449 Q N 0.620 120.417 119.800 -0.004 0.000 2.170 449 Q HA -0.123 4.255 4.340 0.062 0.000 0.203 449 Q C 1.993 177.991 176.000 -0.003 0.000 0.976 449 Q CA 1.225 57.025 55.803 -0.004 0.000 0.858 449 Q CB -0.145 28.592 28.738 -0.003 0.000 0.907 449 Q HN 0.274 nan 8.270 nan 0.000 0.433 450 R N 0.004 120.503 120.500 -0.003 0.000 2.096 450 R HA -0.097 4.281 4.340 0.062 0.000 0.235 450 R C 2.233 178.531 176.300 -0.003 0.000 1.127 450 R CA 0.948 57.047 56.100 -0.002 0.000 0.968 450 R CB -0.168 30.131 30.300 -0.001 0.000 0.861 450 R HN 0.232 nan 8.270 nan 0.000 0.440 451 I N 0.283 120.849 120.570 -0.005 0.000 2.202 451 I HA -0.292 3.915 4.170 0.062 0.000 0.242 451 I C 2.071 178.184 176.117 -0.008 0.000 1.091 451 I CA 1.093 62.388 61.300 -0.007 0.000 1.368 451 I CB -0.183 37.811 38.000 -0.010 0.000 1.058 451 I HN 0.115 nan 8.210 nan 0.000 0.410 452 I N 0.824 121.389 120.570 -0.007 0.000 2.099 452 I HA -0.335 3.873 4.170 0.062 0.000 0.239 452 I C 2.109 178.223 176.117 -0.005 0.000 1.066 452 I CA 1.760 63.056 61.300 -0.007 0.000 1.324 452 I CB -0.550 37.447 38.000 -0.006 0.000 1.037 452 I HN 0.199 nan 8.210 nan 0.000 0.401 453 D N 0.484 120.882 120.400 -0.003 0.000 2.133 453 D HA -0.210 4.468 4.640 0.062 0.000 0.195 453 D C 1.839 178.138 176.300 -0.002 0.000 0.997 453 D CA 1.468 55.466 54.000 -0.002 0.000 0.840 453 D CB -0.523 40.277 40.800 -0.001 0.000 0.947 453 D HN 0.348 nan 8.370 nan 0.000 0.452 454 D N -0.262 120.137 120.400 -0.002 0.000 2.092 454 D HA -0.127 4.550 4.640 0.062 0.000 0.193 454 D C 1.956 178.255 176.300 -0.002 0.000 0.994 454 D CA 0.326 54.325 54.000 -0.001 0.000 0.828 454 D CB -0.254 40.545 40.800 -0.002 0.000 0.963 454 D HN 0.015 nan 8.370 nan 0.000 0.450 455 L N 0.769 121.990 121.223 -0.004 0.000 2.043 455 L HA -0.171 4.206 4.340 0.062 0.000 0.212 455 L C 2.027 178.896 176.870 -0.002 0.000 1.075 455 L CA 1.981 56.819 54.840 -0.004 0.000 0.752 455 L CB -1.153 40.903 42.059 -0.006 0.000 0.891 455 L HN 0.044 nan 8.230 nan 0.000 0.432 456 A N -0.963 121.856 122.820 -0.002 0.000 1.902 456 A HA -0.236 4.121 4.320 0.062 0.000 0.217 456 A C 2.348 179.932 177.584 -0.001 0.000 1.181 456 A CA 1.900 53.936 52.037 -0.002 0.000 0.623 456 A CB -0.459 18.540 19.000 -0.002 0.000 0.818 456 A HN 0.483 nan 8.150 nan 0.000 0.443 457 K N -0.829 119.571 120.400 -0.000 0.000 2.057 457 K HA -0.096 4.262 4.320 0.062 0.000 0.207 457 K C 1.821 178.422 176.600 0.001 0.000 1.049 457 K CA 1.445 57.733 56.287 0.001 0.000 0.931 457 K CB -0.350 32.151 32.500 0.002 0.000 0.714 457 K HN 0.475 nan 8.250 nan 0.000 0.440 458 I N 1.921 122.491 120.570 0.000 0.000 2.179 458 I HA -0.274 3.933 4.170 0.062 0.000 0.242 458 I C 1.839 177.955 176.117 -0.001 0.000 1.088 458 I CA 1.720 63.020 61.300 -0.000 0.000 1.357 458 I CB -0.035 37.965 38.000 -0.000 0.000 1.051 458 I HN 0.168 nan 8.210 nan 0.000 0.409 459 E N 0.778 120.978 