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 2hqs_1_F DATA FIRST_RESID 24 DATA SEQUENCE VRIVIDSGVD SGRPIGVVPF QWAGPGAAPE DIGGIVAADL RNSGKFNPLD DATA SEQUENCE RARLPQQPGS AQEVQPAAWS ALGIDAVVVG QVTPNPDGSY NVAYQLVDTG DATA SEQUENCE GAPGTVLAQN SYKVNKQWLR YAGHTASDEV FEKLTGIKGA FRTRIAYVVQ DATA SEQUENCE TNGGQFPYEL RVSDYDGYNQ FVVHRSPQPL MSPAWSPDGS KLAYVTFESG DATA SEQUENCE RSALVIQTLA NGAVRQVASF PRHNGAPAFS PDGSKLAFAL SKTGSLNLYV DATA SEQUENCE MDLASGQIRQ VTDGRSNNTE PTWFPDSQNL AFTSDQAGRP QVYKVNINGG DATA SEQUENCE APQRITWEGS QNQDADVSSD GKFMVMVSSN GGQQHIAKQD LATGGVQVLS DATA SEQUENCE STFLDETPSL APNGTMVIYS SSQGMGSVLN LVSTDGRFKA RLPATDGQVK DATA SEQUENCE FPAWSPYLXX XXXHH 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 175.929 176.094 -0.276 0.000 1.182 24 V CA 0.000 62.150 62.300 -0.250 0.000 1.235 24 V CB 0.000 31.596 31.823 -0.378 0.000 1.184 25 R N 1.144 121.498 120.500 -0.244 0.000 2.774 25 R HA 0.683 5.022 4.340 -0.000 0.000 0.272 25 R C -1.183 175.024 176.300 -0.155 0.000 1.000 25 R CA -0.793 55.166 56.100 -0.236 0.000 0.906 25 R CB 2.224 32.394 30.300 -0.217 0.000 1.227 25 R HN 0.917 nan 8.270 nan 0.000 0.468 26 I N 1.694 122.201 120.570 -0.104 0.000 2.416 26 I HA 0.192 4.362 4.170 -0.000 0.000 0.288 26 I C -0.045 176.070 176.117 -0.004 0.000 1.051 26 I CA -0.484 60.796 61.300 -0.033 0.000 1.375 26 I CB 1.110 39.134 38.000 0.040 0.000 1.407 26 I HN 0.011 nan 8.210 nan 0.000 0.516 27 V N 7.948 127.854 119.914 -0.013 0.000 2.407 27 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 27 V C 0.114 176.197 176.094 -0.018 0.000 1.018 27 V CA -0.534 61.759 62.300 -0.012 0.000 0.842 27 V CB 1.712 33.514 31.823 -0.036 0.000 0.996 27 V HN 0.467 nan 8.190 nan 0.000 0.426 28 I N 4.006 124.574 120.570 -0.004 0.000 2.395 28 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 28 I C 0.688 176.739 176.117 -0.110 0.000 1.023 28 I CA -0.080 61.174 61.300 -0.077 0.000 1.350 28 I CB 1.190 39.197 38.000 0.012 0.000 1.409 28 I HN 0.606 nan 8.210 nan 0.000 0.507 29 D N 2.968 123.256 120.400 -0.186 0.000 2.338 29 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 29 D C 0.364 176.589 176.300 -0.125 0.000 0.967 29 D CA 0.866 54.789 54.000 -0.129 0.000 0.896 29 D CB 0.531 41.264 40.800 -0.111 0.000 1.028 29 D HN 0.622 nan 8.370 nan 0.000 0.493 30 S N -2.763 112.816 115.700 -0.202 0.000 2.567 30 S HA 0.526 4.996 4.470 -0.000 0.000 0.270 30 S C 0.578 175.093 174.600 -0.141 0.000 1.152 30 S CA -0.120 58.006 58.200 -0.123 0.000 0.835 30 S CB 2.177 65.332 63.200 -0.075 0.000 1.115 30 S HN 0.246 nan 8.310 nan 0.000 0.459 31 G N -0.259 108.544 108.800 0.006 0.000 2.201 31 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.212 31 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.212 31 G C 0.686 175.726 174.900 0.233 0.000 0.994 31 G CA 0.151 45.324 45.100 0.123 0.000 0.644 31 G HN 1.291 nan 8.290 nan 0.000 0.508 32 V N 1.091 121.138 119.914 0.221 0.000 2.407 32 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 32 V C 2.388 178.581 176.094 0.166 0.000 1.055 32 V CA 2.691 65.144 62.300 0.254 0.000 1.049 32 V CB -0.300 31.656 31.823 0.221 0.000 0.662 32 V HN 0.466 nan 8.190 nan 0.000 0.455 33 D N -0.274 120.197 120.400 0.118 0.000 2.309 33 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 33 D C 2.190 178.532 176.300 0.071 0.000 0.968 33 D CA 0.999 55.050 54.000 0.085 0.000 0.882 33 D CB -0.017 40.821 40.800 0.064 0.000 0.918 33 D HN 0.355 nan 8.370 nan 0.000 0.503 34 S N -0.798 114.950 115.700 0.080 0.000 2.561 34 S HA 0.160 4.630 4.470 -0.000 0.000 0.225 34 S C 1.025 175.638 174.600 0.022 0.000 0.977 34 S CA 0.316 58.547 58.200 0.051 0.000 0.926 34 S CB 0.127 63.365 63.200 0.064 0.000 0.769 34 S HN 0.364 nan 8.310 nan 0.000 0.533 35 G N 0.903 109.727 108.800 0.041 0.000 2.537 35 G HA2 0.386 4.346 3.960 -0.000 0.000 0.273 35 G HA3 0.386 4.346 3.960 -0.000 0.000 0.273 35 G C -0.336 174.537 174.900 -0.046 0.000 1.189 35 G CA -0.718 44.369 45.100 -0.022 0.000 0.881 35 G HN 0.329 nan 8.290 nan 0.000 0.535 36 R N 1.354 121.749 120.500 -0.175 0.000 2.421 36 R HA 0.182 4.522 4.340 -0.000 0.000 0.305 36 R C -2.250 174.100 176.300 0.084 0.000 1.039 36 R CA -1.003 55.032 56.100 -0.108 0.000 1.003 36 R CB 0.292 30.410 30.300 -0.304 0.000 0.959 36 R HN 0.175 nan 8.270 nan 0.000 0.427 37 P HA 0.011 nan 4.420 nan 0.000 0.265 37 P C -0.787 176.635 177.300 0.203 0.000 1.193 37 P CA 0.354 63.547 63.100 0.155 0.000 0.765 37 P CB 0.558 32.334 31.700 0.127 0.000 0.823 38 I N 1.521 122.221 120.570 0.217 0.000 2.913 38 I HA 0.630 4.800 4.170 -0.000 0.000 0.302 38 I C -0.526 175.665 176.117 0.123 0.000 1.246 38 I CA -0.851 60.549 61.300 0.166 0.000 1.010 38 I CB 2.184 40.294 38.000 0.183 0.000 1.259 38 I HN 0.384 nan 8.210 nan 0.000 0.434 39 G N 5.394 114.194 108.800 -0.001 0.000 2.343 39 G HA2 0.595 4.555 3.960 -0.000 0.000 0.319 39 G HA3 0.595 4.555 3.960 -0.000 0.000 0.319 39 G C -1.456 173.361 174.900 -0.139 0.000 1.126 39 G CA -0.334 44.732 45.100 -0.056 0.000 0.889 39 G HN 0.389 nan 8.290 nan 0.000 0.457 40 V N 3.092 123.010 119.914 0.006 0.000 2.443 40 V HA 0.345 4.465 4.120 -0.000 0.000 0.293 40 V C -0.088 176.071 176.094 0.107 0.000 1.021 40 V CA -0.728 61.585 62.300 0.022 0.000 0.848 40 V CB 1.508 33.339 31.823 0.013 0.000 0.998 40 V HN 0.568 nan 8.190 nan 0.000 0.424 41 V N 6.732 126.727 119.914 0.136 0.000 2.539 41 V HA 0.414 4.534 4.120 -0.000 0.000 0.292 41 V C -2.165 174.091 176.094 0.270 0.000 1.045 41 V CA -2.200 60.218 62.300 0.196 0.000 0.945 41 V CB 1.814 33.735 31.823 0.163 0.000 0.993 41 V HN 0.699 nan 8.190 nan 0.000 0.464 42 P HA 0.038 nan 4.420 nan 0.000 0.264 42 P C -0.443 177.081 177.300 0.373 0.000 1.183 42 P CA 0.363 63.598 63.100 0.226 0.000 0.763 42 P CB 0.119 31.906 31.700 0.146 0.000 0.807 43 F N 1.226 121.209 119.950 0.056 0.000 2.429 43 F HA 0.075 4.602 4.527 -0.000 0.000 0.348 43 F C 1.739 177.611 175.800 0.120 0.000 1.109 43 F CA -0.780 57.269 58.000 0.080 0.000 1.232 43 F CB 0.506 39.553 39.000 0.078 0.000 1.157 43 F HN 0.194 nan 8.300 nan 0.000 0.564 44 Q N 3.287 123.230 119.800 0.239 0.000 2.315 44 Q HA -0.081 4.259 4.340 -0.000 0.000 0.289 44 Q C -0.656 175.542 176.000 0.330 0.000 1.044 44 Q CA 0.470 56.397 55.803 0.206 0.000 0.920 44 Q CB 1.130 29.927 28.738 0.099 0.000 1.214 44 Q HN 0.647 nan 8.270 nan 0.000 0.392 45 W N 2.108 123.464 121.300 0.094 0.000 2.471 45 W HA 0.521 5.181 4.660 -0.000 0.000 0.318 45 W C -1.155 175.412 176.519 0.080 0.000 1.034 45 W CA -0.963 56.439 57.345 0.095 0.000 1.224 45 W CB 1.055 30.565 29.460 0.083 0.000 1.335 45 W HN 0.652 nan 8.180 nan 0.000 0.452 46 A N 5.219 127.747 122.820 -0.487 0.000 3.091 46 A HA 0.574 4.894 4.320 -0.000 0.000 0.264 46 A C 0.187 177.078 177.584 -1.155 0.000 1.673 46 A CA 0.463 52.123 52.037 -0.628 0.000 1.362 46 A CB -0.780 18.035 19.000 -0.309 0.000 1.137 46 A HN 0.849 nan 8.150 nan 0.000 0.617 47 G N 0.625 108.590 108.800 -1.392 0.000 2.495 47 G HA2 0.591 4.551 3.960 -0.000 0.000 0.294 47 G HA3 0.591 4.551 3.960 -0.000 0.000 0.294 47 G C -3.423 171.264 174.900 -0.356 0.000 1.397 47 G CA -0.737 43.812 45.100 -0.918 0.000 0.790 47 G HN 0.168 nan 8.290 nan 0.000 0.486 48 P HA 0.494 nan 4.420 nan 0.000 0.274 48 P C 1.048 178.559 177.300 0.352 0.000 1.231 48 P CA 1.270 64.455 63.100 0.142 0.000 0.790 48 P CB 1.103 32.866 31.700 0.105 0.000 0.951 49 G N 1.081 110.036 108.800 0.258 0.000 2.574 49 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.286 49 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.286 49 G C -0.249 174.836 174.900 0.309 0.000 1.212 49 G CA 0.137 45.378 45.100 0.236 0.000 0.979 49 G HN 0.858 nan 8.290 nan 0.000 0.557 50 A N -0.611 122.269 122.820 0.101 0.000 2.337 50 A HA 1.021 5.341 4.320 -0.000 0.000 0.331 50 A C 0.675 177.843 177.584 -0.694 0.000 1.137 50 A CA 0.857 52.799 52.037 -0.159 0.000 0.807 50 A CB 1.203 20.130 19.000 -0.122 0.000 1.250 50 A HN 2.576 nan 8.150 nan 0.000 0.468 51 A N 1.369 123.458 122.820 -1.218 0.000 2.429 51 A HA 0.481 4.801 4.320 -0.000 0.000 0.242 51 A C -1.428 175.695 177.584 -0.768 0.000 1.088 51 A CA -0.509 50.624 52.037 -1.507 0.000 0.784 51 A CB -0.665 17.710 19.000 -1.040 0.000 1.038 51 A HN 0.583 nan 8.150 nan 0.000 0.501 52 P HA 0.039 nan 4.420 nan 0.000 0.226 52 P C 0.065 177.161 177.300 -0.341 0.000 1.153 52 P CA 1.305 64.154 63.100 -0.417 0.000 0.777 52 P CB 0.318 31.773 31.700 -0.409 0.000 0.794 53 E N -0.782 119.181 120.200 -0.395 0.000 2.356 53 E HA 0.256 4.606 4.350 -0.000 0.000 0.275 53 E C -1.506 174.909 176.600 -0.309 0.000 0.904 53 E CA -0.836 55.379 56.400 -0.309 0.000 0.757 53 E CB 0.800 30.322 29.700 -0.297 0.000 1.232 53 E HN -0.326 nan 8.360 nan 0.000 0.442 54 D N 4.872 125.111 120.400 -0.269 0.000 2.522 54 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 54 D C 0.908 177.006 176.300 -0.336 0.000 1.149 54 D CA -0.191 53.659 54.000 -0.250 0.000 0.981 54 D CB 0.103 40.794 40.800 -0.182 0.000 1.041 54 D HN 0.395 nan 8.370 nan 0.000 0.518 55 I N 2.136 122.445 120.570 -0.435 0.000 2.226 55 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 55 I C 2.341 177.957 176.117 -0.834 0.000 1.100 55 I CA 0.914 61.826 61.300 -0.646 0.000 1.374 55 I CB -1.300 36.249 38.000 -0.750 0.000 1.057 55 I HN 0.408 nan 8.210 nan 0.000 0.413 56 G N 0.818 109.094 108.800 -0.874 0.000 2.440 56 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 56 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 56 G C 1.750 176.493 174.900 -0.261 0.000 1.154 56 G CA 0.903 45.713 45.100 -0.484 0.000 0.767 56 G HN 0.482 nan 8.290 nan 0.000 0.552 57 G N 0.867 109.529 108.800 -0.229 0.000 2.408 57 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 57 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 57 G C 1.758 176.543 174.900 -0.191 0.000 1.150 57 G CA 0.727 45.732 45.100 -0.158 0.000 0.776 57 G HN 0.453 nan 8.290 nan 0.000 0.542 58 I N 0.366 120.768 120.570 -0.281 0.000 2.226 58 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 58 I C 2.754 178.711 176.117 -0.267 0.000 1.100 58 I CA 0.492 61.615 61.300 -0.296 0.000 1.374 58 I CB -0.260 37.484 38.000 -0.426 0.000 1.057 58 I HN 0.020 nan 8.210 nan 0.000 0.413 59 V N 1.109 120.841 119.914 -0.302 0.000 2.295 59 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 59 V C 2.736 178.687 176.094 -0.238 0.000 1.049 59 V CA 2.053 64.181 62.300 -0.286 0.000 1.024 59 V CB -1.057 30.626 31.823 -0.234 0.000 0.648 59 V HN 0.496 nan 8.190 nan 0.000 0.447 60 A N -0.012 122.714 122.820 -0.156 0.000 1.902 60 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 60 A C 2.436 179.984 177.584 -0.059 0.000 1.181 60 A CA 2.187 54.174 52.037 -0.083 0.000 0.623 60 A CB -0.838 18.145 19.000 -0.029 0.000 0.818 60 A HN 0.573 nan 8.150 nan 0.000 0.443 61 A N 0.018 122.799 122.820 -0.065 0.000 1.877 61 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 61 A C 1.811 179.391 177.584 -0.006 0.000 1.186 61 A CA 1.967 54.002 52.037 -0.003 0.000 0.620 61 A CB -0.677 18.324 19.000 0.001 0.000 0.822 61 A HN 0.459 nan 8.150 nan 0.000 0.443 62 D N 0.172 120.477 120.400 -0.158 0.000 2.092 62 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 62 D C 1.971 178.026 176.300 -0.408 0.000 0.994 62 D CA 1.290 55.017 54.000 -0.454 0.000 0.828 62 D CB -0.440 39.688 40.800 -1.120 0.000 0.963 62 D HN 0.444 nan 8.370 nan 0.000 0.450 63 L N 0.192 121.225 121.223 -0.316 0.000 2.083 63 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 63 L C 2.647 179.662 176.870 0.241 0.000 1.083 63 L CA 0.918 55.751 54.840 -0.011 0.000 0.752 63 L CB -0.323 41.585 42.059 -0.251 0.000 0.899 63 L HN -0.004 nan 8.230 nan 0.000 0.433 64 R N 0.391 120.984 120.500 0.156 0.000 2.075 64 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 64 R C 2.021 178.440 176.300 0.199 0.000 1.126 64 R CA 1.436 57.664 56.100 0.213 0.000 0.963 64 R CB -0.061 30.353 30.300 0.191 0.000 0.858 64 R HN 0.371 nan 8.270 nan 0.000 0.435 65 N N 0.385 119.213 118.700 0.213 0.000 2.364 65 N HA -0.139 4.600 4.740 -0.000 0.000 0.183 65 N C 1.625 177.118 175.510 -0.028 0.000 1.022 65 N CA 1.579 54.781 53.050 0.253 0.000 0.883 65 N CB -0.179 38.569 38.487 0.436 0.000 0.965 65 N HN 0.329 nan 8.380 nan 0.000 0.438 66 S N -0.840 114.902 115.700 0.070 0.000 2.481 66 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 66 S C 1.642 176.074 174.600 -0.280 0.000 0.996 66 S CA 0.944 59.160 58.200 0.027 0.000 0.942 66 S CB -0.202 63.252 63.200 0.423 0.000 0.768 66 S HN 0.423 nan 8.310 nan 0.000 0.520 67 G N 1.486 109.924 108.800 -0.603 0.000 2.184 67 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 67 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 67 G C 0.802 175.649 174.900 -0.089 0.000 0.975 67 G CA 0.652 45.430 45.100 -0.537 0.000 0.642 67 G HN 0.576 nan 8.290 nan 0.000 0.536 68 K N -1.106 119.303 120.400 0.015 0.000 2.353 68 K HA 0.410 4.729 4.320 -0.000 0.000 0.195 68 K C -0.109 176.190 176.600 -0.502 0.000 1.031 68 K CA 0.221 56.402 56.287 -0.176 0.000 1.079 68 K CB 0.537 32.942 32.500 -0.158 0.000 0.857 68 K HN 0.349 nan 8.250 nan 0.000 0.535 69 F N 0.074 120.076 119.950 0.086 0.000 2.599 69 F HA 0.287 4.814 4.527 -0.000 0.000 0.311 69 F C -0.127 175.730 175.800 0.095 0.000 1.076 69 F CA -1.340 56.711 58.000 0.084 0.000 0.937 69 F CB 1.383 40.442 39.000 0.098 0.000 1.282 69 F HN -0.237 nan 8.300 nan 0.000 0.460 70 N N 2.723 121.591 118.700 0.279 0.000 2.804 70 N HA 0.418 5.158 4.740 -0.000 0.000 0.251 70 N C -3.151 172.478 175.510 0.199 0.000 1.250 70 N CA -2.383 50.791 53.050 0.206 0.000 0.820 70 N CB 0.955 39.531 38.487 0.148 0.000 1.156 70 N HN 0.052 nan 8.380 nan 0.000 0.512 71 P HA 0.064 nan 4.420 nan 0.000 0.271 71 P C -0.141 177.247 177.300 0.145 0.000 1.216 71 P CA -0.531 62.659 63.100 0.150 0.000 0.771 71 P CB 0.626 32.388 31.700 0.103 0.000 0.864 72 L N 3.977 125.302 121.223 0.170 0.000 2.490 72 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 72 L C 0.242 177.194 176.870 0.137 0.000 1.201 72 L CA 0.488 55.428 54.840 0.167 0.000 0.869 72 L CB -0.489 41.711 42.059 0.235 0.000 1.123 72 L HN 0.328 nan 8.230 nan 0.000 0.484 73 D N 4.159 124.621 120.400 0.104 0.000 2.533 73 D HA -0.075 4.565 4.640 -0.000 0.000 0.236 73 D C 1.110 177.462 176.300 0.086 0.000 1.137 73 D CA 0.257 54.307 54.000 0.083 0.000 0.867 73 D CB 0.613 41.450 40.800 0.062 0.000 1.170 73 D HN 0.545 nan 8.370 nan 0.000 0.474 74 R N 2.827 123.375 120.500 0.080 