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 1o7a_1_B DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPSCTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSECDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XKLDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcNH DATA SEQUENCE E 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.238 177.300 -0.103 0.000 1.155 54 P CA 0.000 63.027 63.100 -0.122 0.000 0.800 54 P CB 0.000 31.562 31.700 -0.231 0.000 0.726 55 A N 1.365 124.141 122.820 -0.074 0.000 2.273 55 A HA 0.611 4.931 4.320 -0.000 0.000 0.320 55 A C -0.391 177.196 177.584 0.005 0.000 1.358 55 A CA -0.388 51.629 52.037 -0.034 0.000 0.910 55 A CB 0.426 19.402 19.000 -0.041 0.000 1.159 55 A HN 0.155 nan 8.150 nan 0.000 0.526 56 L N 2.935 124.161 121.223 0.005 0.000 2.292 56 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 56 L C -0.276 176.590 176.870 -0.008 0.000 1.065 56 L CA -0.030 54.799 54.840 -0.017 0.000 0.806 56 L CB 0.799 42.835 42.059 -0.039 0.000 1.175 56 L HN 0.750 nan 8.230 nan 0.000 0.431 57 W N 5.744 126.857 121.300 -0.311 0.000 3.423 57 W HA 0.339 4.999 4.660 -0.000 0.000 0.330 57 W C -2.891 173.349 176.519 -0.465 0.000 1.102 57 W CA -1.696 55.379 57.345 -0.450 0.000 1.261 57 W CB 2.392 31.337 29.460 -0.859 0.000 1.283 57 W HN 0.307 nan 8.180 nan 0.000 0.447 58 P HA 0.052 nan 4.420 nan 0.000 0.272 58 P C -0.287 176.727 177.300 -0.476 0.000 1.230 58 P CA -0.305 62.317 63.100 -0.797 0.000 0.788 58 P CB 0.809 32.193 31.700 -0.526 0.000 0.949 59 L N 4.840 125.826 121.223 -0.395 0.000 2.477 59 L HA 0.240 4.579 4.340 -0.000 0.000 0.272 59 L C -2.234 174.626 176.870 -0.016 0.000 1.157 59 L CA -1.470 53.272 54.840 -0.164 0.000 0.889 59 L CB -0.444 41.543 42.059 -0.121 0.000 1.158 59 L HN 0.295 nan 8.230 nan 0.000 0.473 60 P HA -0.027 nan 4.420 nan 0.000 0.271 60 P C 0.970 178.331 177.300 0.101 0.000 1.233 60 P CA -0.215 62.971 63.100 0.144 0.000 0.789 60 P CB 0.568 32.333 31.700 0.108 0.000 0.951 61 L N 0.322 121.603 121.223 0.096 0.000 1.989 61 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 61 L C 0.818 177.680 176.870 -0.012 0.000 1.071 61 L CA 2.009 56.850 54.840 0.002 0.000 0.749 61 L CB -0.278 41.746 42.059 -0.059 0.000 0.890 61 L HN 0.381 nan 8.230 nan 0.000 0.431 62 S N -0.864 114.827 115.700 -0.016 0.000 2.647 62 S HA 0.502 4.972 4.470 -0.000 0.000 0.300 62 S C -0.953 173.648 174.600 0.001 0.000 1.129 62 S CA -0.642 57.550 58.200 -0.014 0.000 1.029 62 S CB 1.526 64.709 63.200 -0.027 0.000 1.007 62 S HN -0.034 nan 8.310 nan 0.000 0.484 63 V N 6.038 125.957 119.914 0.008 0.000 2.409 63 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 63 V C -0.507 175.596 176.094 0.015 0.000 1.017 63 V CA -0.690 61.620 62.300 0.017 0.000 0.841 63 V CB 1.559 33.393 31.823 0.018 0.000 1.003 63 V HN 0.821 nan 8.190 nan 0.000 0.426 64 K N 4.887 125.298 120.400 0.019 0.000 2.389 64 K HA 0.615 4.935 4.320 -0.000 0.000 0.261 64 K C -0.719 175.894 176.600 0.022 0.000 1.014 64 K CA -0.554 55.743 56.287 0.017 0.000 0.920 64 K CB 1.777 34.286 32.500 0.015 0.000 1.149 64 K HN 0.556 nan 8.250 nan 0.000 0.444 65 M N 2.278 121.889 119.600 0.018 0.000 2.363 65 M HA 0.249 4.729 4.480 -0.000 0.000 0.343 65 M C -0.274 176.037 176.300 0.018 0.000 1.165 65 M CA -0.086 55.226 55.300 0.020 0.000 1.046 65 M CB 1.660 34.268 32.600 0.013 0.000 1.648 65 M