120.200 -0.000 0.000 2.085 459 E HA -0.254 4.133 4.350 0.062 0.000 0.194 459 E C 2.235 178.834 176.600 -0.002 0.000 0.994 459 E CA 1.427 57.827 56.400 -0.001 0.000 0.801 459 E CB -0.508 29.192 29.700 0.000 0.000 0.743 459 E HN 0.652 nan 8.360 nan 0.000 0.453 460 A N 1.574 124.393 122.820 -0.001 0.000 1.933 460 A HA -0.224 4.133 4.320 0.062 0.000 0.218 460 A C 2.012 179.595 177.584 -0.002 0.000 1.175 460 A CA 1.517 53.553 52.037 -0.002 0.000 0.628 460 A CB -0.398 18.602 19.000 -0.001 0.000 0.814 460 A HN 0.181 nan 8.150 nan 0.000 0.444 461 E N -0.335 119.864 120.200 -0.001 0.000 2.031 461 E HA -0.151 4.237 4.350 0.062 0.000 0.193 461 E C 1.850 178.448 176.600 -0.003 0.000 0.994 461 E CA 1.259 57.659 56.400 -0.000 0.000 0.800 461 E CB -0.308 29.393 29.700 0.001 0.000 0.752 461 E HN 0.660 nan 8.360 nan 0.000 0.447 462 I N 1.240 121.807 120.570 -0.005 0.000 2.113 462 I HA -0.372 3.836 4.170 0.062 0.000 0.242 462 I C 2.489 178.602 176.117 -0.007 0.000 1.064 462 I CA 1.357 62.652 61.300 -0.008 0.000 1.320 462 I CB -0.364 37.630 38.000 -0.009 0.000 1.028 462 I HN 0.130 nan 8.210 nan 0.000 0.406 463 A N 0.240 123.056 122.820 -0.006 0.000 1.859 463 A HA -0.355 4.003 4.320 0.062 0.000 0.217 463 A C 2.053 179.633 177.584 -0.006 0.000 1.198 463 A CA 2.541 54.575 52.037 -0.006 0.000 0.629 463 A CB -0.971 18.025 19.000 -0.005 0.000 0.830 463 A HN 0.488 nan 8.150 nan 0.000 0.446 464 D N -0.470 119.927 120.400 -0.005 0.000 2.149 464 D HA -0.119 4.558 4.640 0.062 0.000 0.198 464 D C 1.830 178.126 176.300 -0.005 0.000 0.990 464 D CA 1.260 55.257 54.000 -0.005 0.000 0.839 464 D CB -0.217 40.582 40.800 -0.003 0.000 0.948 464 D HN 0.446 nan 8.370 nan 0.000 0.460 465 L N 0.070 121.290 121.223 -0.004 0.000 2.017 465 L HA -0.116 4.261 4.340 0.062 0.000 0.208 465 L C 2.475 179.342 176.870 -0.006 0.000 1.073 465 L CA 1.292 56.131 54.840 -0.003 0.000 0.745 465 L CB -0.413 41.644 42.059 -0.002 0.000 0.894 465 L HN 0.054 nan 8.230 nan 0.000 0.432 466 E N -0.307 119.888 120.200 -0.008 0.000 2.160 466 E HA -0.268 4.119 4.350 0.062 0.000 0.195 466 E C 1.657 178.251 176.600 -0.011 0.000 0.991 466 E CA 1.344 57.738 56.400 -0.010 0.000 0.810 466 E CB -0.024 29.669 29.700 -0.010 0.000 0.742 466 E HN 0.388 nan 8.360 nan 0.000 0.466 467 D N 0.338 120.731 120.400 -0.011 0.000 2.097 467 D HA -0.108 4.569 4.640 0.062 0.000 0.197 467 D C 1.742 178.033 176.300 -0.016 0.000 0.984 467 D CA 0.857 54.850 54.000 -0.013 0.000 0.826 467 D CB 0.017 40.810 40.800 -0.012 0.000 0.973 467 D HN 0.096 nan 8.370 nan 0.000 0.460 468 I N 0.260 120.821 120.570 -0.014 0.000 2.208 468 I HA -0.242 3.966 4.170 0.062 0.000 0.245 468 I C 2.411 178.516 176.117 -0.020 0.000 1.097 468 I CA 0.643 61.932 61.300 -0.018 0.000 1.363 468 I CB -0.186 37.807 38.000 -0.013 0.000 1.051 468 I HN 0.121 nan 8.210 nan 0.000 0.413 469 L N 0.340 121.553 121.223 -0.016 