0.000 2.127 74 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 74 R C 1.674 178.016 176.300 0.069 0.000 1.134 74 R CA 1.588 57.739 56.100 0.086 0.000 0.975 74 R CB -0.035 30.306 30.300 0.068 0.000 0.865 74 R HN 0.486 nan 8.270 nan 0.000 0.447 75 A N 0.539 123.390 122.820 0.051 0.000 2.121 75 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 75 A C 1.728 179.327 177.584 0.024 0.000 1.154 75 A CA 1.009 53.067 52.037 0.035 0.000 0.679 75 A CB -0.146 18.871 19.000 0.028 0.000 0.795 75 A HN 0.346 nan 8.150 nan 0.000 0.458 76 R N -0.785 119.733 120.500 0.029 0.000 2.432 76 R HA 0.314 4.654 4.340 -0.000 0.000 0.260 76 R C -0.521 175.759 176.300 -0.034 0.000 0.935 76 R CA -0.344 55.757 56.100 0.003 0.000 1.080 76 R CB 0.063 30.372 30.300 0.015 0.000 1.155 76 R HN 0.380 nan 8.270 nan 0.000 0.531 77 L N 3.348 124.568 121.223 -0.005 0.000 2.540 77 L HA 0.044 4.384 4.340 -0.000 0.000 0.276 77 L C -0.991 175.751 176.870 -0.213 0.000 1.212 77 L CA -0.941 53.858 54.840 -0.069 0.000 0.893 77 L CB 0.276 42.408 42.059 0.120 0.000 1.138 77 L HN -0.089 nan 8.230 nan 0.000 0.491 78 P HA -0.095 nan 4.420 nan 0.000 0.229 78 P C -0.349 176.792 177.300 -0.266 0.000 1.160 78 P CA 0.924 63.776 63.100 -0.415 0.000 0.777 78 P CB 0.419 31.729 31.700 -0.649 0.000 0.814 79 Q N -2.382 117.299 119.800 -0.199 0.000 2.633 79 Q HA 0.406 4.746 4.340 -0.000 0.000 0.289 79 Q C -1.080 175.014 176.000 0.156 0.000 0.940 79 Q CA -0.868 54.938 55.803 0.005 0.000 0.785 79 Q CB 0.740 29.504 28.738 0.045 0.000 1.467 79 Q HN -0.212 nan 8.270 nan 0.000 0.401 80 Q N 1.203 121.092 119.800 0.148 0.000 2.851 80 Q HA 0.320 4.660 4.340 -0.000 0.000 0.331 80 Q C -2.276 173.815 176.000 0.151 0.000 0.979 80 Q CA -1.662 54.246 55.803 0.174 0.000 0.955 80 Q CB 1.223 30.037 28.738 0.127 0.000 1.298 80 Q HN 0.469 nan 8.270 nan 0.000 0.432 81 P HA 0.046 nan 4.420 nan 0.000 0.271 81 P C 0.458 177.796 177.300 0.063 0.000 1.216 81 P CA 0.134 63.302 63.100 0.113 0.000 0.776 81 P CB 1.225 33.003 31.700 0.129 0.000 0.881 82 G N 0.646 109.466 108.800 0.034 0.000 3.233 82 G HA2 0.270 4.230 3.960 -0.000 0.000 0.234 82 G HA3 0.270 4.230 3.960 -0.000 0.000 0.234 82 G C 0.114 174.986 174.900 -0.046 0.000 1.137 82 G CA 0.080 45.182 45.100 0.004 0.000 0.763 82 G HN 0.744 nan 8.290 nan 0.000 0.549 83 S N -2.469 113.204 115.700 -0.045 0.000 2.588 83 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 83 S C 0.909 175.473 174.600 -0.060 0.000 1.157 83 S CA 0.229 58.387 58.200 -0.069 0.000 0.824 83 S CB 1.234 64.404 63.200 -0.050 0.000 1.126 83 S HN 0.541 nan 8.310 nan 0.000 0.464 84 A N 0.878 123.652 122.820 -0.077 0.000 1.908 84 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 84 A C 2.041 179.605 177.584 -0.033 0.000 1.181 84 A CA 1.859 53.857 52.037 -0.066 0.000 0.627 84 A CB -1.194 17.760 19.000 -0.077 0.000 0.818 84 A HN 0.858 nan 8.150 nan 0.000 0.445 85 Q N -0.717 119.066 119.800 -0.028 0.000 2.226 85 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 85 Q C 1.585 177.590 176.000 0.009 0.000 0.975 85 Q CA 1.465 57.262 55.803 -0.010 0.000 0.866 85 Q CB -0.097 28.632 28.738 -0.014 0.000 0.915 85 Q HN 0.771 nan 8.270 nan 0.000 0.440 86 E N -0.173 120.036 120.200 0.014 0.000 2.442 86 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 86 E C -0.119 176.527 176.600 0.077 0.000 1.030 86 E CA -0.158 56.265 56.400 0.039 0.000 0.869 86 E CB 0.548 30.271 29.700 0.038 0.000 0.857 86 E HN 0.038 nan 8.360 nan 0.000 0.505 87 V N 2.540 122.496 119.914 0.070 0.000 2.599 87 V HA -0.087 4.033 4.120 -0.000 0.000 0.300 87 V C 0.311 176.495 176.094 0.149 0.000 1.034 87 V CA 0.714 63.090 62.300 0.127 0.000 1.115 87 V CB 0.747 32.588 31.823 0.029 0.000 0.934 87 V HN 0.176 nan 8.190 nan 0.000 0.485 88 Q N 6.481 126.425 119.800 0.239 0.000 2.466 88 Q HA 0.240 4.580 4.340 -0.000 0.000 0.242 88 Q C -1.771 174.391 176.000 0.269 0.000 1.046 88 Q CA -1.740 54.173 55.803 0.183 0.000 0.841 88 Q CB 1.438 30.249 28.738 0.122 0.000 1.193 88 Q HN 0.520 nan 8.270 nan 0.000 0.508 89 P HA -0.238 nan 4.420 nan 0.000 0.216 89 P C 0.983 178.415 177.300 0.221 0.000 1.150 89 P CA 1.319 64.554 63.100 0.225 0.000 0.843 89 P CB 0.302 32.072 31.700 0.116 0.000 0.787 90 A N -0.193 122.707 122.820 0.134 0.000 2.019 90 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 90 A C 2.261 179.876 177.584 0.052 0.000 1.164 90 A CA 1.786 53.873 52.037 0.084 0.000 0.644 90 A CB -1.435 17.593 19.000 0.048 0.000 0.805 90 A HN 0.213 nan 8.150 nan 0.000 0.449 91 A N -1.550 121.283 122.820 0.022 0.000 2.015 91 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 91 A C 1.848 179.270 177.584 -0.271 0.000 1.163 91 A CA 1.205 53.139 52.037 -0.172 0.000 0.646 91 A CB -0.624 18.194 19.000 -0.303 0.000 0.806 91 A HN 0.755 nan 8.150 nan 0.000 0.448 92 W N 0.194 121.510 121.300 0.025 0.000 2.574 92 W HA 0.008 4.668 4.660 -0.000 0.000 0.282 92 W C 2.791 179.328 176.519 0.030 0.000 1.197 92 W CA 0.957 58.321 57.345 0.030 0.000 1.376 92 W CB -0.453 29.028 29.460 0.034 0.000 1.091 92 W HN 0.359 nan 8.180 nan 0.000 0.569 93 S N 0.675 116.517 115.700 0.237 0.000 2.399 93 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 93 S C 1.904 176.556 174.600 0.087 0.000 1.022 93 S CA 1.120 59.405 58.200 0.142 0.000 0.983 93 S CB -0.934 62.332 63.200 0.110 0.000 0.803 93 S HN 0.132 nan 8.310 nan 0.000 0.480 94 A N 1.062 123.916 122.820 0.056 0.000 2.178 94 A HA 0.292 4.612 4.320 -0.000 0.000 0.218 94 A C 1.906 179.499 177.584 0.015 0.000 1.157 94 A CA 0.834 52.883 52.037 0.019 0.000 0.689 94 A CB -0.565 18.428 19.000 -0.012 0.000 0.787 94 A HN 0.600 nan 8.150 nan 0.000 0.465 95 L N -1.853 119.391 121.223 0.035 0.000 2.808 95 L HA 0.308 4.648 4.340 -0.000 0.000 0.246 95 L C 1.393 178.311 176.870 0.079 0.000 1.153 95 L CA 0.397 55.263 54.840 0.042 0.000 0.956 95 L CB 0.207 42.281 42.059 0.024 0.000 1.270 95 L HN 0.476 nan 8.230 nan 0.000 0.528 96 G N 1.288 110.140 108.800 0.087 0.000 2.137 96 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 96 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 96 G C 0.019 174.989 174.900 0.116 0.000 1.002 96 G CA -0.117 45.036 45.100 0.088 0.000 0.702 96 G HN 0.294 nan 8.290 nan 0.000 0.515 97 I N 1.129 121.799 120.570 0.166 0.000 2.378 97 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 97 I C 0.656 176.872 176.117 0.165 0.000 0.992 97 I CA -0.517 60.901 61.300 0.195 0.000 1.154 97 I CB 1.590 39.782 38.000 0.321 0.000 1.315 97 I HN 0.199 nan 8.210 nan 0.000 0.448 98 D N 4.529 124.996 120.400 0.112 0.000 2.398 98 D HA 0.298 4.938 4.640 -0.000 0.000 0.210 98 D C 0.019 176.344 176.300 0.041 0.000 1.094 98 D CA -0.084 53.963 54.000 0.078 0.000 0.839 98 D CB 0.732 41.569 40.800 0.063 0.000 0.963 98 D HN 0.380 nan 8.370 nan 0.000 0.506 99 A N -0.303 122.527 122.820 0.017 0.000 2.549 99 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 99 A C -1.542 175.935 177.584 -0.179 0.000 1.061 99 A CA -0.715 51.290 52.037 -0.053 0.000 0.690 99 A CB 1.998 21.000 19.000 0.002 0.000 1.287 99 A HN 0.039 nan 8.150 nan 0.000 0.402 100 V N 1.406 121.144 119.914 -0.294 0.000 2.638 100 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 100 V C -0.534 175.396 176.094 -0.274 0.000 1.052 100 V CA -0.635 61.370 62.300 -0.491 0.000 0.885 100 V CB 1.843 33.075 31.823 -0.986 0.000 0.999 100 V HN 0.740 nan 8.190 nan 0.000 0.424 101 V N 5.451 125.246 119.914 -0.199 0.000 2.370 101 V HA 0.628 4.748 4.120 -0.000 0.000 0.279 101 V C 0.057 176.119 176.094 -0.053 0.000 1.029 101 V CA -0.364 61.903 62.300 -0.055 0.000 0.870 101 V CB 1.514 33.354 31.823 0.028 0.000 0.984 101 V HN 0.766 nan 8.190 nan 0.000 0.451 102 V N 2.203 122.048 119.914 -0.114 0.000 3.113 102 V HA 1.162 5.282 4.120 -0.000 0.000 0.316 102 V C 0.136 175.857 176.094 -0.621 0.000 1.125 102 V CA -0.193 61.966 62.300 -0.234 0.000 1.026 102 V CB 1.759 33.480 31.823 -0.170 0.000 1.080 102 V HN 1.127 nan 8.190 nan 0.000 0.444 103 G N 0.773 108.996 108.800 -0.962 0.000 2.441 103 G HA2 0.629 4.589 3.960 -0.000 0.000 0.294 103 G HA3 0.629 4.589 3.960 -0.000 0.000 0.294 103 G C -2.238 172.245 174.900 -0.695 0.000 1.393 103 G CA -0.763 43.525 45.100 -1.353 0.000 0.796 103 G HN 0.890 nan 8.290 nan 0.000 0.494 104 Q N -1.120 118.506 119.800 -0.289 0.000 2.359 104 Q HA 0.668 5.007 4.340 -0.000 0.000 0.274 104 Q C -0.859 175.302 176.000 0.268 0.000 1.074 104 Q CA -0.732 55.107 55.803 0.060 0.000 0.810 104 Q CB 3.024 31.770 28.738 0.012 0.000 1.342 104 Q HN 0.525 nan 8.270 nan 0.000 0.427 105 V N 1.470 121.610 119.914 0.376 0.000 2.448 105 V HA 0.858 4.978 4.120 -0.000 0.000 0.295 105 V C -0.527 175.878 176.094 0.518 0.000 1.025 105 V CA -0.599 61.977 62.300 0.459 0.000 0.859 105 V CB 1.752 33.847 31.823 0.454 0.000 0.988 105 V HN 0.937 nan 8.190 nan 0.000 0.431 106 T N 3.115 117.937 114.554 0.448 0.000 2.912 106 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 106 T C -3.193 171.726 174.700 0.365 0.000 1.052 106 T CA -2.211 60.066 62.100 0.294 0.000 0.996 106 T CB 2.742 71.681 68.868 0.119 0.000 1.070 106 T HN 0.447 nan 8.240 nan 0.000 0.465 107 P HA 0.429 nan 4.420 nan 0.000 0.288 107 P C -0.979 176.297 177.300 -0.040 0.000 1.267 107 P CA -0.655 62.481 63.100 0.060 0.000 0.815 107 P CB 0.873 32.623 31.700 0.082 0.000 0.989 108 N N 2.874 121.504 118.700 -0.117 0.000 2.466 108 N HA 0.277 5.017 4.740 -0.000 0.000 0.294 108 N C -1.652 173.810 175.510 -0.079 0.000 1.129 108 N CA -1.891 51.117 53.050 -0.069 0.000 0.931 108 N CB 0.488 38.949 38.487 -0.044 0.000 1.193 108 N HN 0.244 nan 8.380 nan 0.000 0.500 109 P HA -0.081 nan 4.420 nan 0.000 0.225 109 P C 0.410 177.691 177.300 -0.033 0.000 1.148 109 P CA 1.015 64.094 63.100 -0.035 0.000 0.779 109 P CB 0.178 31.864 31.700 -0.022 0.000 0.780 110 D N -1.506 118.874 120.400 -0.034 0.000 2.349 110 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 110 D C 1.453 177.735 176.300 -0.030 0.000 1.029 110 D CA 0.624 54.611 54.000 -0.022 0.000 0.879 110 D CB -0.808 39.986 40.800 -0.009 0.000 0.906 110 D HN 0.235 nan 8.370 nan 0.000 0.528 111 G N -0.025 108.731 108.800 -0.074 0.000 2.195 111 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 111 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 111 G C 0.482 175.269 174.900 -0.189 0.000 0.984 111 G CA 0.442 45.480 45.100 -0.104 0.000 0.633 111 G HN 0.825 nan 8.290 nan 0.000 0.525 112 S N -0.634 114.981 115.700 -0.142 0.000 2.661 112 S HA 0.790 5.260 4.470 -0.000 0.000 0.265 112 S C -0.174 174.247 174.600 -0.298 0.000 1.225 112 S CA -0.324 57.828 58.200 -0.080 0.000 0.986 112 S CB 1.351 64.579 63.200 0.047 0.000 1.008 112 S HN 0.582 nan 8.310 nan 0.000 0.565 113 Y N -0.564 119.830 120.300 0.155 0.000 2.570 113 Y HA 0.493 5.043 4.550 -0.000 0.000 0.345 113 Y C 0.066 176.073 175.900 0.179 0.000 1.014 113 Y CA -1.126 57.085 58.100 0.184 0.000 1.063 113 Y CB 1.760 40.337 38.460 0.196 0.000 1.272 113 Y HN 0.629 nan 8.280 nan 0.000 0.477 114 N N 1.060 119.966 118.700 0.343 0.000 2.400 114 N HA 0.516 5.256 4.740 -0.000 0.000 0.288 114 N C -1.576 174.114 175.510 0.300 0.000 1.024 114 N CA -0.489 52.719 53.050 0.263 0.000 0.894 114 N CB 2.506 41.092 38.487 0.164 0.000 1.173 114 N HN 0.252 nan 8.380 nan 0.000 0.487 115 V N 1.035 121.128 119.914 0.298 0.000 2.407 115 V HA 0.682 4.802 4.120 -0.000 0.000 0.291 115 V C -0.289 175.952 176.094 0.246 0.000 1.018 115 V CA -0.750 61.757 62.300 0.345 0.000 0.842 115 V CB 1.182 33.255 31.823 0.417 0.000 0.996 115 V HN 0.824 nan 8.190 nan 0.000 0.426 116 A N 5.103 128.031 122.820 0.180 0.000 2.374 116 A HA 0.993 5.313 4.320 -0.000 0.000 0.317 116 A C -1.238 176.349 177.584 0.005 0.000 1.094 116 A CA -0.576 51.455 52.037 -0.011 0.000 0.765 116 A CB 1.659 20.595 19.000 -0.106 0.000 1.268 116 A HN 1.173 nan 8.150 nan 0.000 0.438 117 Y N -0.459 119.769 120.300 -0.120 0.000 2.576 117 Y HA 0.821 5.371 4.550 -0.000 0.000 0.346 117 Y C -0.887 174.913 175.900 -0.165 0.000 1.018 117 Y CA -1.173 56.810 58.100 -0.195 0.000 1.050 117 Y CB 1.412 39.910 38.460 0.064 0.000 1.280 117 Y HN 0.563 nan 8.280 nan 0.000 0.474 118 Q N 2.452 122.115 119.800 -0.228 0.000 2.331 118 Q HA 0.535 4.875 4.340 -0.000 0.000 0.272 118 Q C -2.012 174.006 176.000 0.029 0.000 1.062 118 Q CA -0.768 54.897 55.803 -0.229 0.000 0.806 118 Q CB 2.994 31.606 28.738 -0.211 0.000 1.312 118 Q HN 0.809 nan 8.270 nan 0.000 0.431 119 L N 2.433 123.701 121.223 0.074 0.000 2.280 119 L HA 0.678 5.018 4.340 -0.000 0.000 0.287 119 L C -1.535 175.328 176.870 -0.011 0.000 1.023 119 L CA -0.565 54.322 54.840 0.078 0.000 0.819 119 L CB 1.328 43.485 42.059 0.163 0.000 1.212 119 L HN 0.516 nan 8.230 nan 0.000 0.420 120 V N 4.629 124.505 119.914 -0.063 0.000 2.417 120 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 120 V C -0.087 175.964 176.094 -0.072 0.000 1.024 120 V CA -0.834 61.422 62.300 -0.074 0.000 0.861 120 V CB 1.484 33.246 31.823 -0.103 0.000 0.985 120 V HN 0.733 nan 8.190 nan 0.000 0.436 121 D N 3.417 123.796 120.400 -0.035 0.000 2.389 121 D HA 0.135 4.775 4.640 -0.000 0.000 0.247 121 D C 0.460 176.755 176.300 -0.010 0.000 1.128 121 D CA 0.228 54.219 54.000 -0.015 0.000 0.884 121 D CB 1.775 42.576 40.800 0.002 0.000 1.194 121 D HN 0.782 nan 8.370 nan 0.000 0.441 122 T N 0.529 115.088 114.554 0.009 0.000 3.571 122 T HA 0.503 4.853 4.350 -0.000 0.000 0.292 122 T C 0.497 175.240 174.700 0.072 0.000 0.994 122 T CA -0.263 61.869 62.100 0.053 0.000 0.996 122 T CB 0.498 69.417 68.868 0.085 0.000 1.185 122 T HN 0.347 nan 8.240 nan 0.000 0.482 123 G N 1.055 109.884 108.800 0.050 0.000 2.825 123 G HA2 0.524 4.483 3.960 -0.000 0.000 0.191 123 G HA3 0.524 4.483 3.960 -0.000 0.000 0.191 123 G C 1.163 176.085 174.900 0.036 0.000 1.708 123 G CA 0.183 45.312 45.100 0.048 0.000 0.813 123 G HN 0.316 nan 8.290 nan 0.000 0.799 124 G N 0.104 108.921 108.800 0.028 0.000 2.572 124 G HA2 0.373 4.332 3.960 -0.000 0.000 0.216 124 G HA3 0.373 4.332 3.960 -0.000 0.000 0.216 124 G C 0.738 175.649 174.900 0.018 0.000 1.133 124 G CA 1.571 46.684 45.100 0.021 0.000 0.791 124 G HN 1.245 nan 8.290 nan 0.000 0.538 125 A N 0.933 123.764 122.820 0.018 0.000 3.355 125 A HA 0.615 4.935 4.320 -0.000 0.000 0.290 125 A C -2.692 174.901 177.584 0.015 0.000 0.973 125 A CA -1.067 50.979 52.037 0.014 0.000 0.933 125 A CB 0.907 19.913 19.000 0.010 0.000 1.138 125 A HN 0.107 nan 8.150 nan 0.000 0.490 126 P HA 0.239 nan 4.420 nan 0.000 0.267 126 P C 1.084 178.396 177.300 0.021 0.000 1.205 126 P CA 1.979 65.096 63.100 0.029 0.000 0.765 126 P CB 0.981 32.705 31.700 0.040 0.000 0.828 127 G N 2.179 110.988 108.800 0.015 0.000 2.225 127 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 127 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 127 G C 0.281 175.177 174.900 -0.006 0.000 0.988 127 G CA 0.100 45.204 45.100 0.007 0.000 0.625 127 G HN 0.613 nan 8.290 nan 0.000 0.527 128 T N 1.349 115.900 114.554 -0.005 0.000 2.901 128 T HA 0.448 4.798 4.350 -0.000 0.000 0.301 128 T C 0.624 175.312 174.700 -0.019 0.000 1.012 128 T CA -0.011 62.082 62.100 -0.011 0.000 1.135 128 T CB 2.144 71.010 68.868 -0.004 0.000 0.936 128 T HN 0.434 nan 8.240 nan 0.000 0.539 129 V N 5.786 125.683 119.914 -0.027 0.000 2.408 129 V HA 0.137 4.257 4.120 -0.000 0.000 0.267 129 V C 1.232 177.312 176.094 -0.024 0.000 1.047 129 V CA -0.003 62.275 62.300 -0.038 0.000 0.937 129 V CB 0.576 32.363 31.823 -0.059 0.000 0.999 129 V HN 0.824 nan 8.190 nan 0.000 0.472 130 L N 4.046 125.264 121.223 -0.008 0.000 2.307 130 L HA 0.437 4.777 4.340 -0.000 0.000 0.211 130 L C 0.929 177.814 176.870 0.025 0.000 1.099 130 L CA 0.904 55.751 54.840 0.011 0.000 0.816 130 L CB 0.031 42.105 42.059 0.025 0.000 0.952 130 L HN 0.760 nan 8.230 nan 0.000 0.455 131 A N 0.129 122.966 122.820 0.028 0.000 2.594 131 A HA 0.671 4.990 4.320 -0.000 0.000 0.296 131 A C -1.713 175.808 177.584 -0.106 0.000 1.061 131 A CA -0.514 51.550 52.037 0.045 0.000 0.689 131 A CB 1.584 20.701 19.000 0.194 0.000 1.280 131 A HN 0.091 nan 8.150 nan 0.000 0.406 132 Q N 1.175 120.810 119.800 -0.276 0.000 2.472 132 Q HA 0.807 5.147 4.340 -0.000 0.000 0.281 132 Q C -1.289 174.348 176.000 -0.606 0.000 0.997 132 Q CA -0.628 54.752 55.803 -0.704 0.000 0.828 132 Q CB 1.482 29.960 28.738 -0.434 0.000 1.443 132 Q HN 0.656 nan 8.270 nan 0.000 0.390 133 N N -0.389 117.805 118.700 -0.843 0.000 3.020 133 N HA 0.759 5.499 4.740 -0.000 0.000 0.248 133 N C -1.843 173.322 175.510 -0.576 0.000 1.480 133 N CA 0.040 52.801 53.050 -0.481 0.000 0.874 133 N CB 2.313 40.671 38.487 -0.215 0.000 1.433 133 N HN 0.931 nan 8.380 nan 0.000 0.530 134 S N -0.014 115.328 115.700 -0.596 0.000 2.540 134 S HA 0.747 5.217 4.470 -0.000 0.000 0.275 134 S C -1.714 172.563 174.600 -0.538 0.000 1.123 134 S CA -0.700 57.191 58.200 -0.516 0.000 0.907 134 S CB 1.210 64.282 63.200 -0.213 0.000 1.081 134 S HN 0.435 nan 8.310 nan 0.000 0.476 135 Y N 0.291 120.674 120.300 0.138 0.000 2.462 135 Y HA 0.617 5.167 4.550 -0.000 0.000 0.346 135 Y C -0.023 175.968 175.900 0.152 0.000 0.976 135 Y CA -1.023 57.165 58.100 0.147 0.000 1.044 135 Y CB 1.906 40.476 38.460 0.183 0.000 1.230 135 Y HN 0.741 nan 8.280 nan 0.000 0.455 136 K N 3.406 123.971 120.400 0.276 0.000 2.263 136 K HA 0.677 4.997 4.320 -0.000 0.000 0.272 136 K C -1.391 175.343 176.600 0.223 0.000 1.033 136 K CA -0.614 55.802 56.287 0.215 0.000 0.884 136 K CB 0.840 33.422 32.500 0.135 0.000 1.107 136 K HN 0.614 nan 8.250 nan 0.000 0.460 137 V N 0.981 121.053 119.914 0.264 0.000 2.876 137 V HA 0.496 4.616 4.120 -0.000 0.000 0.312 137 V C -0.634 175.640 176.094 0.298 0.000 1.085 137 V CA -1.282 61.178 62.300 0.268 0.000 0.945 137 V CB 1.504 33.535 31.823 0.348 0.000 1.017 137 V HN 0.944 nan 8.190 nan 0.000 0.428 138 N N 2.129 120.998 118.700 0.280 0.000 2.399 138 N HA 0.276 5.016 4.740 -0.000 0.000 0.250 138 N C 0.682 176.433 175.510 0.402 0.000 1.272 138 N CA -0.351 52.886 53.050 0.311 0.000 0.928 138 N CB 0.557 39.192 38.487 0.248 0.000 1.158 138 N HN 0.735 nan 8.380 nan 0.000 0.463 139 K N 0.020 120.653 120.400 0.388 0.000 2.160 139 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 139 K C 1.093 177.810 176.600 0.194 0.000 1.047 139 K CA 1.532 58.026 56.287 0.345 0.000 0.930 139 K CB -0.273 32.430 32.500 0.339 0.000 0.720 139 K HN 0.681 nan 8.250 nan 0.000 0.450 140 Q N -0.891 119.035 119.800 0.211 0.000 2.451 140 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 140 Q C 0.453 176.376 176.000 -0.129 0.000 0.947 140 Q CA 0.661 56.499 55.803 0.057 0.000 0.937 140 Q CB 0.137 28.886 28.738 0.018 0.000 1.025 140 Q HN 0.472 nan 8.270 nan 0.000 0.511 141 W N -0.109 121.293 121.300 0.172 0.000 2.771 141 W HA 0.310 4.970 4.660 -0.000 0.000 0.412 141 W C 1.054 177.662 176.519 0.149 0.000 0.965 141 W CA -0.420 57.030 57.345 0.174 0.000 2.045 141 W CB 0.192 29.698 29.460 0.078 0.000 1.176 141 W HN 0.013 nan 8.180 nan 0.000 0.634 142 L N 0.221 121.538 121.223 0.156 0.000 2.056 142 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 142 L C 2.579 179.402 176.870 -0.078 0.000 1.078 142 L CA 1.453 56.306 54.840 0.022 0.000 0.749 142 L CB -0.384 41.596 42.059 -0.131 0.000 0.901 142 L HN 0.007 nan 8.230 nan 0.000 0.433 143 R N -1.049 119.342 120.500 -0.181 0.000 2.091 143 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 143 R C 2.296 178.424 176.300 -0.287 0.000 1.136 143 R CA 1.914 57.789 56.100 -0.375 0.000 0.959 143 R CB -0.679 29.325 30.300 -0.493 0.000 0.856 143 R HN 0.303 nan 8.270 nan 0.000 0.437 144 Y N 1.395 121.683 120.300 -0.019 0.000 2.165 144 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 144 Y C 2.328 178.250 175.900 0.037 0.000 1.155 144 Y CA 1.522 59.733 58.100 0.185 0.000 1.164 144 Y CB -0.320 38.432 38.460 0.488 0.000 0.978 144 Y HN 0.075 nan 8.280 nan 0.000 0.513 145 A N 0.155 123.028 122.820 0.090 0.000 1.902 145 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 145 A C 2.495 179.994 177.584 -0.142 0.000 1.181 145 A CA 1.793 53.799 52.037 -0.051 0.000 0.623 145 A CB -1.748 17.361 19.000 0.182 0.000 0.818 145 A HN 0.606 nan 8.150 nan 0.000 0.443 146 G N -1.030 107.654 108.800 -0.193 0.000 2.446 146 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 146 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 146 G C 1.366 176.106 174.900 -0.265 0.000 1.168 146 G CA 1.245 46.177 45.100 -0.281 0.000 0.771 146 G HN 0.786 nan 8.290 nan 0.000 0.551 147 H N -0.222 118.728 119.070 -0.201 0.000 2.421 147 H HA -0.023 4.533 4.556 -0.000 0.000 0.298 147 H C 2.870 178.074 175.328 -0.206 0.000 1.087 147 H CA 1.274 57.224 56.048 -0.163 0.000 1.330 147 H CB 0.167 29.893 29.762 -0.061 0.000 1.388 147 H HN 0.315 nan 8.280 nan 0.000 0.526 148 T N 0.282 114.667 114.554 -0.282 0.000 2.737 148 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 148 T C 2.418 177.033 174.700 -0.141 0.000 1.038 148 T CA 0.927 62.812 62.100 -0.358 0.000 1.144 148 T CB -0.402 67.978 68.868 -0.813 0.000 0.866 148 T HN 0.475 nan 8.240 nan 0.000 0.434 149 A N 1.765 124.538 122.820 -0.078 0.000 1.883 149 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 149 A C 2.616 180.014 177.584 -0.311 0.000 1.186 149 A CA 2.164 54.082 52.037 -0.198 0.000 0.624 149 A CB -1.070 17.890 19.000 -0.068 0.000 0.822 149 A HN 0.447 nan 8.150 nan 0.000 0.444 150 S N 0.114 115.698 115.700 -0.192 0.000 2.359 150 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 150 S C 1.681 176.360 174.600 0.131 0.000 1.035 150 S CA 1.485 59.579 58.200 -0.176 0.000 1.018 150 S CB -0.506 62.424 63.200 -0.450 0.000 0.876 150 S HN 0.609 nan 8.310 nan 0.000 0.448 151 D N 1.090 121.621 120.400 0.218 0.000 2.123 151 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 151 D C 2.069 178.462 176.300 0.155 0.000 0.992 151 D CA 1.070 55.194 54.000 0.207 0.000 0.833 151 D CB -0.278 40.558 40.800 0.061 0.000 0.954 151 D HN 0.546 nan 8.370 nan 0.000 0.455 152 E N 0.063 120.302 120.200 0.066 0.000 2.072 152 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 152 E C 2.330 178.973 176.600 0.072 0.000 0.985 152 E CA 0.446 56.900 56.400 0.090 0.000 0.801 152 E CB 0.139 29.941 29.700 0.170 0.000 0.750 152 E HN 0.085 nan 8.360 nan 0.000 0.452 153 V N 1.219 121.104 119.914 -0.048 0.000 2.295 153 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 153 V C 2.028 178.159 176.094 0.061 0.000 1.049 153 V CA 1.781 64.055 62.300 -0.042 0.000 1.024 153 V CB -0.497 31.212 31.823 -0.191 0.000 0.648 153 V HN 0.231 nan 8.190 nan 0.000 0.447 154 F N 1.033 120.980 119.950 -0.006 0.000 2.102 154 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 154 F C 2.521 178.405 175.800 0.140 0.000 1.105 154 F CA 2.371 60.450 58.000 0.131 0.000 1.239 154 F CB -0.131 39.036 39.000 0.278 0.000 0.991 154 F HN 0.191 nan 8.300 nan 0.000 0.474 155 E N 0.079 120.440 120.200 0.267 0.000 2.106 155 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 155 E C 2.144 178.771 176.600 0.044 0.000 0.984 155 E CA 1.077 57.553 56.400 0.126 0.000 0.806 155 E CB -0.099 29.679 29.700 0.130 0.000 0.750 155 E HN 0.208 nan 8.360 nan 0.000 0.458 156 K N 0.649 121.089 120.400 0.067 0.000 2.026 156 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 156 K C 1.915 178.535 176.600 0.033 0.000 1.048 156 K CA 1.350 57.669 56.287 0.053 0.000 0.929 156 K CB -0.224 32.322 32.500 0.076 0.000 0.713 156 K HN 0.182 nan 8.250 nan 0.000 0.439 157 L N -0.214 121.037 121.223 0.046 0.000 2.341 157 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 157 L C 1.971 178.828 176.870 -0.022 0.000 1.115 157 L CA 1.378 56.258 54.840 0.067 0.000 0.820 157 L CB -0.326 41.867 42.059 0.224 0.000 0.944 157 L HN 0.409 nan 8.230 nan 0.000 0.452 158 T N -5.290 109.188 114.554 -0.126 0.000 2.969 158 T HA 0.243 4.593 4.350 -0.000 0.000 0.250 158 T C 1.518 176.125 174.700 -0.155 0.000 1.021 158 T CA 0.570 62.528 62.100 -0.237 0.000 1.003 158 T CB 0.873 69.413 68.868 -0.548 0.000 1.040 158 T HN 0.328 nan 8.240 nan 0.000 0.492 159 G N 1.610 110.352 108.800 -0.097 0.000 2.184 159 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 159 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 159 G C -0.009 174.877 174.900 -0.023 0.000 0.975 159 G CA 0.320 45.394 45.100 -0.044 0.000 0.642 159 G HN 0.676 nan 8.290 nan 0.000 0.536 160 I N 0.554 121.102 120.570 -0.037 0.000 2.377 160 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 160 I C 0.700 176.938 176.117 0.202 0.000 0.987 160 I CA -0.951 60.394 61.300 0.076 0.000 1.185 160 I CB 1.686 39.752 38.000 0.111 0.000 1.341 160 I HN 0.052 nan 8.210 nan 0.000 0.455 161 K N 4.077 124.556 120.400 0.131 0.000 2.451 161 K HA 0.189 4.508 4.320 -0.000 0.000 0.280 161 K C 0.343 176.998 176.600 0.092 0.000 1.020 161 K CA -0.089 56.226 56.287 0.046 0.000 1.008 161 K CB 0.615 32.998 32.500 -0.194 0.000 0.917 161 K HN 0.837 nan 8.250 nan 0.000 0.478 162 G N 1.987 110.782 108.800 -0.008 0.000 2.483 162 G HA2 0.349 4.309 3.960 -0.000 0.000 0.248 162 G HA3 0.349 4.309 3.960 -0.000 0.000 0.248 162 G C 0.100 174.728 174.900 -0.453 0.000 1.248 162 G CA -0.154 44.669 45.100 -0.463 0.000 0.838 162 G HN 0.745 nan 8.290 nan 0.000 0.566 163 A N 1.346 123.623 122.820 -0.905 0.000 2.594 163 A HA 0.474 4.794 4.320 -0.000 0.000 0.287 163 A C 0.966 178.173 177.584 -0.629 0.000 1.227 163 A CA -0.382 51.312 52.037 -0.572 0.000 0.952 163 A CB 0.005 18.634 19.000 -0.619 0.000 1.161 163 A HN 0.498 nan 8.150 nan 0.000 0.524 164 F N 0.047 119.756 119.950 -0.402 0.000 2.661 164 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 164 F C 1.989 177.589 175.800 -0.333 0.000 1.137 164 F CA 0.716 58.413 58.000 -0.506 0.000 1.454 164 F CB -0.085 38.724 39.000 -0.319 0.000 1.103 164 F HN 0.173 nan 8.300 nan 0.000 0.577 165 R N -0.002 120.493 120.500 -0.009 0.000 2.426 165 R HA 0.109 4.449 4.340 -0.000 0.000 0.263 165 R C 0.668 177.057 176.300 0.148 0.000 0.961 165 R CA 0.118 56.275 56.100 0.094 0.000 1.086 165 R CB -0.209 30.141 30.300 0.084 0.000 1.186 165 R HN 0.203 nan 8.270 nan 0.000 0.537 166 T N -1.790 112.830 114.554 0.109 0.000 2.847 166 T HA 0.440 4.790 4.350 -0.000 0.000 0.279 166 T C 0.366 175.148 174.700 0.136 0.000 0.984 166 T CA -0.705 61.467 62.100 0.121 0.000 0.988 166 T CB 1.814 70.822 68.868 0.234 0.000 1.040 166 T HN 0.034 nan 8.240 nan 0.000 0.528 167 R N -0.240 120.256 120.500 -0.006 0.000 2.919 167 R HA 0.765 5.105 4.340 -0.000 0.000 0.260 167 R C -0.533 175.730 176.300 -0.062 0.000 1.067 167 R CA -1.052 55.064 56.100 0.027 0.000 1.003 167 R CB 1.656 32.031 30.300 0.125 0.000 1.192 167 R HN 0.840 nan 8.270 nan 0.000 0.488 168 I N -1.769 118.858 120.570 0.095 0.000 2.689 168 I HA 0.830 5.000 4.170 -0.000 0.000 0.299 168 I C -0.830 175.529 176.117 0.403 0.000 1.059 168 I CA -1.075 60.334 61.300 0.181 0.000 1.055 168 I CB 2.354 40.315 38.000 -0.065 0.000 1.243 168 I HN 0.571 nan 8.210 nan 0.000 0.425 169 A N 4.422 127.503 122.820 0.435 0.000 2.340 169 A HA 0.948 5.267 4.320 -0.000 0.000 0.331 169 A C -1.209 176.450 177.584 0.126 0.000 1.140 169 A CA -0.462 51.594 52.037 0.032 0.000 0.801 169 A CB 1.034 19.894 19.000 -0.233 0.000 1.234 169 A HN 0.960 nan 8.150 nan 0.000 0.469 170 Y N -2.009 118.271 120.300 -0.034 0.000 2.702 170 Y HA 0.617 5.167 4.550 -0.000 0.000 0.336 170 Y C -1.321 174.584 175.900 0.008 0.000 1.203 170 Y CA -1.451 56.662 58.100 0.022 0.000 1.072 170 Y CB 0.687 39.151 38.460 0.006 0.000 1.327 170 Y HN 0.424 nan 8.280 nan 0.000 0.456 171 V N 2.464 122.538 119.914 0.267 0.000 2.459 171 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 171 V C -0.618 175.625 176.094 0.249 0.000 1.029 171 V CA -0.830 61.591 62.300 0.202 0.000 0.874 171 V CB 1.441 33.452 31.823 0.313 0.000 0.985 171 V HN 0.682 nan 8.190 nan 0.000 0.438 172 V N 4.821 124.839 119.914 0.173 0.000 2.459 172 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 172 V C -0.184 175.957 176.094 0.078 0.000 1.029 172 V CA -0.523 61.857 62.300 0.133 0.000 0.874 172 V CB 1.631 33.523 31.823 0.116 0.000 0.985 172 V HN 0.939 nan 8.190 nan 0.000 0.438 173 Q N 3.162 122.981 119.800 0.030 0.000 2.357 173 Q HA 0.487 4.827 4.340 -0.000 0.000 0.266 173 Q C -0.132 175.797 176.000 -0.118 0.000 1.021 173 Q CA -0.519 55.228 55.803 -0.094 0.000 0.784 173 Q CB 1.684 30.379 28.738 -0.073 0.000 1.243 173 Q HN 0.951 nan 8.270 nan 0.000 0.465 174 T N 0.752 115.215 114.554 -0.152 0.000 2.874 174 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 174 T C 0.916 175.532 174.700 -0.139 0.000 0.994 174 T CA -0.685 61.349 62.100 -0.111 0.000 1.015 174 T CB 0.859 69.681 68.868 -0.076 0.000 1.028 174 T HN 0.543 nan 8.240 nan 0.000 0.523 175 N N 0.634 119.278 118.700 -0.093 0.000 2.216 175 N HA 0.112 4.852 4.740 -0.000 0.000 0.183 175 N C 1.036 176.493 175.510 -0.088 0.000 1.017 175 N CA 1.178 54.177 53.050 -0.084 0.000 0.861 175 N CB -0.311 38.143 38.487 -0.055 0.000 0.986 175 N HN 0.874 nan 8.380 nan 0.000 0.428 176 G N -1.963 