0.000 2.131 469 L HA -0.211 4.166 4.340 0.062 0.000 0.210 469 L C 2.711 179.569 176.870 -0.020 0.000 1.092 469 L CA 1.497 56.328 54.840 -0.016 0.000 0.759 469 L CB -0.728 41.324 42.059 -0.011 0.000 0.903 469 L HN 0.300 nan 8.230 nan 0.000 0.435 470 A N -0.137 122.672 122.820 -0.019 0.000 2.021 470 A HA -0.048 4.310 4.320 0.062 0.000 0.216 470 A C 0.901 178.470 177.584 -0.026 0.000 1.163 470 A CA 0.607 52.632 52.037 -0.020 0.000 0.676 470 A CB 0.011 19.001 19.000 -0.017 0.000 0.818 470 A HN 0.282 nan 8.150 nan 0.000 0.453 471 K N 0.048 120.430 120.400 -0.030 0.000 2.367 471 K HA 0.358 4.715 4.320 0.062 0.000 0.263 471 K C -2.497 174.072 176.600 -0.051 0.000 1.000 471 K CA -2.020 54.245 56.287 -0.038 0.000 0.891 471 K CB 1.843 34.323 32.500 -0.033 0.000 1.117 471 K HN -0.088 nan 8.250 nan 0.000 0.443 472 P HA -0.226 nan 4.420 nan 0.000 0.220 472 P C 0.978 178.206 177.300 -0.121 0.000 1.148 472 P CA 1.142 64.184 63.100 -0.097 0.000 0.803 472 P CB 0.286 31.916 31.700 -0.116 0.000 0.782 473 E N 0.145 120.282 120.200 -0.104 0.000 2.152 473 E HA -0.139 4.249 4.350 0.062 0.000 0.192 473 E C 1.889 178.448 176.600 -0.069 0.000 0.983 473 E CA 0.871 57.212 56.400 -0.098 0.000 0.818 473 E CB -0.619 29.041 29.700 -0.066 0.000 0.758 473 E HN 0.240 nan 8.360 nan 0.000 0.467 474 R N 0.618 121.085 120.500 -0.056 0.000 2.090 474 R HA -0.036 4.341 4.340 0.062 0.000 0.228 474 R C 2.522 178.797 176.300 -0.042 0.000 1.110 474 R CA 1.504 57.579 56.100 -0.042 0.000 0.973 474 R CB -0.128 30.152 30.300 -0.033 0.000 0.869 474 R HN 0.309 nan 8.270 nan 0.000 0.440 475 Q N -0.022 119.747 119.800 -0.052 0.000 2.050 475 Q HA -0.119 4.259 4.340 0.062 0.000 0.202 475 Q C 2.166 178.135 176.000 -0.053 0.000 0.980 475 Q CA 1.359 57.132 55.803 -0.051 0.000 0.840 475 Q CB -0.094 28.608 28.738 -0.060 0.000 0.898 475 Q HN 0.216 nan 8.270 nan 0.000 0.424 476 R N -0.177 120.281 120.500 -0.070 0.000 2.105 476 R HA -0.122 4.256 4.340 0.062 0.000 0.239 476 R C 2.329 178.612 176.300 -0.028 0.000 1.135 476 R CA 1.279 57.343 56.100 -0.060 0.000 0.967 476 R CB -0.470 29.769 30.300 -0.101 0.000 0.861 476 R HN 0.369 nan 8.270 nan 0.000 0.442 477 G N 0.620 109.399 108.800 -0.035 0.000 2.422 477 G HA2 -0.189 3.808 3.960 0.062 0.000 0.218 477 G HA3 -0.189 3.808 3.960 0.062 0.000 0.218 477 G C 1.407 176.298 174.900 -0.015 0.000 1.140 477 G CA 0.336 45.418 45.100 -0.029 0.000 0.775 477 G HN 0.172 nan 8.290 nan 0.000 0.545 478 I N 0.797 121.360 120.570 -0.013 0.000 2.202 478 I HA -0.141 4.066 4.170 0.062 0.000 0.242 478 I C 2.924 179.052 176.117 0.018 0.000 1.091 478 I CA 1.170 62.468 61.300 -0.002 0.000 1.368 478 I CB -0.347 37.647 38.000 -0.009 0.000 1.058 478 I HN 0.177 nan 8.210 nan 0.000 0.410 479 V N 0.537 120.461 119.914 0.016 0.000 2.490 479 V HA -0.247 3.910 4.120 0.062 0.000 0.250 479 V C 2.590 178.761 176.094 0.127 0.000 1.061 479 V CA 