106.789 108.800 -0.080 0.000 3.243 176 G HA2 0.579 4.539 3.960 -0.000 0.000 0.248 176 G HA3 0.579 4.539 3.960 -0.000 0.000 0.248 176 G C -0.376 174.481 174.900 -0.071 0.000 1.267 176 G CA -0.026 45.031 45.100 -0.071 0.000 0.906 176 G HN 0.413 nan 8.290 nan 0.000 0.592 177 G N -1.749 107.018 108.800 -0.055 0.000 2.707 177 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.686 177 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.686 177 G C 0.410 175.261 174.900 -0.081 0.000 1.315 177 G CA 0.458 45.535 45.100 -0.039 0.000 0.832 177 G HN 0.710 nan 8.290 nan 0.000 0.573 178 Q N -0.963 118.785 119.800 -0.086 0.000 2.230 178 Q HA 0.213 4.553 4.340 -0.000 0.000 0.202 178 Q C 0.499 176.117 176.000 -0.636 0.000 0.963 178 Q CA 1.338 56.943 55.803 -0.330 0.000 0.866 178 Q CB 0.141 28.706 28.738 -0.289 0.000 0.931 178 Q HN 0.446 nan 8.270 nan 0.000 0.452 179 F N -0.515 119.428 119.950 -0.012 0.000 2.622 179 F HA 0.299 4.826 4.527 -0.000 0.000 0.338 179 F C -1.990 173.788 175.800 -0.037 0.000 1.334 179 F CA -2.042 55.957 58.000 -0.002 0.000 1.179 179 F CB 1.477 40.462 39.000 -0.025 0.000 1.471 179 F HN -0.054 nan 8.300 nan 0.000 0.576 180 P HA -0.080 nan 4.420 nan 0.000 0.229 180 P C -0.578 176.535 177.300 -0.312 0.000 1.160 180 P CA 1.146 64.103 63.100 -0.239 0.000 0.777 180 P CB 0.036 31.445 31.700 -0.485 0.000 0.814 181 Y N 0.197 120.537 120.300 0.066 0.000 2.331 181 Y HA 0.434 4.984 4.550 -0.000 0.000 0.338 181 Y C 0.672 176.588 175.900 0.026 0.000 0.992 181 Y CA -0.727 57.408 58.100 0.058 0.000 1.121 181 Y CB 1.315 39.824 38.460 0.080 0.000 1.184 181 Y HN -0.206 nan 8.280 nan 0.000 0.469 182 E N 3.175 123.446 120.200 0.118 0.000 2.246 182 E HA 0.323 4.673 4.350 -0.000 0.000 0.266 182 E C -1.622 174.945 176.600 -0.055 0.000 0.880 182 E CA -1.157 55.246 56.400 0.005 0.000 0.762 182 E CB 2.670 32.352 29.700 -0.030 0.000 1.180 182 E HN 0.411 nan 8.360 nan 0.000 0.416 183 L N 3.651 124.784 121.223 -0.150 0.000 2.290 183 L HA 0.375 4.715 4.340 -0.000 0.000 0.284 183 L C -0.680 175.962 176.870 -0.380 0.000 1.078 183 L CA 0.259 54.924 54.840 -0.292 0.000 0.815 183 L CB 0.295 42.077 42.059 -0.462 0.000 1.162 183 L HN 0.474 nan 8.230 nan 0.000 0.435 184 R N 3.449 123.607 120.500 -0.570 0.000 2.854 184 R HA 0.824 5.164 4.340 -0.000 0.000 0.271 184 R C -1.543 174.182 176.300 -0.958 0.000 0.994 184 R CA -1.082 54.571 56.100 -0.745 0.000 0.945 184 R CB 2.345 32.203 30.300 -0.736 0.000 1.194 184 R HN 0.437 nan 8.270 nan 0.000 0.476 185 V N 1.039 120.387 119.914 -0.943 0.000 2.735 185 V HA 0.559 4.679 4.120 -0.000 0.000 0.310 185 V C -0.474 175.382 176.094 -0.396 0.000 1.061 185 V CA -0.477 61.419 62.300 -0.674 0.000 0.913 185 V CB 2.048 33.441 31.823 -0.717 0.000 1.005 185 V HN 1.048 nan 8.190 nan 0.000 0.428 186 S N 1.645 117.340 115.700 -0.008 0.000 2.671 186 S HA 0.618 5.088 4.470 -0.000 0.000 0.277 186 S C -1.238 173.450 174.600 0.147 0.000 1.165 186 S CA -1.022 57.246 58.200 0.113 0.000 0.822 186 S CB 1.882 65.169 63.200 0.146 0.000 1.150 186 S HN 0.529 nan 8.310 nan 0.000 0.479 187 D N 0.796 121.272 120.400 0.127 0.000 2.362 187 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 187 D C 1.135 177.428 176.300 -0.011 0.000 1.212 187 D CA 0.068 54.133 54.000 0.108 0.000 0.902 187 D CB -0.010 40.860 40.800 0.115 0.000 1.180 187 D HN 0.772 nan 8.370 nan 0.000 0.445 188 Y N 0.256 120.517 120.300 -0.065 0.000 2.315 188 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 188 Y C 1.055 176.883 175.900 -0.120 0.000 1.154 188 Y CA 1.497 59.481 58.100 -0.193 0.000 1.229 188 Y CB -0.280 38.108 38.460 -0.120 0.000 0.980 188 Y HN 0.224 nan 8.280 nan 0.000 0.540 189 D N -1.049 118.700 120.400 -1.085 0.000 2.340 189 D HA 0.233 4.873 4.640 -0.000 0.000 0.217 189 D C 1.772 177.892 176.300 -0.301 0.000 1.081 189 D CA 0.419 53.967 54.000 -0.753 0.000 0.842 189 D CB 0.151 40.544 40.800 -0.679 0.000 0.934 189 D HN 0.544 nan 8.370 nan 0.000 0.511 190 G N -0.746 107.911 108.800 -0.239 0.000 2.232 190 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 190 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 190 G C -0.013 174.766 174.900 -0.201 0.000 0.996 190 G CA -0.132 44.832 45.100 -0.227 0.000 0.626 190 G HN 0.339 nan 8.290 nan 0.000 0.509 191 Y N 0.939 121.176 120.300 -0.105 0.000 2.330 191 Y HA 0.432 4.982 4.550 -0.000 0.000 0.341 191 Y C 1.557 177.413 175.900 -0.073 0.000 1.278 191 Y CA 0.533 58.583 58.100 -0.084 0.000 1.453 191 Y CB 0.315 38.667 38.460 -0.179 0.000 1.342 191 Y HN 0.248 nan 8.280 nan 0.000 0.590 192 N N 0.693 119.450 118.700 0.096 0.000 2.740 192 N HA -0.257 4.483 4.740 -0.000 0.000 0.248 192 N C -0.514 175.107 175.510 0.184 0.000 1.062 192 N CA 0.678 53.746 53.050 0.030 0.000 0.704 192 N CB -0.866 37.475 38.487 -0.243 0.000 0.968 192 N HN 0.735 nan 8.380 nan 0.000 0.547 193 Q N 0.192 120.080 119.800 0.146 0.000 2.352 193 Q HA 0.406 4.746 4.340 -0.000 0.000 0.260 193 Q C -0.292 175.843 176.000 0.226 0.000 0.976 193 Q CA -0.168 55.712 55.803 0.128 0.000 0.881 193 Q CB 0.457 29.238 28.738 0.071 0.000 1.235 193 Q HN 0.314 nan 8.270 nan 0.000 0.419 194 F N 0.104 120.057 119.950 0.004 0.000 2.645 194 F HA 0.617 5.144 4.527 -0.000 0.000 0.310 194 F C -1.747 174.018 175.800 -0.058 0.000 1.102 194 F CA -1.305 56.688 58.000 -0.011 0.000 0.952 194 F CB 0.762 39.772 39.000 0.017 0.000 1.326 194 F HN 0.147 nan 8.300 nan 0.000 0.456 195 V N 2.865 122.839 119.914 0.100 0.000 2.432 195 V HA 0.223 4.343 4.120 -0.000 0.000 0.275 195 V C 0.566 176.687 176.094 0.045 0.000 1.043 195 V CA -0.318 61.957 62.300 -0.043 0.000 0.925 195 V CB 1.039 32.849 31.823 -0.021 0.000 0.985 195 V HN 0.899 nan 8.190 nan 0.000 0.466 196 V N 3.514 123.362 119.914 -0.110 0.000 2.426 196 V HA 0.084 4.204 4.120 -0.000 0.000 0.242 196 V C 0.437 176.558 176.094 0.045 0.000 1.036 196 V CA 1.113 63.399 62.300 -0.024 0.000 1.044 196 V CB -0.308 31.394 31.823 -0.203 0.000 0.688 196 V HN 0.973 nan 8.190 nan 0.000 0.462 197 H N -0.440 118.529 119.070 -0.169 0.000 3.086 197 H HA 0.584 5.140 4.556 -0.000 0.000 0.353 197 H C -0.642 174.629 175.328 -0.095 0.000 1.134 197 H CA -0.764 55.211 56.048 -0.123 0.000 1.248 197 H CB 1.169 30.835 29.762 -0.160 0.000 1.878 197 H HN 0.113 nan 8.280 nan 0.000 0.527 198 R N 2.687 122.847 120.500 -0.567 0.000 2.589 198 R HA 0.665 5.005 4.340 -0.000 0.000 0.293 198 R C -0.967 175.126 176.300 -0.346 0.000 0.963 198 R CA -0.963 54.934 56.100 -0.339 0.000 0.905 198 R CB 2.115 32.227 30.300 -0.313 0.000 1.144 198 R HN 0.501 nan 8.270 nan 0.000 0.459 199 S N 1.460 117.231 115.700 0.118 0.000 2.536 199 S HA 0.401 4.871 4.470 -0.000 0.000 0.271 199 S C -2.263 172.595 174.600 0.431 0.000 1.134 199 S CA -1.582 56.799 58.200 0.301 0.000 0.897 199 S CB 1.752 65.096 63.200 0.239 0.000 1.094 199 S HN 0.436 nan 8.310 nan 0.000 0.473 200 P HA 0.110 nan 4.420 nan 0.000 0.236 200 P C -0.319 177.126 177.300 0.242 0.000 1.177 200 P CA 0.622 63.764 63.100 0.070 0.000 0.773 200 P CB 0.238 31.848 31.700 -0.151 0.000 0.878 201 Q N -0.658 119.240 119.800 0.162 0.000 2.484 201 Q HA 0.467 4.807 4.340 -0.000 0.000 0.285 201 Q C -2.759 172.861 176.000 -0.633 0.000 1.097 201 Q CA -2.805 52.929 55.803 -0.116 0.000 0.802 201 Q CB 0.767 29.520 28.738 0.024 0.000 1.444 201 Q HN -0.098 nan 8.270 nan 0.000 0.429 202 P HA 0.024 nan 4.420 nan 0.000 0.264 202 P C -0.668 176.526 177.300 -0.177 0.000 1.179 202 P CA 0.546 63.096 63.100 -0.916 0.000 0.763 202 P CB 0.375 31.753 31.700 -0.537 0.000 0.806 203 L N 3.605 124.777 121.223 -0.085 0.000 2.346 203 L HA 0.570 4.910 4.340 -0.000 0.000 0.276 203 L C 0.256 177.054 176.870 -0.121 0.000 1.006 203 L CA -0.491 54.364 54.840 0.026 0.000 0.817 203 L CB 1.297 43.378 42.059 0.035 0.000 1.272 203 L HN 0.264 nan 8.230 nan 0.000 0.421 204 M N 1.063 120.506 119.600 -0.262 0.000 2.572 204 M HA 0.366 4.846 4.480 -0.000 0.000 0.299 204 M C -0.002 175.864 176.300 -0.723 0.000 1.205 204 M CA -0.666 54.105 55.300 -0.883 0.000 0.876 204 M CB 2.200 34.584 32.600 -0.360 0.000 1.728 204 M HN 0.552 nan 8.290 nan 0.000 0.458 205 S N 0.748 115.786 115.700 -1.102 0.000 3.697 205 S HA -0.071 4.399 4.470 -0.000 0.000 0.388 205 S C -2.402 172.154 174.600 -0.074 0.000 0.941 205 S CA -0.170 57.864 58.200 -0.277 0.000 1.247 205 S CB -1.862 61.287 63.200 -0.085 0.000 0.904 205 S HN 0.521 nan 8.310 nan 0.000 0.518 206 P HA 0.465 nan 4.420 nan 0.000 0.268 206 P C -0.451 176.871 177.300 0.037 0.000 1.204 206 P CA -0.008 63.078 63.100 -0.024 0.000 0.768 206 P CB 0.832 32.450 31.700 -0.137 0.000 0.842 207 A N 3.463 126.325 122.820 0.070 0.000 2.393 207 A HA 0.560 4.880 4.320 -0.000 0.000 0.306 207 A C -1.429 176.322 177.584 0.279 0.000 1.050 207 A CA -0.685 51.494 52.037 0.236 0.000 0.724 207 A CB 0.801 19.982 19.000 0.301 0.000 1.248 207 A HN 0.451 nan 8.150 nan 0.000 0.424 208 W N 2.085 123.554 121.300 0.283 0.000 2.315 208 W HA 0.464 5.124 4.660 -0.000 0.000 0.316 208 W C 1.017 177.441 176.519 -0.157 0.000 1.211 208 W CA 0.249 57.652 57.345 0.097 0.000 1.201 208 W CB 1.542 31.048 29.460 0.077 0.000 1.184 208 W HN 0.811 nan 8.180 nan 0.000 0.544 209 S N 3.419 118.842 115.700 -0.462 0.000 2.576 209 S HA 0.157 4.626 4.470 -0.000 0.000 0.276 209 S C -1.398 173.078 174.600 -0.206 0.000 1.339 209 S CA -1.028 56.613 58.200 -0.933 0.000 1.039 209 S CB 1.213 63.811 63.200 -1.002 0.000 0.902 209 S HN 0.405 nan 8.310 nan 0.000 0.516 210 P HA -0.076 nan 4.420 nan 0.000 0.225 210 P C 0.519 177.802 177.300 -0.028 0.000 1.148 210 P CA 1.106 64.183 63.100 -0.040 0.000 0.779 210 P CB -0.236 31.446 31.700 -0.030 0.000 0.780 211 D N -1.231 119.143 120.400 -0.043 0.000 2.340 211 D HA 0.078 4.718 4.640 -0.000 0.000 0.220 211 D C 1.457 177.775 176.300 0.029 0.000 1.039 211 D CA 0.444 54.439 54.000 -0.007 0.000 0.866 211 D CB -1.043 39.750 40.800 -0.012 0.000 0.913 211 D HN 0.203 nan 8.370 nan 0.000 0.523 212 G N 0.278 109.115 108.800 0.062 0.000 2.168 212 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.263 212 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.263 212 G C 1.077 176.152 174.900 0.292 0.000 0.977 212 G CA 0.958 46.161 45.100 0.173 0.000 0.659 212 G HN 0.721 nan 8.290 nan 0.000 0.533 213 S N -1.428 114.366 115.700 0.157 0.000 2.503 213 S HA 0.427 4.897 4.470 -0.000 0.000 0.215 213 S C 0.783 175.447 174.600 0.107 0.000 1.003 213 S CA 0.944 59.222 58.200 0.131 0.000 0.910 213 S CB 0.558 63.793 63.200 0.058 0.000 0.790 213 S HN 0.581 nan 8.310 nan 0.000 0.514 214 K N 0.377 120.804 120.400 0.046 0.000 2.435 214 K HA 0.647 4.967 4.320 -0.000 0.000 0.251 214 K C -1.627 174.929 176.600 -0.072 0.000 0.954 214 K CA -0.655 55.624 56.287 -0.012 0.000 0.820 214 K CB 2.170 34.651 32.500 -0.032 0.000 1.292 214 K HN 0.082 nan 8.250 nan 0.000 0.436 215 L N 1.586 122.789 121.223 -0.034 0.000 2.365 215 L HA 0.616 4.956 4.340 -0.000 0.000 0.273 215 L C -0.476 176.515 176.870 0.201 0.000 1.000 215 L CA -0.995 53.830 54.840 -0.025 0.000 0.819 215 L CB 1.983 43.910 42.059 -0.220 0.000 1.284 215 L HN 0.739 nan 8.230 nan 0.000 0.418 216 A N 3.088 126.092 122.820 0.306 0.000 2.306 216 A HA 0.809 5.129 4.320 -0.000 0.000 0.314 216 A C -1.187 176.437 177.584 0.066 0.000 1.164 216 A CA -0.193 51.887 52.037 0.072 0.000 0.822 216 A CB 0.676 19.625 19.000 -0.084 0.000 1.130 216 A HN 0.698 nan 8.150 nan 0.000 0.496 217 Y N -1.481 118.727 120.300 -0.153 0.000 2.713 217 Y HA 0.608 5.158 4.550 -0.000 0.000 0.335 217 Y C -1.247 174.523 175.900 -0.217 0.000 1.222 217 Y CA -1.495 56.495 58.100 -0.183 0.000 1.061 217 Y CB 0.614 38.963 38.460 -0.185 0.000 1.314 217 Y HN 0.417 nan 8.280 nan 0.000 0.453 218 V N 1.743 121.634 119.914 -0.039 0.000 2.427 218 V HA 0.662 4.782 4.120 -0.000 0.000 0.286 218 V C -0.201 175.884 176.094 -0.016 0.000 1.034 218 V CA -0.171 62.033 62.300 -0.160 0.000 0.893 218 V CB 1.287 33.014 31.823 -0.160 0.000 0.982 218 V HN 0.912 nan 8.190 nan 0.000 0.452 219 T N 3.417 117.894 114.554 -0.127 0.000 2.876 219 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 219 T C -0.255 174.357 174.700 -0.147 0.000 1.014 219 T CA -0.289 61.813 62.100 0.004 0.000 0.986 219 T CB 0.885 69.820 68.868 0.112 0.000 1.021 219 T HN 0.360 nan 8.240 nan 0.000 0.458 220 F N 1.928 121.856 119.950 -0.037 0.000 2.641 220 F HA 0.231 4.758 4.527 -0.000 0.000 0.302 220 F C 2.155 177.944 175.800 -0.018 0.000 1.098 220 F CA -0.371 57.605 58.000 -0.039 0.000 1.318 220 F CB 0.303 39.267 39.000 -0.060 0.000 1.035 220 F HN 0.778 nan 8.300 nan 0.000 0.551 221 E N -0.191 120.094 120.200 0.142 0.000 2.265 221 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 221 E C 1.843 178.495 176.600 0.088 0.000 0.996 221 E CA 1.497 57.977 56.400 0.133 0.000 0.832 221 E CB -0.415 29.397 29.700 0.187 0.000 0.756 221 E HN 0.380 nan 8.360 nan 0.000 0.491 222 S N -0.419 115.308 115.700 0.045 0.000 2.561 222 S HA 0.221 4.691 4.470 -0.000 0.000 0.225 222 S C 1.632 176.249 174.600 0.029 0.000 0.977 222 S CA 0.403 58.613 58.200 0.017 0.000 0.926 222 S CB 0.181 63.361 63.200 -0.033 0.000 0.769 222 S HN 0.624 nan 8.310 nan 0.000 0.533 223 G N 1.467 110.307 108.800 0.066 0.000 2.195 223 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.224 223 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.224 223 G C 0.038 175.008 174.900 0.116 0.000 0.990 223 G CA -0.108 45.042 45.100 0.083 0.000 0.639 223 G HN 0.940 nan 8.290 nan 0.000 0.514 224 R N -0.806 119.742 120.500 0.080 0.000 2.747 224 R HA 0.687 5.027 4.340 -0.000 0.000 0.272 224 R C 0.035 176.191 176.300 -0.240 0.000 1.032 224 R CA -0.145 55.986 56.100 0.052 0.000 0.896 224 R CB 0.240 30.544 30.300 0.007 0.000 1.253 224 R HN 0.822 nan 8.270 nan 0.000 0.461 225 S N 0.164 115.543 115.700 -0.534 0.000 2.562 225 S HA 0.594 5.063 4.470 -0.000 0.000 0.281 225 S C -0.026 174.264 174.600 -0.518 0.000 1.333 225 S CA -0.169 57.480 58.200 -0.918 0.000 1.052 225 S CB 1.213 63.839 63.200 -0.956 0.000 0.884 225 S HN 0.819 nan 8.310 nan 0.000 0.506 226 A N 2.335 124.858 122.820 -0.495 0.000 2.422 226 A HA 0.685 5.005 4.320 -0.000 0.000 0.302 226 A C -1.063 176.261 177.584 -0.433 0.000 1.041 226 A CA -0.836 50.961 52.037 -0.400 0.000 0.708 226 A CB 1.362 20.172 19.000 -0.316 0.000 1.257 226 A HN 1.029 nan 8.150 nan 0.000 0.414 227 L N 3.399 124.355 121.223 -0.445 0.000 2.282 227 L HA 0.797 5.137 4.340 -0.000 0.000 0.288 227 L C -0.280 176.294 176.870 -0.494 0.000 1.033 227 L CA -0.241 54.311 54.840 -0.479 0.000 0.807 227 L CB 1.524 43.274 42.059 -0.515 0.000 1.209 227 L HN 1.042 nan 8.230 nan 0.000 0.423 228 V N 2.759 122.329 119.914 -0.572 0.000 3.102 228 V HA 0.670 4.790 4.120 -0.000 0.000 0.312 228 V C -0.591 175.198 176.094 -0.508 0.000 1.135 228 V CA -0.804 61.168 62.300 -0.547 0.000 1.022 228 V CB 2.065 33.510 31.823 -0.629 0.000 1.056 228 V HN 0.662 nan 8.190 nan 0.000 0.436 229 I N 1.940 122.321 120.570 -0.315 0.000 2.418 229 I HA 0.528 4.698 4.170 -0.000 0.000 0.287 229 I C -0.479 175.586 176.117 -0.086 0.000 1.008 229 I CA -0.299 60.923 61.300 -0.129 0.000 1.104 229 I CB 1.833 39.844 38.000 0.019 0.000 1.264 229 I HN 0.823 nan 8.210 nan 0.000 0.438 230 Q N 4.357 124.156 119.800 -0.000 0.000 2.316 230 Q HA 0.417 4.757 4.340 -0.000 0.000 0.264 230 Q C -1.005 175.034 176.000 0.066 0.000 0.987 230 Q CA -0.595 55.239 55.803 0.052 0.000 0.852 230 Q CB 1.837 30.675 28.738 0.168 0.000 1.287 230 Q HN 0.584 nan 8.270 nan 0.000 0.448 231 T N 5.144 119.729 114.554 0.051 0.000 2.761 231 T HA 0.177 4.527 4.350 -0.000 0.000 0.296 231 T C 1.347 176.093 174.700 0.076 0.000 0.934 231 T CA -0.158 61.975 62.100 0.055 0.000 1.091 231 T CB 0.475 69.366 68.868 0.038 0.000 0.896 231 T HN 0.614 nan 8.240 nan 0.000 0.515 232 L N 2.365 123.650 121.223 0.103 0.000 2.156 232 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 232 L C 2.817 179.747 176.870 0.099 0.000 1.095 232 L CA 0.939 55.875 54.840 0.160 0.000 0.770 232 L CB -0.580 41.636 42.059 0.262 0.000 0.914 232 L HN 0.758 nan 8.230 nan 0.000 0.439 233 A N 1.113 123.969 122.820 0.059 0.000 1.969 233 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 233 A C 1.753 179.335 177.584 -0.003 0.000 1.169 233 A CA 1.921 53.963 52.037 0.009 0.000 0.635 233 A CB -0.621 18.387 19.000 0.013 0.000 0.810 233 A HN 0.751 nan 8.150 nan 0.000 0.445 234 N N -3.939 114.771 118.700 0.017 0.000 2.143 234 N HA 0.332 5.071 4.740 -0.000 0.000 0.222 234 N C 0.868 176.393 175.510 0.024 0.000 1.264 234 N CA 0.533 53.589 53.050 0.011 0.000 0.897 234 N CB 0.620 39.111 38.487 0.007 0.000 1.092 234 N HN 0.514 nan 8.380 nan 0.000 0.516 235 G N 0.646 109.473 108.800 0.044 0.000 2.168 235 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 235 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 235 G C 0.332 175.255 174.900 0.039 0.000 0.977 235 G CA 0.131 45.265 45.100 0.057 0.000 0.659 235 G HN 0.758 nan 8.290 nan 0.000 0.533 236 A N -0.464 122.370 122.820 0.025 0.000 2.520 236 A HA 0.560 4.880 4.320 -0.000 0.000 0.245 236 A C 0.485 178.066 177.584 -0.005 0.000 1.072 236 A CA 0.742 52.783 52.037 0.007 0.000 0.761 236 A CB 0.750 19.753 19.000 0.005 0.000 1.004 236 A HN 1.194 nan 8.150 nan 0.000 0.499 237 V N 4.082 123.978 119.914 -0.029 0.000 2.448 237 V HA 0.457 4.576 4.120 -0.000 0.000 0.295 237 V C 0.407 176.449 176.094 -0.086 0.000 1.025 237 V CA -0.624 61.633 62.300 -0.071 0.000 0.859 237 V CB 1.500 33.263 31.823 -0.100 0.000 0.988 237 V HN 0.957 nan 8.190 nan 0.000 0.431 238 R N 3.907 124.343 120.500 -0.105 0.000 2.295 238 R HA 0.384 4.724 4.340 -0.000 0.000 0.324 238 R C -0.603 175.591 176.300 -0.176 0.000 0.968 238 R CA -0.692 55.340 56.100 -0.112 0.000 0.837 238 R CB 0.986 31.241 30.300 -0.076 0.000 1.133 238 R HN 0.642 nan 8.270 nan 0.000 0.450 239 Q N 3.279 122.971 119.800 -0.179 0.000 2.286 239 Q HA 0.065 4.405 4.340 -0.000 0.000 0.267 239 Q C 0.598 176.451 176.000 -0.245 0.000 1.028 239 Q CA -0.004 55.661 55.803 -0.230 0.000 0.901 239 Q CB 1.777 30.390 28.738 -0.209 0.000 1.183 239 Q HN 0.535 nan 8.270 nan 0.000 0.392 240 V N 1.000 120.723 119.914 -0.320 0.000 2.521 240 V HA 0.276 4.396 4.120 -0.000 0.000 0.239 240 V C 0.383 176.246 176.094 -0.384 0.000 1.053 240 V CA 1.230 63.316 62.300 -0.357 0.000 1.073 240 V CB 0.284 31.811 31.823 -0.493 0.000 0.746 240 V HN 0.786 nan 8.190 nan 0.000 0.476 241 A N -0.951 121.605 122.820 -0.439 0.000 2.491 241 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 241 A C -0.437 176.894 177.584 -0.423 0.000 1.047 241 A CA 0.049 51.835 52.037 -0.418 0.000 0.735 241 A CB 1.831 20.678 19.000 -0.255 0.000 1.281 241 A HN 0.027 nan 8.150 nan 0.000 0.398 242 S N 2.252 117.632 115.700 -0.534 0.000 2.407 242 S HA 0.506 4.976 4.470 -0.000 0.000 0.166 242 S C -0.673 173.694 174.600 -0.388 0.000 1.445 242 S CA -0.340 57.629 58.200 -0.386 0.000 1.260 242 S CB -0.672 62.336 63.200 -0.320 0.000 1.401 242 S HN 0.488 nan 8.310 nan 0.000 0.379 243 F N 2.286 122.135 119.950 -0.168 0.000 2.435 243 F HA 0.381 4.908 4.527 -0.000 0.000 0.316 243 F C -1.640 174.100 175.800 -0.100 0.000 1.220 243 F CA -1.725 56.200 58.000 -0.125 0.000 1.241 243 F CB -0.083 38.835 39.000 -0.136 0.000 1.234 243 F HN 0.220 nan 8.300 nan 0.000 0.569 244 P HA 0.108 nan 4.420 nan 0.000 0.268 244 P C -0.465 176.880 177.300 0.075 0.000 1.208 244 P CA 0.312 63.456 63.100 0.074 0.000 0.777 244 P CB 0.485 32.226 31.700 0.069 0.000 0.875 245 R N -1.250 119.290 120.500 0.066 0.000 4.014 245 R HA -0.242 4.098 4.340 -0.000 0.000 0.367 245 R C 0.238 176.604 176.300 0.110 0.000 0.241 245 R CA 0.528 56.685 56.100 0.095 0.000 1.193 245 R CB -1.762 28.593 30.300 0.092 0.000 1.065 245 R HN 0.644 nan 8.270 nan 0.000 0.531 246 H N 2.032 121.118 119.070 0.026 0.000 2.502 246 H HA 0.399 4.955 4.556 -0.000 0.000 0.327 246 H C -0.685 174.637 175.328 -0.011 0.000 1.099 246 H CA -0.197 55.855 56.048 0.006 0.000 1.323 246 H CB 0.721 30.513 29.762 0.050 0.000 1.450 246 H HN 0.284 nan 8.280 nan 0.000 0.502 247 N N 3.626 121.931 118.700 -0.658 0.000 2.540 247 N HA 0.425 5.165 4.740 -0.000 0.000 0.275 247 N C -0.761 174.339 175.510 -0.683 0.000 1.053 247 N CA -0.271 52.500 53.050 -0.465 0.000 0.876 247 N CB 2.091 40.370 38.487 -0.348 0.000 1.284 247 N HN 0.819 nan 8.380 nan 0.000 0.518 248 G N -0.103 108.471 108.800 -0.377 0.000 2.570 248 G HA2 0.551 4.511 3.960 -0.000 0.000 0.310 248 G HA3 0.551 4.511 3.960 -0.000 0.000 0.310 248 G C -0.946 173.990 174.900 0.061 0.000 1.266 248 G CA 0.062 45.045 45.100 -0.195 0.000 0.825 248 G HN 0.567 nan 8.290 nan 0.000 0.483 249 A N -0.169 122.716 122.820 0.109 0.000 2.667 249 A HA -0.024 4.296 4.320 -0.000 0.000 0.298 249 A C -1.754 175.905 177.584 0.124 0.000 1.483 249 A CA 1.051 53.170 52.037 0.137 0.000 0.738 249 A CB -1.896 17.204 19.000 0.167 0.000 1.067 249 A HN 0.757 nan 8.150 nan 0.000 0.451 250 P HA 0.550 nan 4.420 nan 0.000 0.277 250 P C -0.273 177.097 177.300 0.118 0.000 1.240 250 P CA 0.526 63.670 63.100 0.073 0.000 0.798 250 P CB 1.534 33.193 31.700 -0.069 0.000 0.979 251 A N 2.168 125.082 122.820 0.156 0.000 2.465 251 A HA 0.571 4.891 4.320 -0.000 0.000 0.292 251 A C -1.179 176.690 177.584 0.476 0.000 1.041 251 A CA -0.523 51.711 52.037 0.329 0.000 0.718 251 A CB 0.444 19.638 19.000 0.322 0.000 1.266 251 A HN 0.303 nan 8.150 nan 0.000 0.403 252 F N 2.265 122.434 119.950 0.366 0.000 2.412 252 F HA 0.401 4.928 4.527 -0.000 0.000 0.348 252 F C 1.558 177.272 175.800 -0.142 0.000 1.102 252 F CA 0.569 58.681 58.000 0.186 0.000 1.196 252 F CB 1.556 40.624 39.000 0.114 0.000 1.144 252 F HN 0.644 nan 8.300 nan 0.000 0.541 253 S N 3.492 118.896 115.700 -0.493 0.000 2.562 253 S HA 0.127 4.597 4.470 -0.000 0.000 0.281 253 S C -1.951 172.362 174.600 -0.479 0.000 1.333 253 S CA -1.088 56.304 58.200 -1.347 0.000 1.052 253 S CB 1.032 63.325 63.200 -1.512 0.000 0.884 253 S HN 0.396 nan 8.310 nan 0.000 0.506 254 P HA -0.134 nan 4.420 nan 0.000 0.218 254 P C 0.793 178.029 177.300 -0.106 0.000 1.146 254 P CA 1.466 64.490 63.100 -0.126 0.000 0.813 254 P CB -0.145 31.521 31.700 -0.057 0.000 0.778 255 D N -1.991 118.317 120.400 -0.153 0.000 2.349 255 D HA 0.070 4.709 4.640 -0.000 0.000 0.224 255 D C 1.442 177.699 176.300 -0.071 0.000 1.029 255 D CA 0.633 54.578 54.000 -0.093 0.000 0.879 255 D CB -0.997 39.750 40.800 -0.088 0.000 0.906 255 D HN 0.219 nan 8.370 nan 0.000 0.528 256 G N 0.070 108.826 108.800 -0.074 0.000 2.179 256 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 256 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 256 G C 1.172 176.083 174.900 0.019 0.000 0.977 256 G CA 0.910 46.002 45.100 -0.013 0.000 0.641 256 G HN 0.701 nan 8.290 nan 0.000 0.533 257 S N -1.158 114.525 115.700 -0.028 0.000 2.486 257 S HA 0.419 4.889 4.470 -0.000 0.000 0.220 257 S C 0.821 175.440 174.600 0.032 0.000 1.011 257 S CA 1.128 59.329 58.200 0.001 0.000 0.921 257 S CB 0.544 63.732 63.200 -0.020 0.000 0.785 257 S HN 0.572 nan 8.310 nan 0.000 0.517 258 K N 0.098 120.500 120.400 0.004 0.000 2.435 258 K HA 0.634 4.954 4.320 -0.000 0.000 0.251 258 K C -2.045 174.636 176.600 0.135 0.000 0.954 258 K CA -0.797 55.534 56.287 0.073 0.000 0.820 258 K CB 2.184 34.727 32.500 0.072 0.000 1.292 258 K HN 0.117 nan 8.250 nan 0.000 0.436 259 L N 1.691 123.029 121.223 0.191 0.000 2.325 259 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 259 L C -1.066 176.032 176.870 0.380 0.000 1.004 259 L CA -0.178 54.761 54.840 0.165 0.000 0.823 259 L CB 1.527 43.541 42.059 -0.074 0.000 1.236 259 L HN 0.810 nan 8.230 nan 0.000 0.415 260 A N 4.607 127.685 122.820 0.430 0.000 2.293 260 A HA 0.863 5.183 4.320 -0.000 0.000 0.302 260 A C -0.894 176.799 177.584 0.181 0.000 1.119 260 A CA -0.226 51.884 52.037 0.121 0.000 0.823 260 A CB 0.337 19.234 19.000 -0.171 0.000 1.097 260 A HN 0.801 nan 8.150 nan 0.000 0.491 261 F N -1.860 118.080 119.950 -0.016 0.000 2.858 261 F HA 0.749 5.276 4.527 -0.000 0.000 0.319 261 F C -0.385 175.430 175.800 0.024 0.000 1.166 261 F CA -0.823 57.164 58.000 -0.021 0.000 0.899 261 F CB 1.047 40.011 39.000 -0.061 0.000 1.332 261 F HN 0.796 nan 8.300 nan 0.000 0.461 262 A N 1.568 124.535 122.820 0.246 0.000 2.342 262 A HA 0.889 5.208 4.320 -0.000 0.000 0.323 262 A C -1.515 176.202 177.584 0.222 0.000 1.125 262 A CA -0.808 51.344 52.037 0.192 0.000 0.785 262 A CB 1.190 20.287 19.000 0.162 0.000 1.221 262 A HN 0.777 nan 8.150 nan 0.000 0.463 263 L N 1.713 123.041 121.223 0.174 0.000 2.381 263 L HA 0.524 4.863 4.340 -0.000 0.000 0.268 263 L C 0.828 177.761 176.870 0.105 0.000 0.997 263 L CA -0.534 54.322 54.840 0.027 0.000 0.818 263 L CB 2.527 44.355 42.059 -0.387 0.000 1.310 263 L HN 0.821 nan 8.230 nan 0.000 0.416 264 S N -0.910 114.848 115.700 0.096 0.000 2.602 264 S HA 0.018 4.488 4.470 -0.000 0.000 0.240 264 S C 1.206 175.838 174.600 0.053 0.000 0.992 264 S CA -0.498 57.758 58.200 0.094 0.000 0.971 264 S CB -0.108 63.163 63.200 0.119 0.000 0.855 264 S HN 0.766 nan 8.310 nan 0.000 0.481 265 K N 1.881 122.285 120.400 0.008 0.000 2.218 265 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 265 K C 1.752 178.351 176.600 -0.000 0.000 1.046 265 K CA 2.017 58.299 56.287 -0.008 0.000 0.933 265 K CB -1.376 31.072 32.500 -0.086 0.000 0.728 265 K HN 0.501 nan 8.250 nan 0.000 0.454 266 T N -3.606 110.956 114.554 0.012 0.000 3.085 266 T HA 0.212 4.561 4.350 -0.000 0.000 0.263 266 T C 1.503 176.211 174.700 0.014 0.000 1.127 266 T CA 0.532 62.640 62.100 0.014 0.000 1.103 266 T CB 0.158 69.040 68.868 0.023 0.000 0.921 266 T HN 0.559 nan 8.240 nan 0.000 0.510 267 G N 0.586 109.399 108.800 0.023 0.000 2.211 267 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.201 267 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.201 267 G C 0.162 175.075 174.900 0.021 0.000 0.997 267 G CA 0.099 45.212 45.100 0.021 0.000 0.652 267 G HN 1.460 nan 8.290 nan 0.000 0.500 268 S N -0.808 114.907 115.700 0.025 0.000 2.596 268 S HA 0.760 5.230 4.470 -0.000 0.000 0.270 268 S C -0.458 174.167 174.600 0.041 0.000 1.155 268 S CA -0.954 57.260 58.200 0.024 0.000 0.827 268 S CB 1.808 65.011 63.200 0.005 0.000 1.130 268 S HN 0.776 nan 8.310 nan 0.000 0.467 269 L N 2.426 123.677 121.223 0.046 0.000 2.455 269 L HA 0.403 4.742 4.340 -0.000 0.000 0.272 269 L C 0.299 177.190 176.870 0.035 0.000 1.174 269 L CA 0.090 54.972 54.840 0.070 0.000 0.869 269 L CB 0.029 42.133 42.059 0.076 0.000 1.130 269 L HN 0.630 nan 8.230 nan 0.000 0.474 270 N N 2.879 121.617 118.700 0.062 0.000 2.525 270 N HA 0.539 5.279 4.740 -0.000 0.000 0.270 270 N C -1.129 174.326 175.510 -0.091 0.000 1.321 270 N CA -0.664 52.344 53.050 -0.070 0.000 0.797 270 N CB 2.316 40.716 38.487 -0.146 0.000 1.529 270 N HN 0.314 nan 8.380 nan 0.000 0.491 271 L N 1.648 122.653 121.223 -0.363 0.000 2.334 271 L HA 0.458 4.798 4.340 -0.000 0.000 0.277 271 L C -0.913 175.587 176.870 -0.616 0.000 1.075 271 L CA -0.387 54.211 54.840 -0.403 0.000 0.804 271 L CB 0.273 41.993 42.059 -0.565 0.000 1.174 271 L HN 0.432 nan 8.230 nan 0.000 0.438 272 Y N 1.173 121.120 120.300 -0.588 0.000 2.576 272 Y HA 0.649 5.199 4.550 -0.000 0.000 0.346 272 Y C -0.237 175.170 175.900 -0.822 0.000 1.018 272 Y CA -0.948 56.742 58.100 -0.684 0.000 1.050 272 Y CB 2.211 40.197 38.460 -0.790 0.000 1.280 272 Y HN 0.096 nan 8.280 nan 0.000 0.474 273 V N 3.176 122.891 119.914 -0.331 0.000 2.709 273 V HA 0.453 4.573 4.120 -0.000 0.000 0.308 273 V C -0.676 175.449 176.094 0.051 0.000 1.062 273 V CA -0.970 61.249 62.300 -0.135 0.000 0.901 273 V CB 2.018 33.859 31.823 0.029 0.000 1.003 273 V HN 0.812 nan 8.190 nan 0.000 0.425 274 M N 3.268 123.012 119.600 0.240 0.000 2.205 274 M HA 0.519 4.999 4.480 -0.000 0.000 0.344 274 M C -0.627 175.777 176.300 0.173 0.000 1.085 274 M CA -0.529 54.928 55.300 0.262 0.000 1.001 274 M CB 1.265 34.077 32.600 0.353 0.000 1.626 274 M HN 0.823 nan 8.290 nan 0.000 0.442 275 D N 3.949 124.424 120.400 0.125 0.000 2.339 275 D HA 0.149 4.789 4.640 -0.000 0.000 0.256 275 D C 0.776 177.128 176.300 0.086 0.000 1.214 275 D CA -0.015 54.041 54.000 0.093 0.000 0.877 275 D CB 0.649 41.491 40.800 0.070 0.000 1.111 275 D HN 0.726 nan 8.370 nan 0.000 0.478 276 L N 3.664 124.939 121.223 0.087 0.000 2.141 276 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 276 L C 2.381 179.288 176.870 0.061 0.000 1.094 276 L CA 1.103 55.994 54.840 0.085 0.000 0.763 276 L CB -0.403 41.728 42.059 0.120 0.000 0.908 276 L HN 0.571 nan 8.230 nan 0.000 0.437 277 A N 0.028 122.879 122.820 0.052 0.000 1.902 277 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 277 A C 2.491 180.094 177.584 0.032 0.000 1.181 277 A CA 2.151 54.211 52.037 0.038 0.000 0.623 277 A CB -0.521 18.498 19.000 0.032 0.000 0.818 277 A HN 0.504 nan 8.150 nan 0.000 0.443 278 S N -3.014 112.708 115.700 0.037 0.000 2.492 278 S HA 0.399 4.869 4.470 -0.000 0.000 0.218 278 S C 1.535 176.156 174.600 0.034 0.000 1.016 278 S CA 1.168 59.387 58.200 0.032 0.000 0.916 