1.800 64.126 62.300 0.043 0.000 1.064 479 V CB -0.690 31.134 31.823 0.001 0.000 0.670 479 V HN 0.394 nan 8.190 nan 0.000 0.461 480 R N -0.272 120.303 120.500 0.126 0.000 2.066 480 R HA -0.147 4.231 4.340 0.062 0.000 0.232 480 R C 2.119 178.480 176.300 0.102 0.000 1.131 480 R CA 2.141 58.354 56.100 0.188 0.000 0.955 480 R CB -0.482 29.835 30.300 0.027 0.000 0.851 480 R HN 0.609 nan 8.270 nan 0.000 0.432 481 D N 0.457 120.873 120.400 0.027 0.000 2.117 481 D HA -0.131 4.547 4.640 0.062 0.000 0.198 481 D C 1.785 178.122 176.300 0.062 0.000 0.982 481 D CA 1.200 55.204 54.000 0.007 0.000 0.828 481 D CB -0.107 40.687 40.800 -0.010 0.000 0.967 481 D HN 0.415 nan 8.370 nan 0.000 0.464 482 E N 0.145 120.393 120.200 0.081 0.000 2.072 482 E HA -0.139 4.248 4.350 0.062 0.000 0.191 482 E C 2.081 178.765 176.600 0.139 0.000 0.985 482 E CA 0.287 56.742 56.400 0.091 0.000 0.801 482 E CB -0.054 29.690 29.700 0.073 0.000 0.750 482 E HN 0.086 nan 8.360 nan 0.000 0.452 483 L N 1.118 122.461 121.223 0.200 0.000 2.083 483 L HA -0.107 4.270 4.340 0.062 0.000 0.209 483 L C 2.198 179.251 176.870 0.305 0.000 1.083 483 L CA 1.863 56.851 54.840 0.246 0.000 0.752 483 L CB -0.633 41.592 42.059 0.276 0.000 0.899 483 L HN 0.025 nan 8.230 nan 0.000 0.433 484 A N -0.884 122.168 122.820 0.387 0.000 1.902 484 A HA -0.274 4.084 4.320 0.062 0.000 0.217 484 A C 2.287 179.965 177.584 0.157 0.000 1.181 484 A CA 1.812 54.044 52.037 0.325 0.000 0.623 484 A CB -0.711 18.331 19.000 0.069 0.000 0.818 484 A HN 0.563 nan 8.150 nan 0.000 0.443 485 E N -0.317 119.947 120.200 0.106 0.000 2.058 485 E HA -0.183 4.205 4.350 0.062 0.000 0.194 485 E C 1.808 178.441 176.600 0.054 0.000 0.997 485 E CA 1.489 57.925 56.400 0.060 0.000 0.801 485 E CB -0.254 29.478 29.700 0.054 0.000 0.746 485 E HN 0.679 nan 8.360 nan 0.000 0.450 486 I N -0.092 120.538 120.570 0.099 0.000 2.226 486 I HA -0.266 3.942 4.170 0.062 0.000 0.245 486 I C 2.125 178.289 176.117 0.078 0.000 1.100 486 I CA 0.770 62.145 61.300 0.125 0.000 1.374 486 I CB -0.084 38.003 38.000 0.145 0.000 1.057 486 I HN 0.065 nan 8.210 nan 0.000 0.413 487 V N 0.204 120.163 119.914 0.076 0.000 2.626 487 V HA -0.241 3.917 4.120 0.062 0.000 0.252 487 V C 1.933 178.042 176.094 0.025 0.000 1.067 487 V CA 1.603 63.931 62.300 0.047 0.000 1.081 487 V CB -0.704 31.164 31.823 0.076 0.000 0.686 487 V HN 0.398 nan 8.190 nan 0.000 0.468 488 D N -0.058 120.352 120.400 0.017 0.000 2.123 488 D HA -0.120 4.558 4.640 0.062 0.000 0.200 488 D C 2.335 178.587 176.300 -0.081 0.000 0.976 488 D CA 1.181 55.172 54.000 -0.014 0.000 0.831 488 D CB 0.009 40.804 40.800 -0.007 0.000 0.974 488 D HN 0.348 nan 8.370 nan 0.000 0.469 489 R N -0.309 120.085 120.500 -0.177 0.000 2.055 489 R HA -0.036 4.342 4.340 0.062 0.000 0.226 489 R C 1.759 177.787 176.300 -0.455 0.000 1.135 489 R CA 0.982 56.849 56.100 -0.388 0.000 0.959 489 R CB 