278 S CB 0.082 63.302 63.200 0.034 0.000 0.791 278 S HN 1.933 nan 8.310 nan 0.000 0.513 279 G N 0.902 109.728 108.800 0.044 0.000 2.179 279 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 279 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 279 G C -0.015 174.926 174.900 0.069 0.000 0.977 279 G CA 0.319 45.446 45.100 0.046 0.000 0.641 279 G HN 0.838 nan 8.290 nan 0.000 0.533 280 Q N 0.802 120.644 119.800 0.071 0.000 2.289 280 Q HA 0.575 4.915 4.340 -0.000 0.000 0.273 280 Q C 0.247 176.314 176.000 0.110 0.000 1.029 280 Q CA 0.032 55.883 55.803 0.079 0.000 0.896 280 Q CB 0.209 28.983 28.738 0.059 0.000 1.182 280 Q HN 0.475 nan 8.270 nan 0.000 0.385 281 I N 4.434 125.083 120.570 0.131 0.000 2.377 281 I HA 0.465 4.635 4.170 -0.000 0.000 0.293 281 I C 0.110 176.298 176.117 0.118 0.000 0.987 281 I CA -0.719 60.683 61.300 0.170 0.000 1.185 281 I CB 1.558 39.706 38.000 0.246 0.000 1.341 281 I HN 0.567 nan 8.210 nan 0.000 0.455 282 R N 5.153 125.703 120.500 0.083 0.000 2.599 282 R HA 0.349 4.689 4.340 -0.000 0.000 0.295 282 R C -0.797 175.467 176.300 -0.060 0.000 0.963 282 R CA -0.660 55.452 56.100 0.019 0.000 0.883 282 R CB 1.835 32.129 30.300 -0.010 0.000 1.171 282 R HN 0.619 nan 8.270 nan 0.000 0.450 283 Q N 2.609 122.314 119.800 -0.159 0.000 2.288 283 Q HA 0.170 4.510 4.340 -0.000 0.000 0.254 283 Q C -0.337 175.398 176.000 -0.442 0.000 0.932 283 Q CA -0.314 55.162 55.803 -0.545 0.000 0.902 283 Q CB 1.615 30.038 28.738 -0.526 0.000 1.203 283 Q HN 0.583 nan 8.270 nan 0.000 0.415 284 V N 2.144 121.726 119.914 -0.554 0.000 2.908 284 V HA 0.059 4.179 4.120 -0.000 0.000 0.240 284 V C 0.669 176.533 176.094 -0.384 0.000 1.117 284 V CA 1.271 63.334 62.300 -0.395 0.000 1.133 284 V CB 0.966 32.553 31.823 -0.392 0.000 0.857 284 V HN 0.962 nan 8.190 nan 0.000 0.478 285 T N -1.004 113.266 114.554 -0.473 0.000 2.912 285 T HA 0.554 4.904 4.350 -0.000 0.000 0.288 285 T C -0.530 173.972 174.700 -0.329 0.000 1.030 285 T CA -0.220 61.663 62.100 -0.362 0.000 1.020 285 T CB 1.994 70.634 68.868 -0.380 0.000 1.056 285 T HN 0.344 nan 8.240 nan 0.000 0.480 286 D N -0.116 120.155 120.400 -0.214 0.000 2.760 286 D HA 0.238 4.878 4.640 -0.000 0.000 0.314 286 D C 0.771 177.008 176.300 -0.104 0.000 1.464 286 D CA -0.497 53.405 54.000 -0.163 0.000 0.797 286 D CB -0.260 40.456 40.800 -0.140 0.000 1.149 286 D HN 0.832 nan 8.370 nan 0.000 0.455 287 G N 0.258 108.998 108.800 -0.100 0.000 2.606 287 G HA2 0.202 4.162 3.960 -0.000 0.000 0.252 287 G HA3 0.202 4.162 3.960 -0.000 0.000 0.252 287 G C 0.668 175.537 174.900 -0.051 0.000 1.206 287 G CA -0.770 44.289 45.100 -0.067 0.000 0.861 287 G HN 0.108 nan 8.290 nan 0.000 0.561 288 R N -0.210 120.268 120.500 -0.037 0.000 2.275 288 R HA 0.056 4.396 4.340 -0.000 0.000 0.199 288 R C 1.646 177.931 176.300 -0.025 0.000 0.989 288 R CA 0.527 56.612 56.100 -0.025 0.000 1.016 288 R CB 0.017 30.307 30.300 -0.018 0.000 0.918 288 R HN 0.586 nan 8.270 nan 0.000 0.473 289 S N 0.554 116.233 115.700 -0.036 0.000 2.617 289 S HA 0.145 4.615 4.470 -0.000 0.000 0.259 289 S C 0.090 174.670 174.600 -0.032 0.000 1.301 289 S CA -0.834 57.342 58.200 -0.040 0.000 0.984 289 S CB 0.797 63.955 63.200 -0.070 0.000 0.954 289 S HN 0.057 nan 8.310 nan 0.000 0.572 290 N N 2.232 120.917 118.700 -0.025 0.000 2.455 290 N HA 0.319 5.059 4.740 -0.000 0.000 0.280 290 N C -1.126 174.389 175.510 0.009 0.000 1.055 290 N CA -0.316 52.732 53.050 -0.004 0.000 0.961 290 N CB 0.572 39.062 38.487 0.004 0.000 1.121 290 N HN 0.580 nan 8.380 nan 0.000 0.476 291 N N 0.907 119.626 118.700 0.032 0.000 2.461 291 N HA 0.335 5.074 4.740 -0.000 0.000 0.284 291 N C -0.650 174.906 175.510 0.077 0.000 1.049 291 N CA -0.222 52.890 53.050 0.105 0.000 0.889 291 N CB 2.541 41.032 38.487 0.006 0.000 1.365 291 N HN 0.458 nan 8.380 nan 0.000 0.499 292 T N -0.396 114.258 114.554 0.168 0.000 2.648 292 T HA 0.213 4.563 4.350 -0.000 0.000 0.304 292 T C -1.265 173.530 174.700 0.158 0.000 1.312 292 T CA -0.241 61.933 62.100 0.122 0.000 1.023 292 T CB 0.483 69.421 68.868 0.115 0.000 1.612 292 T HN 0.600 nan 8.240 nan 0.000 0.487 293 E N 0.937 121.215 120.200 0.130 0.000 2.252 293 E HA -0.114 4.236 4.350 -0.000 0.000 0.218 293 E C -2.541 174.128 176.600 0.116 0.000 1.253 293 E CA 0.260 56.736 56.400 0.127 0.000 0.705 293 E CB -1.018 28.754 29.700 0.119 0.000 1.172 293 E HN 0.386 nan 8.360 nan 0.000 0.369 294 P HA 0.056 nan 4.420 nan 0.000 0.275 294 P C -0.260 177.015 177.300 -0.042 0.000 1.228 294 P CA 0.183 63.270 63.100 -0.021 0.000 0.786 294 P CB 1.763 33.352 31.700 -0.185 0.000 0.927 295 T N 2.116 116.620 114.554 -0.083 0.000 2.933 295 T HA 0.474 4.824 4.350 -0.000 0.000 0.305 295 T C -1.566 173.068 174.700 -0.110 0.000 1.092 295 T CA -0.557 61.514 62.100 -0.049 0.000 1.008 295 T CB 0.407 69.268 68.868 -0.013 0.000 1.102 295 T HN 0.210 nan 8.240 nan 0.000 0.469 296 W N 3.614 124.934 121.300 0.033 0.000 2.316 296 W HA 0.602 5.262 4.660 -0.000 0.000 0.321 296 W C 0.004 176.504 176.519 -0.032 0.000 1.203 296 W CA -0.803 56.585 57.345 0.072 0.000 1.214 296 W CB 0.434 29.954 29.460 0.100 0.000 1.169 296 W HN 0.523 nan 8.180 nan 0.000 0.561 297 F N 3.246 123.377 119.950 0.302 0.000 2.444 297 F HA 0.145 4.672 4.527 -0.000 0.000 0.331 297 F C -0.865 175.054 175.800 0.198 0.000 1.167 297 F CA -1.781 56.334 58.000 0.193 0.000 1.262 297 F CB -0.064 39.023 39.000 0.145 0.000 1.196 297 F HN 0.224 nan 8.300 nan 0.000 0.583 298 P HA -0.160 nan 4.420 nan 0.000 0.223 298 P C 0.531 177.922 177.300 0.152 0.000 1.144 298 P CA 1.281 64.481 63.100 0.167 0.000 0.783 298 P CB -0.084 31.689 31.700 0.122 0.000 0.771 299 D N -2.361 118.162 120.400 0.205 0.000 2.349 299 D HA -0.004 4.636 4.640 -0.000 0.000 0.224 299 D C 0.387 176.764 176.300 0.129 0.000 1.029 299 D CA 0.215 54.301 54.000 0.143 0.000 0.879 299 D CB -0.876 40.001 40.800 0.130 0.000 0.906 299 D HN -0.145 nan 8.370 nan 0.000 0.528 300 S N -0.827 114.971 115.700 0.163 0.000 3.521 300 S HA -0.204 4.266 4.470 -0.000 0.000 0.328 300 S C 0.879 175.625 174.600 0.244 0.000 1.165 300 S CA 1.113 59.318 58.200 0.008 0.000 0.941 300 S CB -1.072 61.995 63.200 -0.221 0.000 0.951 300 S HN 0.474 nan 8.310 nan 0.000 0.539 301 Q N -0.500 119.532 119.800 0.386 0.000 2.384 301 Q HA 0.263 4.603 4.340 -0.000 0.000 0.264 301 Q C 0.244 176.420 176.000 0.294 0.000 0.825 301 Q CA 0.267 56.261 55.803 0.318 0.000 0.984 301 Q CB 0.271 29.101 28.738 0.152 0.000 1.183 301 Q HN 0.573 nan 8.270 nan 0.000 0.537 302 N N 0.942 119.821 118.700 0.298 0.000 2.405 302 N HA 0.489 5.229 4.740 -0.000 0.000 0.299 302 N C -0.780 174.918 175.510 0.313 0.000 1.075 302 N CA -0.214 52.938 53.050 0.170 0.000 0.884 302 N CB 2.050 40.472 38.487 -0.108 0.000 1.194 302 N HN -0.011 nan 8.380 nan 0.000 0.491 303 L N 1.212 122.524 121.223 0.148 0.000 2.346 303 L HA 0.650 4.990 4.340 -0.000 0.000 0.274 303 L C 0.181 177.291 176.870 0.400 0.000 1.007 303 L CA -0.902 53.986 54.840 0.082 0.000 0.818 303 L CB 1.816 43.711 42.059 -0.274 0.000 1.284 303 L HN 0.458 nan 8.230 nan 0.000 0.424 304 A N 2.741 125.768 122.820 0.344 0.000 2.295 304 A HA 0.911 5.231 4.320 -0.000 0.000 0.318 304 A C -0.888 176.860 177.584 0.273 0.000 1.134 304 A CA -0.238 51.976 52.037 0.296 0.000 0.827 304 A CB 0.827 19.880 19.000 0.088 0.000 1.136 304 A HN 0.628 nan 8.150 nan 0.000 0.493 305 F N -1.685 118.283 119.950 0.030 0.000 2.773 305 F HA 0.637 5.164 4.527 -0.000 0.000 0.314 305 F C -0.635 175.184 175.800 0.032 0.000 1.160 305 F CA -0.777 57.221 58.000 -0.004 0.000 0.920 305 F CB 0.801 39.770 39.000 -0.052 0.000 1.323 305 F HN 0.360 nan 8.300 nan 0.000 0.457 306 T N 1.816 116.419 114.554 0.081 0.000 2.806 306 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 306 T C -0.645 174.041 174.700 -0.024 0.000 0.966 306 T CA -0.356 61.731 62.100 -0.020 0.000 1.060 306 T CB 1.099 69.993 68.868 0.043 0.000 0.927 306 T HN 0.783 nan 8.240 nan 0.000 0.485 307 S N 1.222 116.809 115.700 -0.189 0.000 2.548 307 S HA 0.433 4.903 4.470 -0.000 0.000 0.286 307 S C -0.333 174.172 174.600 -0.158 0.000 1.098 307 S CA -0.888 57.163 58.200 -0.248 0.000 0.930 307 S CB 1.166 63.913 63.200 -0.754 0.000 1.070 307 S HN 0.779 nan 8.310 nan 0.000 0.480 308 D N 2.184 122.519 120.400 -0.109 0.000 2.388 308 D HA 0.074 4.714 4.640 -0.000 0.000 0.221 308 D C 1.154 177.416 176.300 -0.062 0.000 1.133 308 D CA -0.130 53.835 54.000 -0.058 0.000 0.831 308 D CB -0.035 40.747 40.800 -0.031 0.000 0.962 308 D HN 0.590 nan 8.370 nan 0.000 0.502 309 Q N 0.405 120.126 119.800 -0.133 0.000 2.197 309 Q HA -0.192 4.148 4.340 -0.000 0.000 0.207 309 Q C 1.454 177.459 176.000 0.008 0.000 0.984 309 Q CA 1.764 57.514 55.803 -0.089 0.000 0.869 309 Q CB -0.030 28.598 28.738 -0.184 0.000 0.906 309 Q HN 0.414 nan 8.270 nan 0.000 0.426 310 A N -1.112 121.741 122.820 0.056 0.000 2.275 310 A HA 0.408 4.728 4.320 -0.000 0.000 0.212 310 A C 1.026 178.633 177.584 0.038 0.000 1.201 310 A CA 0.961 53.042 52.037 0.073 0.000 0.843 310 A CB 0.261 19.315 19.000 0.091 0.000 0.873 310 A HN 0.598 nan 8.150 nan 0.000 0.492 311 G N -0.340 108.472 108.800 0.019 0.000 2.344 311 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 311 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 311 G C -0.102 174.799 174.900 0.002 0.000 1.293 311 G CA -0.417 44.690 45.100 0.011 0.000 1.305 311 G HN 0.447 nan 8.290 nan 0.000 0.484 312 R N 2.010 122.511 120.500 0.001 0.000 2.643 312 R HA 0.392 4.731 4.340 -0.000 0.000 0.270 312 R C -2.277 174.017 176.300 -0.010 0.000 1.061 312 R CA -0.956 55.140 56.100 -0.007 0.000 1.107 312 R CB 0.198 30.493 30.300 -0.009 0.000 0.999 312 R HN 0.220 nan 8.270 nan 0.000 0.460 313 P HA -0.104 nan 4.420 nan 0.000 0.264 313 P C -0.716 176.570 177.300 -0.024 0.000 1.179 313 P CA 0.689 63.780 63.100 -0.016 0.000 0.763 313 P CB 0.631 32.320 31.700 -0.018 0.000 0.806 314 Q N 0.667 120.464 119.800 -0.004 0.000 2.553 314 Q HA 0.459 4.799 4.340 -0.000 0.000 0.293 314 Q C -1.087 174.889 176.000 -0.040 0.000 1.038 314 Q CA -0.976 54.788 55.803 -0.066 0.000 0.777 314 Q CB 1.900 30.542 28.738 -0.160 0.000 1.487 314 Q HN 0.073 nan 8.270 nan 0.000 0.426 315 V N 1.655 121.470 119.914 -0.165 0.000 2.465 315 V HA 0.377 4.497 4.120 -0.000 0.000 0.279 315 V C -0.925 174.984 176.094 -0.308 0.000 1.045 315 V CA -0.276 61.918 62.300 -0.176 0.000 0.938 315 V CB 0.306 32.044 31.823 -0.141 0.000 0.986 315 V HN 0.546 nan 8.190 nan 0.000 0.467 316 Y N 3.130 123.058 120.300 -0.621 0.000 2.587 316 Y HA 0.687 5.237 4.550 -0.000 0.000 0.337 316 Y C 0.212 175.870 175.900 -0.403 0.000 1.065 316 Y CA -1.369 56.358 58.100 -0.623 0.000 1.126 316 Y CB 1.921 39.800 38.460 -0.967 0.000 1.279 316 Y HN 0.653 nan 8.280 nan 0.000 0.489 317 K N 0.027 120.461 120.400 0.056 0.000 2.375 317 K HA 0.867 5.187 4.320 -0.000 0.000 0.249 317 K C -2.088 174.692 176.600 0.300 0.000 0.942 317 K CA -0.966 55.459 56.287 0.231 0.000 0.806 317 K CB 2.644 35.224 32.500 0.133 0.000 1.227 317 K HN 0.456 nan 8.250 nan 0.000 0.430 318 V N 1.602 121.689 119.914 0.288 0.000 2.932 318 V HA 0.351 4.471 4.120 -0.000 0.000 0.307 318 V C -1.574 174.541 176.094 0.034 0.000 1.147 318 V CA -0.864 61.529 62.300 0.155 0.000 0.951 318 V CB 2.174 34.072 31.823 0.125 0.000 1.031 318 V HN 1.003 nan 8.190 nan 0.000 0.426 319 N N 3.580 122.283 118.700 0.004 0.000 2.488 319 N HA 0.321 5.061 4.740 -0.000 0.000 0.274 319 N C 1.364 176.860 175.510 -0.023 0.000 1.111 319 N CA -0.061 52.987 53.050 -0.004 0.000 0.974 319 N CB 1.166 39.651 38.487 -0.004 0.000 1.089 319 N HN 0.742 nan 8.380 nan 0.000 0.465 320 I N 0.547 121.114 120.570 -0.005 0.000 2.916 320 I HA -0.082 4.088 4.170 -0.000 0.000 0.267 320 I C 0.531 176.635 176.117 -0.023 0.000 1.263 320 I CA 0.896 62.177 61.300 -0.030 0.000 1.471 320 I CB -0.173 37.853 38.000 0.043 0.000 1.089 320 I HN 0.481 nan 8.210 nan 0.000 0.468 321 N N 1.528 120.227 118.700 -0.002 0.000 2.405 321 N HA 0.232 4.972 4.740 -0.000 0.000 0.175 321 N C 0.826 176.324 175.510 -0.020 0.000 1.051 321 N CA 1.040 54.088 53.050 -0.004 0.000 0.899 321 N CB 0.939 39.433 38.487 0.012 0.000 1.000 321 N HN 0.600 nan 8.380 nan 0.000 0.451 322 G N -1.394 107.391 108.800 -0.024 0.000 2.340 322 G HA2 0.434 4.394 3.960 -0.000 0.000 0.300 322 G HA3 0.434 4.394 3.960 -0.000 0.000 0.300 322 G C -0.907 173.983 174.900 -0.017 0.000 1.488 322 G CA -0.086 44.998 45.100 -0.027 0.000 0.878 322 G HN 0.381 nan 8.290 nan 0.000 0.618 323 G N -1.397 107.394 108.800 -0.015 0.000 2.674 323 G HA2 0.547 4.507 3.960 -0.000 0.000 0.686 323 G HA3 0.547 4.507 3.960 -0.000 0.000 0.686 323 G C 0.137 175.043 174.900 0.010 0.000 1.195 323 G CA 0.559 45.660 45.100 0.001 0.000 0.776 323 G HN 2.409 nan 8.290 nan 0.000 0.654 324 A N 2.643 125.479 122.820 0.027 0.000 2.388 324 A HA 0.785 5.105 4.320 -0.000 0.000 0.257 324 A C -1.176 176.467 177.584 0.100 0.000 1.095 324 A CA -0.602 51.465 52.037 0.049 0.000 0.791 324 A CB -0.167 18.865 19.000 0.053 0.000 1.029 324 A HN 0.739 nan 8.150 nan 0.000 0.489 325 P HA 0.142 nan 4.420 nan 0.000 0.268 325 P C -0.592 176.879 177.300 0.285 0.000 1.208 325 P CA 0.090 63.360 63.100 0.283 0.000 0.777 325 P CB 0.383 32.349 31.700 0.444 0.000 0.875 326 Q N 1.702 121.642 119.800 0.233 0.000 2.330 326 Q HA 0.284 4.624 4.340 -0.000 0.000 0.269 326 Q C -0.401 175.508 176.000 -0.152 0.000 1.022 326 Q CA -0.985 54.880 55.803 0.104 0.000 0.796 326 Q CB 1.260 30.044 28.738 0.077 0.000 1.271 326 Q HN 0.275 nan 8.270 nan 0.000 0.450 327 R N 3.872 124.053 120.500 -0.533 0.000 2.522 327 R HA 0.066 4.406 4.340 -0.000 0.000 0.284 327 R C 0.747 176.659 176.300 -0.646 0.000 1.032 327 R CA 0.541 55.887 56.100 -1.256 0.000 1.049 327 R CB 0.265 29.630 30.300 -1.559 0.000 0.956 327 R HN 0.823 nan 8.270 nan 0.000 0.422 328 I N -0.389 119.794 120.570 -0.644 0.000 4.403 328 I HA 0.201 4.371 4.170 -0.000 0.000 0.331 328 I C -0.127 175.777 176.117 -0.356 0.000 1.327 328 I CA -0.549 60.579 61.300 -0.287 0.000 1.175 328 I CB 0.902 38.860 38.000 -0.070 0.000 1.165 328 I HN 0.419 nan 8.210 nan 0.000 0.413 329 T N -2.446 111.744 114.554 -0.607 0.000 2.753 329 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 329 T C -0.583 173.763 174.700 -0.591 0.000 0.981 329 T CA -0.438 61.413 62.100 -0.415 0.000 0.956 329 T CB 0.429 69.137 68.868 -0.265 0.000 0.936 329 T HN 0.450 nan 8.240 nan 0.000 0.463 330 W N 1.241 122.499 121.300 -0.071 0.000 3.008 330 W HA 0.315 4.975 4.660 -0.000 0.000 0.355 330 W C 0.569 177.066 176.519 -0.036 0.000 1.095 330 W CA -0.714 56.595 57.345 -0.060 0.000 1.738 330 W CB 0.622 30.047 29.460 -0.058 0.000 1.091 330 W HN 0.554 nan 8.180 nan 0.000 0.574 331 E N 0.660 120.938 120.200 0.130 0.000 2.151 331 E HA 0.527 4.877 4.350 -0.000 0.000 0.275 331 E C 0.383 177.005 176.600 0.036 0.000 0.936 331 E CA -0.331 56.119 56.400 0.084 0.000 0.777 331 E CB 1.397 31.141 29.700 0.072 0.000 1.108 331 E HN 0.019 nan 8.360 nan 0.000 0.401 332 G N 1.386 110.207 108.800 0.036 0.000 2.663 332 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.686 332 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.686 332 G C 0.603 175.508 174.900 0.008 0.000 1.246 332 G CA -0.199 44.912 45.100 0.019 0.000 0.795 332 G HN 0.590 nan 8.290 nan 0.000 0.627 333 S N -0.505 115.199 115.700 0.006 0.000 2.428 333 S HA 0.168 4.638 4.470 -0.000 0.000 0.230 333 S C 0.840 175.431 174.600 -0.014 0.000 1.014 333 S CA 2.015 60.216 58.200 0.002 0.000 0.957 333 S CB 0.224 63.427 63.200 0.005 0.000 0.784 333 S HN 1.430 nan 8.310 nan 0.000 0.499 334 Q N 0.065 119.852 119.800 -0.023 0.000 2.378 334 Q HA 0.434 4.774 4.340 -0.000 0.000 0.262 334 Q C -2.269 173.708 176.000 -0.040 0.000 0.978 334 Q CA -0.638 55.145 55.803 -0.033 0.000 0.918 334 Q CB 1.178 29.900 28.738 -0.027 0.000 1.415 334 Q HN 0.369 nan 8.270 nan 0.000 0.409 335 N N 3.160 121.829 118.700 -0.052 0.000 2.324 335 N HA 0.380 5.120 4.740 -0.000 0.000 0.285 335 N C -1.688 173.793 175.510 -0.048 0.000 1.076 335 N CA -0.385 52.633 53.050 -0.052 0.000 0.864 335 N CB 2.378 40.822 38.487 -0.072 0.000 1.632 335 N HN 0.739 nan 8.380 nan 0.000 0.478 336 Q N -0.454 119.326 119.800 -0.033 0.000 2.738 336 Q HA 0.308 4.648 4.340 -0.000 0.000 0.301 336 Q C -1.602 174.398 176.000 0.000 0.000 0.901 336 Q CA -0.578 55.214 55.803 -0.018 0.000 0.756 336 Q CB 1.438 30.171 28.738 -0.010 0.000 1.463 336 Q HN 0.346 nan 8.270 nan 0.000 0.432 337 D N -0.681 119.732 120.400 0.023 0.000 2.760 337 D HA -0.151 4.489 4.640 -0.000 0.000 0.244 337 D C -0.995 175.331 176.300 0.044 0.000 1.123 337 D CA 1.227 55.256 54.000 0.049 0.000 0.719 337 D CB -0.957 39.875 40.800 0.053 0.000 1.045 337 D HN 0.887 nan 8.370 nan 0.000 0.426 338 A N 1.080 123.917 122.820 0.028 0.000 2.287 338 A HA 0.572 4.892 4.320 -0.000 0.000 0.273 338 A C 0.080 177.670 177.584 0.010 0.000 1.091 338 A CA -0.127 51.914 52.037 0.006 0.000 0.817 338 A CB 0.944 19.928 19.000 -0.026 0.000 1.069 338 A HN 0.350 nan 8.150 nan 0.000 0.492 339 D N -0.017 120.373 120.400 -0.016 0.000 2.686 339 D HA 0.445 5.085 4.640 -0.000 0.000 0.249 339 D C -1.109 175.106 176.300 -0.142 0.000 1.260 339 D CA -0.143 53.837 54.000 -0.033 0.000 0.910 339 D CB 1.587 42.404 40.800 0.030 0.000 1.323 339 D HN 0.256 nan 8.370 nan 0.000 0.561 340 V N 3.229 123.008 119.914 -0.226 0.000 2.583 340 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 340 V C 0.850 176.715 176.094 -0.382 0.000 1.051 340 V CA -0.597 61.470 62.300 -0.388 0.000 1.010 340 V CB 1.230 32.670 31.823 -0.638 0.000 0.988 340 V HN 0.754 nan 8.190 nan 0.000 0.478 341 S N 3.302 118.648 115.700 -0.589 0.000 2.580 341 S HA 0.041 4.511 4.470 -0.000 0.000 0.266 341 S C 1.464 175.870 174.600 -0.325 0.000 1.354 341 S CA 0.064 57.887 58.200 -0.629 0.000 1.008 341 S CB 0.894 63.345 63.200 -1.249 0.000 0.898 341 S HN 1.047 nan 8.310 nan 0.000 0.555 342 S N 0.410 115.973 115.700 -0.229 0.000 2.419 342 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 342 S C 1.061 175.632 174.600 -0.048 0.000 1.016 342 S CA 0.987 59.120 58.200 -0.112 0.000 0.974 342 S CB -0.793 62.345 63.200 -0.103 0.000 0.786 342 S HN 0.929 nan 8.310 nan 0.000 0.492 343 D N 0.228 120.596 120.400 -0.053 0.000 2.339 343 D HA 0.253 4.893 4.640 -0.000 0.000 0.217 343 D C 1.453 177.769 176.300 0.027 0.000 1.050 343 D CA 0.559 54.567 54.000 0.013 0.000 0.856 343 D CB -0.739 40.092 40.800 0.051 0.000 0.922 343 D HN 0.541 nan 8.370 nan 0.000 0.518 344 G N 0.868 109.650 108.800 -0.030 0.000 2.168 344 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 344 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 344 G C 1.238 176.181 174.900 0.072 0.000 0.977 344 G CA 0.581 45.704 45.100 0.040 0.000 0.659 344 G HN 0.311 nan 8.290 nan 0.000 0.533 345 K N -0.689 119.747 120.400 0.061 0.000 2.217 345 K HA 0.226 4.546 4.320 -0.000 0.000 0.202 345 K C 0.951 177.710 176.600 0.264 0.000 1.051 345 K CA 1.496 57.892 56.287 0.183 0.000 0.952 345 K CB -0.179 32.475 32.500 0.256 0.000 0.736 345 K HN 0.929 nan 8.250 nan 0.000 0.453 346 F N -0.958 119.007 119.950 0.025 0.000 2.711 346 F HA 0.532 5.059 4.527 -0.000 0.000 0.313 346 F C -1.005 174.779 175.800 -0.027 0.000 1.141 346 F CA -1.794 56.212 58.000 0.010 0.000 0.941 346 F CB 0.890 39.893 39.000 0.004 0.000 1.349 346 F HN -0.185 nan 8.300 nan 0.000 0.464 347 M N 2.387 122.034 119.600 0.078 0.000 2.619 347 M HA 0.866 5.346 4.480 -0.000 0.000 0.297 347 M C -1.457 174.930 176.300 0.144 0.000 1.229 347 M CA -1.115 54.153 55.300 -0.053 0.000 0.860 347 M CB 2.332 34.879 32.600 -0.089 0.000 1.741 347 M HN 0.851 nan 8.290 nan 0.000 0.462 348 V N 0.712 120.675 119.914 0.081 0.000 2.850 348 V HA 0.902 5.022 4.120 -0.000 0.000 0.315 348 V C -0.333 175.784 176.094 0.038 0.000 1.064 348 V CA -0.679 61.680 62.300 0.098 0.000 0.979 348 V CB 1.700 33.597 31.823 0.123 0.000 1.039 348 V HN 1.203 nan 8.190 nan 0.000 0.452 349 M N 1.296 120.910 119.600 0.023 0.000 3.012 349 M HA 0.730 5.210 4.480 -0.000 0.000 0.272 349 M C -2.019 174.274 176.300 -0.011 0.000 1.187 349 M CA -0.828 54.476 55.300 0.006 0.000 0.813 349 M CB 1.861 34.459 32.600 -0.004 0.000 1.626 349 M HN 0.363 nan 8.290 nan 0.000 0.507 350 V N 1.964 121.869 119.914 -0.015 0.000 2.350 350 V HA 0.528 4.648 4.120 -0.000 0.000 0.276 350 V C -0.413 175.663 176.094 -0.031 0.000 1.028 350 V CA -0.266 62.016 62.300 -0.030 0.000 0.860 350 V CB 1.304 33.109 31.823 -0.030 0.000 0.990 350 V HN 0.814 nan 8.190 nan 0.000 0.453 351 S N 3.330 119.014 115.700 -0.027 0.000 2.449 351 S HA 0.549 5.019 4.470 -0.000 0.000 0.310 351 S C -0.116 174.464 174.600 -0.034 0.000 1.096 351 S CA -0.511 57.677 58.200 -0.020 0.000 1.095 351 S CB 1.504 64.706 63.200 0.004 0.000 1.007 351 S HN 0.716 nan 8.310 nan 0.000 0.474 352 S N 4.134 119.810 115.700 -0.040 0.000 2.449 352 S HA 0.584 5.054 4.470 -0.000 0.000 0.310 352 S C -0.505 174.079 174.600 -0.026 0.000 1.096 352 S CA -0.938 57.230 58.200 -0.054 0.000 1.095 352 S CB 0.558 63.723 63.200 -0.059 0.000 1.007 352 S HN 0.689 nan 8.310 nan 0.000 0.474 353 N N 0.679 119.368 118.700 -0.018 0.000 2.367 353 N HA 0.352 5.092 4.740 -0.000 0.000 0.278 353 N C 0.136 175.654 175.510 0.012 0.000 1.117 353 N CA -0.407 52.647 53.050 0.006 0.000 0.867 353 N CB 1.969 40.470 38.487 0.024 0.000 1.649 353 N HN 0.869 nan 8.380 nan 0.000 0.479 354 G N 0.573 109.382 108.800 0.015 0.000 2.305 354 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.287 354 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.287 354 G C 0.963 175.876 174.900 0.023 0.000 1.036 354 G CA 1.212 46.326 45.100 0.023 0.000 0.887 354 G HN 1.478 nan 8.290 nan 0.000 0.505 355 G N -2.170 106.636 108.800 0.010 0.000 2.162 355 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 355 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 355 G C 0.201 175.106 174.900 0.008 0.000 0.976 355 G CA 1.275 46.383 45.100 0.013 0.000 0.655 355 G HN 1.183 nan 8.290 nan 0.000 0.533 356 Q N -0.613 119.170 119.800 -0.028 0.000 2.399 356 Q HA 0.654 4.994 4.340 -0.000 0.000 0.276 356 Q C -0.130 175.716 176.000 -0.256 0.000 1.098 356 Q CA -0.785 54.946 55.803 -0.119 0.000 0.827 356 Q CB 1.603 30.294 28.738 -0.078 0.000 1.386 356 Q HN 0.591 nan 8.270 nan 0.000 0.443 357 Q N 0.753 120.275 119.800 -0.464 0.000 2.305 357 Q HA 0.579 4.919 4.340 -0.000 0.000 0.271 357 Q C -1.560 174.099 176.000 -0.569 0.000 1.046 357 Q CA -0.649 54.916 55.803 -0.397 0.000 0.798 357 Q CB 1.876 30.476 28.738 -0.231 0.000 1.286 357 Q HN 0.704 nan 8.270 nan 0.000 0.435 358 H N 0.894 119.933 119.070 -0.053 0.000 2.946 358 H HA 0.476 5.032 4.556 -0.000 0.000 0.365 358 H C -0.532 174.721 175.328 -0.126 0.000 1.197 358 H CA -1.111 54.889 56.048 -0.080 0.000 1.131 358 H CB 1.595 31.328 29.762 -0.047 0.000 1.849 358 H HN 0.513 nan 8.280 nan 0.000 0.555 359 I N 1.724 122.246 120.570 -0.079 0.000 2.496 359 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 359 I C 0.458 176.536 176.117 -0.065 0.000 1.080 359 I CA 0.114 61.318 61.300 -0.161 0.000 1.404 359 I CB 0.132 37.887 38.000 -0.408 0.000 1.403 359 I HN 0.617 nan 8.210 nan 0.000 0.539 360 A N 6.982 129.785 122.820 -0.028 0.000 2.469 360 A HA 0.694 5.014 4.320 -0.000 0.000 0.299 360 A C -0.479 177.118 177.584 0.023 0.000 1.098 360 A CA -0.802 51.234 52.037 -0.001 0.000 0.737 360 A CB 1.940 20.946 19.000 0.011 0.000 1.312 360 A HN 0.684 nan 8.150 nan 0.000 0.414 361 K N 0.879 121.298 120.400 0.031 0.000 2.221 361 K HA 0.523 4.843 4.320 -0.000 0.000 0.258 361 K C -0.908 175.733 176.600 0.069 0.000 0.944 361 K CA -0.312 56.019 56.287 0.074 0.000 0.823 361 K CB 1.407 33.917 32.500 0.016 0.000 1.113 361 K HN 0.770 nan 8.250 nan 0.000 0.431 362 Q N 3.271 123.141 119.800 0.117 0.000 2.330 362 Q HA 0.120 4.460 4.340 -0.000 0.000 0.269 362 Q C -1.355 174.735 176.000 0.150 0.000 1.022 362 Q CA -0.789 55.073 55.803 0.098 0.000 0.796 362 Q CB 1.509 30.292 28.738 0.074 0.000 1.271 362 Q HN 0.624 nan 8.270 nan 0.000 0.450 363 D N 4.422 124.890 120.400 0.114 0.000 2.371 363 D HA 0.031 4.671 4.640 -0.000 0.000 0.256 363 D C 0.641 177.021 176.300 0.132 0.000 1.193 363 D CA 0.222 54.302 54.000 0.133 0.000 0.881 363 D CB 1.040 41.886 40.800 0.076 0.000 1.143 363 D HN 0.748 nan 8.370 nan 0.000 0.473 364 L N 3.539 124.859 121.223 0.161 0.000 2.313 364 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 364 L C 2.375 179.321 176.870 0.127 0.000 1.119 364 L CA 0.649 55.582 54.840 0.155 0.000 0.809 364 L CB -0.087 42.093 42.059 0.203 0.000 0.933 364 L HN 0.458 nan 8.230 nan 0.000 0.449 365 A N -0.142 122.744 122.820 0.111 0.000 1.930 365 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 365 A C 2.316 179.940 177.584 0.066 0.000 1.176 365 A CA 1.810 53.896 52.037 0.082 0.000 0.632 365 A CB -0.486 18.558 19.000 0.073 0.000 0.819 365 A HN 0.434 nan 8.150 nan 0.000 0.445 366 T N -5.683 108.910 114.554 0.066 0.000 2.990 366 T HA 0.414 4.764 4.350 -0.000 0.000 0.250 366 T C 1.465 176.199 174.700 0.058 0.000 1.041 366 T CA 1.142 63.272 62.100 0.050 0.000 1.010 366 T CB 0.316 69.207 68.868 0.039 0.000 1.003 366 T HN 1.648 nan 8.240 nan 0.000 0.499 367 G N 1.294 110.140 108.800 0.076 0.000 2.184 367 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.264 367 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.264 367 G C 0.519 175.459 174.900 0.067 0.000 0.975 367 G CA -0.066 45.085 45.100 0.085 0.000 0.642 367 G HN 1.099 nan 8.290 nan 0.000 0.536 368 G N -0.389 108.442 108.800 0.052 0.000 2.254 368 G HA2 0.510 4.470 3.960 -0.000 0.000 0.253 368 G HA3 0.510 4.470 3.960 -0.000 0.000 0.253 368 G C 0.112 175.033 174.900 0.034 0.000 1.246 368 G CA 0.540 45.661 45.100 0.035 0.000 0.946 368 G HN 1.005 nan 8.290 nan 0.000 0.474 369 V N 3.117 123.048 119.914 0.028 0.000 2.547 369 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 369 V C 0.114 176.214 176.094 0.009 0.000 1.040 369 V CA -0.646 61.668 62.300 0.024 0.000 0.913 369 V CB 1.739 33.578 31.823 0.027 0.000 0.992 369 V HN 0.830 nan 8.190 nan 0.000 0.449 370 Q N 2.945 122.746 119.800 0.001 0.000 2.275 370 Q HA 0.502 4.842 4.340 -0.000 0.000 0.266 370 Q C -1.612 174.382 176.000 -0.009 0.000 1.002 370 Q CA -0.502 55.295 55.803 -0.010 0.000 0.761 370 Q CB 2.256 30.978 28.738 -0.027 0.000 1.255 370 Q HN 0.587 nan 8.270 nan 0.000 0.446 371 V N 6.026 125.935 119.914 -0.008 0.000 2.572 371 V HA 0.028 4.148 4.120 -0.000 0.000 0.291 371 V C 1.093 177.167 176.094 -0.034 0.000 1.039 371 V CA 0.471 62.763 62.300 -0.014 0.000 1.055 371 V CB 0.891 32.709 31.823 -0.010 0.000 0.969 371 V HN 0.885 nan 8.190 nan 0.000 0.482 372 L N 3.251 124.449 121.223 -0.042 0.000 2.388 372 L HA 0.165 4.505 4.340 -0.000 0.000 0.209 372 L C 1.138 177.979 176.870 -0.048 0.000 1.061 372 L CA 0.474 55.292 54.840 -0.037 0.000 0.834 372 L CB 0.265 42.307 42.059 -0.027 0.000 1.029 372 L HN 0.792 nan 8.230 nan 0.000 0.473 373 S N -1.416 114.228 115.700 -0.093 0.000 2.664 373 S HA 0.442 4.912 4.470 -0.000 0.000 0.304 373 S C 0.334 174.795 174.600 -0.232 0.000 1.099 373 S CA -0.045 58.107 58.200 -0.081 0.000 1.003 373 S CB 1.920 65.063 63.200 -0.096 0.000 1.092 373 S HN 0.141 nan 8.310 nan 0.000 0.525 374 S N -0.803 114.799 115.700 -0.164 0.000 2.900 374 S HA 0.235 4.705 4.470 -0.000 0.000 0.253 374 S C 0.656 175.275 174.600 0.031 0.000 1.029 374 S CA -0.030 57.979 58.200 -0.318 0.000 1.096 374 S CB -0.814 62.278 63.200 -0.181 0.000 1.067 374 S HN 1.008 nan 8.310 nan 0.000 0.610 375 T N 0.432 115.107 114.554 0.201 0.000 2.698 375 T HA 0.522 4.872 4.350 -0.000 0.000 0.295 375 T C -0.405 174.544 174.700 0.415 0.000 1.007 375 T CA -0.441 61.835 62.100 0.294 0.000 0.980 375 T CB 0.137 69.186 68.868 0.301 0.000 1.036 375 T HN 0.235 nan 8.240 nan 0.000 0.526 376 F N 1.499 121.547 119.950 0.164 0.000 2.420 376 F HA 0.517 5.044 4.527 0.000 0.000 0.342 376 F C -0.015 175.823 175.800 0.064 0.000 1.113 376 F CA -1.865 56.196 58.000 0.100 0.000 1.059 376 F CB 0.279 39.315 39.000 0.060 0.000 1.128 376 F HN 0.498 nan 8.300 nan 0.000 0.475 377 L N 4.869 125.680 121.223 -0.688 0.000 3.601 377 L HA -0.266 4.073 4.340 -0.000 0.000 0.469 377 L C -0.846 175.884 176.870 -0.233 0.000 1.294 377 L CA 0.326 54.790 54.840 -0.626 0.000 0.829 377 L CB -2.077 39.453 42.059 -0.881 0.000 1.628 377 L HN 0.579 nan 8.230 nan 0.000 0.868 378 D N 1.876 122.220 120.400 -0.094 0.000 2.389 378 D HA 0.513 5.153 4.640 -0.000 0.000 0.247 378 D C 0.827 177.134 176.300 0.011 0.000 1.128 378 D CA 0.371 54.415 54.000 0.073 0.000 0.884 378 D CB 0.796 41.618 40.800 0.038 0.000 1.194 378 D HN 0.663 nan 8.370 nan 0.000 0.441 379 E N -1.929 118.331 120.200 0.101 0.000 2.437 379 E HA 0.381 4.731 4.350 -0.000 0.000 0.280 379 E C -0.889 175.779 176.600 0.113 0.000 1.044 379 E CA -1.123 55.302 56.400 0.043 0.000 0.826 379 E CB 0.834 30.514 29.700 -0.034 0.000 1.358 379 E HN 0.215 nan 8.360 nan 0.000 0.459 380 T N -1.594 113.017 114.554 0.094 0.000 3.549 