0.152 30.065 30.300 -0.645 0.000 0.854 489 R HN 0.270 nan 8.270 nan 0.000 0.431 490 H N -1.234 117.815 119.070 -0.034 0.000 2.586 490 H HA 0.218 4.812 4.556 0.063 0.000 0.273 490 H C 0.562 175.883 175.328 -0.012 0.000 0.997 490 H CA 0.359 56.380 56.048 -0.045 0.000 1.177 490 H CB 0.244 29.933 29.762 -0.123 0.000 1.471 490 H HN 0.215 nan 8.280 nan 0.000 0.538 491 G N 2.048 110.881 108.800 0.055 0.000 2.554 491 G HA2 0.233 4.230 3.960 0.062 0.000 0.238 491 G HA3 0.233 4.230 3.960 0.062 0.000 0.238 491 G C -0.287 174.673 174.900 0.100 0.000 1.259 491 G CA -0.119 45.022 45.100 0.069 0.000 0.843 491 G HN 0.358 nan 8.290 nan 0.000 0.582 492 D N -0.347 120.137 120.400 0.140 0.000 2.570 492 D HA 0.290 4.968 4.640 0.062 0.000 0.244 492 D C -0.827 175.515 176.300 0.069 0.000 1.178 492 D CA -0.871 53.186 54.000 0.095 0.000 0.881 492 D CB 0.783 41.633 40.800 0.085 0.000 1.453 492 D HN 0.213 nan 8.370 nan 0.000 0.447 493 D N 0.037 120.459 120.400 0.036 0.000 2.390 493 D HA 0.098 4.776 4.640 0.062 0.000 0.236 493 D C 0.561 176.868 176.300 0.012 0.000 1.189 493 D CA 0.147 54.160 54.000 0.022 0.000 0.887 493 D CB 0.598 41.405 40.800 0.012 0.000 1.198 493 D HN 0.399 nan 8.370 nan 0.000 0.444 494 R N 0.911 121.415 120.500 0.006 0.000 2.694 494 R HA 0.121 4.499 4.340 0.062 0.000 0.268 494 R C 0.819 177.106 176.300 -0.021 0.000 1.061 494 R CA 0.078 56.171 56.100 -0.011 0.000 1.133 494 R CB 0.714 31.007 30.300 -0.012 0.000 1.020 494 R HN 0.403 nan 8.270 nan 0.000 0.475 495 R N 0.894 121.371 120.500 -0.038 0.000 2.144 495 R HA 0.121 4.498 4.340 0.062 0.000 0.195 495 R C 0.106 176.399 176.300 -0.011 0.000 1.077 495 R CA 0.294 56.378 56.100 -0.026 0.000 1.120 495 R CB 0.057 30.335 30.300 -0.035 0.000 1.060 495 R HN 0.550 nan 8.270 nan 0.000 0.520 496 T N 3.143 117.683 114.554 -0.022 0.000 2.901 496 T HA 0.197 4.584 4.350 0.062 0.000 0.301 496 T C 0.026 174.722 174.700 -0.007 0.000 1.012 496 T CA 0.156 62.262 62.100 0.010 0.000 1.135 496 T CB 0.710 69.592 68.868 0.023 0.000 0.936 496 T HN 0.091 nan 8.240 nan 0.000 0.539 497 R N 2.614 123.118 120.500 0.007 0.000 2.393 497 R HA 0.515 4.892 4.340 0.062 0.000 0.310 497 R C -0.470 175.828 176.300 -0.003 0.000 0.968 497 R CA -0.721 55.379 56.100 -0.001 0.000 0.867 497 R CB 1.177 31.479 30.300 0.002 0.000 1.124 497 R HN 0.527 nan 8.270 nan 0.000 0.450 498 I N 4.339 124.903 120.570 -0.009 0.000 2.395 498 I HA 0.144 4.352 4.170 0.062 0.000 0.289 498 I C 0.692 176.802 176.117 -0.012 0.000 1.023 498 I CA -0.211 61.082 61.300 -0.012 0.000 1.350 498 I CB 0.494 38.484 38.000 -0.017 0.000 1.409 498 I HN 0.464 nan 8.210 nan 0.000 0.507 499 I N 0.000 120.560 120.570 -0.016 0.000 2.984 499 I HA 0.000 4.207 4.170 0.062 0.000 0.288 499 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 499 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 499 I HN 0.000 nan 8.210 nan 0.000 0.494