380 T HA -0.126 4.224 4.350 -0.000 0.000 0.398 380 T C -2.126 172.700 174.700 0.210 0.000 0.766 380 T CA 0.454 62.645 62.100 0.153 0.000 2.007 380 T CB -2.039 66.924 68.868 0.159 0.000 1.727 380 T HN 0.470 nan 8.240 nan 0.000 0.693 381 P HA 0.510 nan 4.420 nan 0.000 0.275 381 P C -0.290 177.143 177.300 0.223 0.000 1.227 381 P CA -0.158 63.076 63.100 0.223 0.000 0.781 381 P CB 1.618 33.389 31.700 0.119 0.000 0.906 382 S N 2.736 118.604 115.700 0.281 0.000 2.614 382 S HA 0.462 4.931 4.470 -0.000 0.000 0.288 382 S C -0.658 174.117 174.600 0.292 0.000 1.137 382 S CA -0.745 57.626 58.200 0.284 0.000 0.992 382 S CB 0.198 63.613 63.200 0.358 0.000 1.026 382 S HN 0.240 nan 8.310 nan 0.000 0.486 383 L N 4.010 125.314 121.223 0.136 0.000 2.349 383 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 383 L C 1.012 177.723 176.870 -0.265 0.000 1.115 383 L CA -0.520 54.307 54.840 -0.021 0.000 0.820 383 L CB 0.906 42.911 42.059 -0.090 0.000 1.135 383 L HN 0.826 nan 8.230 nan 0.000 0.445 384 A N 5.656 128.002 122.820 -0.789 0.000 2.507 384 A HA 0.193 4.513 4.320 -0.000 0.000 0.235 384 A C -1.349 175.705 177.584 -0.884 0.000 1.070 384 A CA -0.827 50.230 52.037 -1.633 0.000 0.768 384 A CB -0.293 17.536 19.000 -1.951 0.000 1.011 384 A HN 0.681 nan 8.150 nan 0.000 0.502 385 P HA -0.144 nan 4.420 nan 0.000 0.228 385 P C 0.539 177.447 177.300 -0.654 0.000 1.151 385 P CA 1.417 64.005 63.100 -0.855 0.000 0.770 385 P CB -0.285 30.604 31.700 -1.352 0.000 0.786 386 N N -1.310 117.115 118.700 -0.459 0.000 2.280 386 N HA 0.092 4.832 4.740 -0.000 0.000 0.192 386 N C 1.153 176.621 175.510 -0.070 0.000 1.109 386 N CA 0.430 53.418 53.050 -0.103 0.000 0.855 386 N CB -0.338 38.152 38.487 0.006 0.000 0.974 386 N HN -0.003 nan 8.380 nan 0.000 0.482 387 G N 1.135 109.849 108.800 -0.143 0.000 2.155 387 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 387 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 387 G C 0.808 175.781 174.900 0.121 0.000 0.983 387 G CA 1.001 46.142 45.100 0.068 0.000 0.676 387 G HN 0.595 nan 8.290 nan 0.000 0.528 388 T N -3.955 110.571 114.554 -0.047 0.000 3.022 388 T HA 0.647 4.997 4.350 -0.000 0.000 0.250 388 T C 0.561 175.240 174.700 -0.034 0.000 1.060 388 T CA 1.182 63.267 62.100 -0.027 0.000 1.013 388 T CB 0.447 69.309 68.868 -0.009 0.000 0.982 388 T HN 0.644 nan 8.240 nan 0.000 0.508 389 M N 1.719 121.261 119.600 -0.098 0.000 2.433 389 M HA 0.628 5.108 4.480 -0.000 0.000 0.290 389 M C -2.182 174.152 176.300 0.057 0.000 1.173 389 M CA -1.217 54.082 55.300 -0.001 0.000 0.905 389 M CB 2.466 35.042 32.600 -0.040 0.000 1.692 389 M HN -0.082 nan 8.290 nan 0.000 0.462 390 V N 5.249 125.317 119.914 0.258 0.000 2.448 390 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 390 V C -0.495 175.915 176.094 0.526 0.000 1.025 390 V CA -0.762 61.747 62.300 0.349 0.000 0.859 390 V CB 1.597 33.591 31.823 0.285 0.000 0.988 390 V HN 0.890 nan 8.190 nan 0.000 0.431 391 I N 6.086 127.004 120.570 0.580 0.000 2.392 391 I HA 0.699 4.869 4.170 -0.000 0.000 0.295 391 I C -0.776 175.584 176.117 0.405 0.000 0.985 391 I CA -0.291 61.259 61.300 0.417 0.000 1.221 391 I CB 1.191 39.351 38.000 0.266 0.000 1.366 391 I HN 0.840 nan 8.210 nan 0.000 0.467 392 Y N 3.720 124.103 120.300 0.139 0.000 2.744 392 Y HA 0.655 5.205 4.550 -0.000 0.000 0.330 392 Y C -1.343 174.586 175.900 0.049 0.000 1.263 392 Y CA -1.160 57.000 58.100 0.101 0.000 1.065 392 Y CB 0.987 39.506 38.460 0.098 0.000 1.306 392 Y HN 0.365 nan 8.280 nan 0.000 0.459 393 S N 0.845 116.601 115.700 0.093 0.000 2.536 393 S HA 0.867 5.336 4.470 -0.000 0.000 0.298 393 S C -0.959 173.666 174.600 0.042 0.000 1.083 393 S CA 0.154 58.320 58.200 -0.058 0.000 0.995 393 S CB 1.019 64.180 63.200 -0.065 0.000 1.058 393 S HN 1.354 nan 8.310 nan 0.000 0.488 394 S N 2.311 117.989 115.700 -0.036 0.000 2.720 394 S HA 0.754 5.224 4.470 -0.000 0.000 0.287 394 S C -1.067 173.529 174.600 -0.006 0.000 1.168 394 S CA -0.743 57.473 58.200 0.027 0.000 0.832 394 S CB 1.342 64.618 63.200 0.126 0.000 1.166 394 S HN 0.553 nan 8.310 nan 0.000 0.493 395 S N 0.684 116.402 115.700 0.029 0.000 2.451 395 S HA 0.591 5.061 4.470 -0.000 0.000 0.301 395 S C -0.990 173.724 174.600 0.190 0.000 1.116 395 S CA -0.575 57.685 58.200 0.099 0.000 1.093 395 S CB 1.000 64.274 63.200 0.123 0.000 1.017 395 S HN 0.637 nan 8.310 nan 0.000 0.482 396 Q N 1.647 121.511 119.800 0.107 0.000 2.274 396 Q HA 0.516 4.856 4.340 -0.000 0.000 0.268 396 Q C 0.495 176.524 176.000 0.048 0.000 1.015 396 Q CA -0.031 55.818 55.803 0.076 0.000 0.775 396 Q CB 1.340 30.095 28.738 0.029 0.000 1.256 396 Q HN 0.976 nan 8.270 nan 0.000 0.442 397 G N 3.071 111.893 108.800 0.037 0.000 2.583 397 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 397 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 397 G C 0.457 175.380 174.900 0.038 0.000 1.203 397 G CA 0.435 45.546 45.100 0.018 0.000 0.987 397 G HN 0.583 nan 8.290 nan 0.000 0.554 398 M N 2.499 122.113 119.600 0.024 0.000 2.495 398 M HA 0.310 4.790 4.480 -0.000 0.000 0.237 398 M C 1.151 177.467 176.300 0.027 0.000 1.131 398 M CA 1.085 56.402 55.300 0.028 0.000 1.032 398 M CB -0.384 32.223 32.600 0.012 0.000 1.513 398 M HN 0.950 nan 8.290 nan 0.000 0.488 399 G N -0.600 108.214 108.800 0.023 0.000 2.642 399 G HA2 0.514 4.474 3.960 -0.000 0.000 0.293 399 G HA3 0.514 4.474 3.960 -0.000 0.000 0.293 399 G C -1.060 173.842 174.900 0.003 0.000 1.341 399 G CA -0.382 44.722 45.100 0.008 0.000 0.916 399 G HN 0.087 nan 8.290 nan 0.000 0.474 400 S N -0.913 114.778 115.700 -0.015 0.000 2.564 400 S HA 0.540 5.010 4.470 -0.000 0.000 0.278 400 S C 0.498 175.070 174.600 -0.046 0.000 1.333 400 S CA -0.240 57.938 58.200 -0.036 0.000 1.048 400 S CB 1.147 64.313 63.200 -0.057 0.000 0.900 400 S HN 1.319 nan 8.310 nan 0.000 0.505 401 V N 1.259 121.134 119.914 -0.065 0.000 3.160 401 V HA 0.675 4.795 4.120 -0.000 0.000 0.310 401 V C -1.051 174.957 176.094 -0.144 0.000 1.181 401 V CA -1.172 61.071 62.300 -0.096 0.000 1.047 401 V CB 1.403 33.176 31.823 -0.084 0.000 1.068 401 V HN 0.703 nan 8.190 nan 0.000 0.441 402 L N 2.200 123.313 121.223 -0.184 0.000 2.322 402 L HA 0.636 4.976 4.340 -0.000 0.000 0.279 402 L C -0.202 176.493 176.870 -0.292 0.000 1.036 402 L CA -0.429 54.267 54.840 -0.239 0.000 0.807 402 L CB 1.499 43.411 42.059 -0.245 0.000 1.226 402 L HN 0.781 nan 8.230 nan 0.000 0.433 403 N N 3.288 121.708 118.700 -0.467 0.000 2.321 403 N HA 0.674 5.414 4.740 -0.000 0.000 0.290 403 N C -1.354 173.953 175.510 -0.338 0.000 1.212 403 N CA -0.625 52.112 53.050 -0.521 0.000 0.767 403 N CB 3.047 40.940 38.487 -0.990 0.000 1.494 403 N HN 0.319 nan 8.380 nan 0.000 0.479 404 L N 1.070 122.269 121.223 -0.040 0.000 2.386 404 L HA 0.642 4.982 4.340 -0.000 0.000 0.271 404 L C -0.758 176.316 176.870 0.340 0.000 0.993 404 L CA -0.860 54.122 54.840 0.237 0.000 0.819 404 L CB 2.302 44.551 42.059 0.317 0.000 1.294 404 L HN 0.167 nan 8.230 nan 0.000 0.414 405 V N 2.014 122.195 119.914 0.445 0.000 2.808 405 V HA 0.520 4.640 4.120 -0.000 0.000 0.308 405 V C -0.115 176.180 176.094 0.335 0.000 1.099 405 V CA -0.392 62.133 62.300 0.374 0.000 0.920 405 V CB 2.622 34.634 31.823 0.315 0.000 1.014 405 V HN 0.886 nan 8.190 nan 0.000 0.425 406 S N 3.249 119.152 115.700 0.339 0.000 2.593 406 S HA 0.131 4.601 4.470 -0.000 0.000 0.269 406 S C 1.304 175.974 174.600 0.117 0.000 1.334 406 S CA 0.321 58.650 58.200 0.214 0.000 1.015 406 S CB 1.179 64.499 63.200 0.200 0.000 0.912 406 S HN 1.285 nan 8.310 nan 0.000 0.541 407 T N -2.051 112.532 114.554 0.049 0.000 3.072 407 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 407 T C 0.865 175.516 174.700 -0.081 0.000 1.127 407 T CA 0.962 63.043 62.100 -0.030 0.000 1.107 407 T CB -0.678 68.125 68.868 -0.108 0.000 0.910 407 T HN 0.809 nan 8.240 nan 0.000 0.513 408 D N 0.688 121.066 120.400 -0.037 0.000 2.339 408 D HA 0.230 4.870 4.640 -0.000 0.000 0.217 408 D C 1.710 178.012 176.300 0.004 0.000 1.050 408 D CA 0.483 54.462 54.000 -0.036 0.000 0.856 408 D CB -0.758 40.024 40.800 -0.030 0.000 0.922 408 D HN 0.508 nan 8.370 nan 0.000 0.518 409 G N 0.718 109.542 108.800 0.039 0.000 2.179 409 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.260 409 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.260 409 G C 1.300 176.244 174.900 0.073 0.000 0.977 409 G CA 0.355 45.485 45.100 0.051 0.000 0.641 409 G HN 0.422 nan 8.290 nan 0.000 0.533 410 R N -1.187 119.373 120.500 0.099 0.000 2.161 410 R HA 0.258 4.597 4.340 -0.000 0.000 0.213 410 R C 0.764 177.168 176.300 0.175 0.000 1.055 410 R CA 0.711 56.878 56.100 0.111 0.000 0.996 410 R CB 0.169 30.530 30.300 0.101 0.000 0.901 410 R HN 0.448 nan 8.270 nan 0.000 0.456 411 F N 1.504 121.489 119.950 0.058 0.000 2.458 411 F HA 0.380 4.907 4.527 -0.000 0.000 0.336 411 F C -0.930 174.928 175.800 0.097 0.000 1.114 411 F CA -0.698 57.350 58.000 0.080 0.000 0.987 411 F CB 1.105 40.164 39.000 0.098 0.000 1.130 411 F HN -0.383 nan 8.300 nan 0.000 0.458 412 K N 5.261 125.354 120.400 -0.511 0.000 2.427 412 K HA 0.868 5.188 4.320 -0.000 0.000 0.252 412 K C -1.386 174.912 176.600 -0.504 0.000 0.931 412 K CA -0.970 55.134 56.287 -0.305 0.000 0.793 412 K CB 2.180 34.613 32.500 -0.111 0.000 1.211 412 K HN 0.727 nan 8.250 nan 0.000 0.426 413 A N 2.466 125.140 122.820 -0.242 0.000 2.568 413 A HA 0.780 5.099 4.320 -0.000 0.000 0.291 413 A C -1.403 176.140 177.584 -0.068 0.000 1.159 413 A CA -0.854 51.084 52.037 -0.165 0.000 0.679 413 A CB 1.518 20.478 19.000 -0.067 0.000 1.285 413 A HN 0.692 nan 8.150 nan 0.000 0.428 414 R N -1.166 119.296 120.500 -0.065 0.000 2.836 414 R HA 0.669 5.009 4.340 -0.000 0.000 0.269 414 R C -1.730 174.513 176.300 -0.094 0.000 1.010 414 R CA -0.744 55.300 56.100 -0.093 0.000 0.930 414 R CB 1.720 31.963 30.300 -0.095 0.000 1.218 414 R HN 0.429 nan 8.270 nan 0.000 0.473 415 L N 2.843 123.981 121.223 -0.143 0.000 2.581 415 L HA 0.343 4.683 4.340 -0.000 0.000 0.241 415 L C -2.185 174.570 176.870 -0.191 0.000 1.265 415 L CA -1.482 53.251 54.840 -0.179 0.000 0.954 415 L CB 1.042 42.953 42.059 -0.246 0.000 1.269 415 L HN 0.278 nan 8.230 nan 0.000 0.475 416 P HA 0.188 nan 4.420 nan 0.000 0.269 416 P C -0.512 176.702 177.300 -0.143 0.000 1.209 416 P CA -0.054 62.968 63.100 -0.129 0.000 0.776 416 P CB 1.498 33.140 31.700 -0.096 0.000 0.876 417 A N 2.075 124.820 122.820 -0.126 0.000 2.337 417 A HA 0.526 4.846 4.320 -0.000 0.000 0.331 417 A C 1.428 178.964 177.584 -0.079 0.000 1.137 417 A CA -0.105 51.865 52.037 -0.111 0.000 0.807 417 A CB 0.456 19.396 19.000 -0.100 0.000 1.250 417 A HN 0.584 nan 8.150 nan 0.000 0.468 418 T N -1.362 113.151 114.554 -0.069 0.000 2.857 418 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 418 T C 0.123 174.797 174.700 -0.044 0.000 1.048 418 T CA 1.363 63.430 62.100 -0.055 0.000 1.139 418 T CB -0.187 68.650 68.868 -0.051 0.000 0.874 418 T HN 0.567 nan 8.240 nan 0.000 0.455 419 D N 0.243 120.619 120.400 -0.040 0.000 2.934 419 D HA 0.541 5.180 4.640 -0.000 0.000 0.230 419 D C 0.079 176.361 176.300 -0.031 0.000 1.204 419 D CA 0.295 54.275 54.000 -0.034 0.000 0.873 419 D CB 1.858 42.641 40.800 -0.029 0.000 1.645 419 D HN 0.597 nan 8.370 nan 0.000 0.502 420 G N 1.566 110.346 108.800 -0.033 0.000 2.692 420 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 420 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 420 G C -0.600 174.284 174.900 -0.027 0.000 1.243 420 G CA -0.928 44.153 45.100 -0.031 0.000 0.782 420 G HN 0.447 nan 8.290 nan 0.000 0.625 421 Q N -1.092 118.695 119.800 -0.022 0.000 2.373 421 Q HA 0.479 4.819 4.340 -0.000 0.000 0.255 421 Q C 0.649 176.653 176.000 0.007 0.000 0.980 421 Q CA 0.129 55.924 55.803 -0.014 0.000 0.882 421 Q CB 1.833 30.567 28.738 -0.005 0.000 1.249 421 Q HN 1.532 nan 8.270 nan 0.000 0.438 422 V N -0.909 118.999 119.914 -0.010 0.000 2.638 422 V HA 0.783 4.903 4.120 -0.000 0.000 0.306 422 V C -0.785 175.307 176.094 -0.004 0.000 1.052 422 V CA -0.751 61.553 62.300 0.007 0.000 0.885 422 V CB 1.527 33.297 31.823 -0.088 0.000 0.999 422 V HN 0.913 nan 8.190 nan 0.000 0.424 423 K N 2.647 123.088 120.400 0.068 0.000 2.454 423 K HA 0.692 5.012 4.320 -0.000 0.000 0.279 423 K C -0.639 176.059 176.600 0.164 0.000 1.020 423 K CA -0.956 55.332 56.287 0.002 0.000 0.850 423 K CB 0.729 33.138 32.500 -0.152 0.000 1.529 423 K HN 0.622 nan 8.250 nan 0.000 0.390 424 F N 0.281 120.296 119.950 0.109 0.000 3.027 424 F HA -0.137 4.390 4.527 0.000 0.000 0.276 424 F C -2.066 173.823 175.800 0.148 0.000 0.967 424 F CA 0.429 58.503 58.000 0.124 0.000 0.929 424 F CB -1.828 37.239 39.000 0.110 0.000 0.873 424 F HN 0.399 nan 8.300 nan 0.000 0.787 425 P HA 0.495 nan 4.420 nan 0.000 0.275 425 P C -0.532 176.952 177.300 0.307 0.000 1.228 425 P CA 0.080 63.342 63.100 0.270 0.000 0.786 425 P CB 1.848 33.646 31.700 0.164 0.000 0.927 426 A N 3.211 126.238 122.820 0.345 0.000 2.437 426 A HA 0.407 4.727 4.320 -0.000 0.000 0.293 426 A C -1.361 176.577 177.584 0.589 0.000 1.038 426 A CA -0.618 51.690 52.037 0.453 0.000 0.708 426 A CB 0.944 20.199 19.000 0.426 0.000 1.251 426 A HN 0.515 nan 8.150 nan 0.000 0.409 427 W N 3.761 125.241 121.300 0.300 0.000 2.316 427 W HA 0.440 5.100 4.660 -0.000 0.000 0.311 427 W C 0.714 177.099 176.519 -0.223 0.000 1.217 427 W CA 0.018 57.420 57.345 0.095 0.000 1.199 427 W CB 1.795 31.265 29.460 0.016 0.000 1.202 427 W HN 0.904 nan 8.180 nan 0.000 0.528 428 S N 6.885 122.385 115.700 -0.334 0.000 2.589 428 S HA 0.359 4.828 4.470 -0.000 0.000 0.265 428 S C -2.087 172.240 174.600 -0.454 0.000 1.342 428 S CA -1.025 56.446 58.200 -1.214 0.000 1.005 428 S CB 1.057 63.310 63.200 -1.579 0.000 0.909 428 S HN 0.339 nan 8.310 nan 0.000 0.555 429 P HA 0.119 nan 4.420 nan 0.000 0.273 429 P C -0.485 176.686 177.300 -0.215 0.000 1.250 429 P CA -0.338 62.600 63.100 -0.270 0.000 0.793 429 P CB 0.063 31.682 31.700 -0.134 0.000 1.011 430 Y N 0.129 120.356 120.300 -0.122 0.000 2.757 430 Y HA 0.193 4.742 4.550 -0.000 0.000 0.344 430 Y C 1.353 177.216 175.900 -0.061 0.000 1.263 430 Y CA 1.150 59.192 58.100 -0.096 0.000 1.493 430 Y CB -0.199 38.211 38.460 -0.084 0.000 1.342 430 Y HN 0.210 nan 8.280 nan 0.000 0.627 438 H N 0.000 118.787 119.070 -0.472 0.000 2.539 438 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 438 H CA 0.000 55.879 56.048 -0.282 0.000 1.023 438 H CB 0.000 29.641 29.762 -0.201 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496