HN 0.622 nan 8.290 nan 0.000 0.452 66 T N 0.946 115.513 114.554 0.021 0.000 2.924 66 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 66 T C -2.393 172.320 174.700 0.021 0.000 1.045 66 T CA -1.588 60.524 62.100 0.020 0.000 1.015 66 T CB 1.677 70.558 68.868 0.021 0.000 1.103 66 T HN 0.622 nan 8.240 nan 0.000 0.496 67 P HA 0.118 nan 4.420 nan 0.000 0.249 67 P C -0.440 176.876 177.300 0.026 0.000 1.229 67 P CA -0.260 62.854 63.100 0.025 0.000 0.788 67 P CB 0.048 31.761 31.700 0.022 0.000 1.072 68 N N 1.262 119.974 118.700 0.020 0.000 2.470 68 N HA 0.155 4.895 4.740 -0.000 0.000 0.268 68 N C 0.117 175.622 175.510 -0.008 0.000 1.136 68 N CA 0.150 53.208 53.050 0.012 0.000 0.961 68 N CB 1.007 39.502 38.487 0.013 0.000 1.067 68 N HN 0.174 nan 8.380 nan 0.000 0.468 69 L N 2.892 124.097 121.223 -0.030 0.000 2.309 69 L HA 0.536 4.876 4.340 -0.000 0.000 0.282 69 L C 0.084 176.811 176.870 -0.239 0.000 1.036 69 L CA -0.689 54.072 54.840 -0.130 0.000 0.806 69 L CB 0.959 42.951 42.059 -0.113 0.000 1.220 69 L HN 0.211 nan 8.230 nan 0.000 0.429 70 L N 2.100 123.109 121.223 -0.357 0.000 2.323 70 L HA 0.645 4.985 4.340 -0.000 0.000 0.265 70 L C -0.726 175.794 176.870 -0.583 0.000 1.012 70 L CA -0.956 53.700 54.840 -0.306 0.000 0.820 70 L CB 2.104 44.106 42.059 -0.096 0.000 1.334 70 L HN 0.509 nan 8.230 nan 0.000 0.427 71 H N 1.255 120.329 119.070 0.008 0.000 2.747 71 H HA 0.603 5.159 4.556 -0.000 0.000 0.371 71 H C -1.278 174.072 175.328 0.037 0.000 1.161 71 H CA -0.683 55.368 56.048 0.004 0.000 1.167 71 H CB 2.631 32.402 29.762 0.014 0.000 1.732 71 H HN 0.194 nan 8.280 nan 0.000 0.544 72 L N 1.092 122.415 121.223 0.167 0.000 2.334 72 L HA 0.547 4.887 4.340 -0.000 0.000 0.276 72 L C 0.329 177.246 176.870 0.078 0.000 1.014 72 L CA -0.674 54.219 54.840 0.088 0.000 0.815 72 L CB 1.640 43.647 42.059 -0.085 0.000 1.268 72 L HN 0.696 nan 8.230 nan 0.000 0.428 73 A N 3.691 126.512 122.820 0.002 0.000 2.280 73 A HA 0.669 4.989 4.320 -0.000 0.000 0.320 73 A C -1.896 175.450 177.584 -0.397 0.000 1.366 73 A CA -1.295 50.681 52.037 -0.101 0.000 0.938 73 A CB 0.407 19.395 19.000 -0.020 0.000 1.157 73 A HN 0.636 nan 8.150 nan 0.000 0.536 74 P HA -0.222 nan 4.420 nan 0.000 0.217 74 P C 1.064 177.998 177.300 -0.609 0.000 1.158 74 P CA 1.460 63.795 63.100 -1.275 0.000 0.887 74 P CB 0.334 31.502 31.700 -0.885 0.000 0.792 75 E N -1.845 118.156 120.200 -0.332 0.000 2.427 75 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 75 E C 0.835 177.306 176.600 -0.215 0.000 1.028 75 E CA 0.540 56.812 56.400 -0.212 0.000 0.864 75 E CB -0.620 29.008 29.700 -0.120 0.000 0.813 75 E HN 0.414 nan 8.360 nan 0.000 0.514 76 N N -0.253 118.326 118.700 -0.202 0.000 2.599 76 N HA 0.073 4.813 4.740 -0.000 0.000 0.309 76 N C -1.450 173.988 175.510 -0.121 0.000 1.743 76 N CA -0.133 52.837 53.050 -0.134 0.000 0.918 76 N CB 0.294 38.792 38.487 0.018 0.000 1.339 76 N HN -0.131 nan 8.380 nan 0.000 0.493 77 F N 1.743 121.384 119.950 -0.515 0.000 2.562 77 F HA 0.427 4.954 4.527 -0.000 0.000 0.319 77 F C -1.750 173.808 175.800 -0.403 0.000 1.154 77 F CA -0.598 57.234 58.000 -0.279 0.000 0.931 77 F CB 0.735 39.682 39.000 -0.087 0.000 1.198 77 F HN -0.049 nan 8.300 nan 0.000 0.444 78 Y N 6.181 126.090 120.300 -0.652 0.000 2.393 78 Y HA 0.615 5.165 4.550 -0.000 0.000 0.341 78 Y C -0.210 175.230 175.900 -0.767 0.000 0.988 78 Y CA -1.165 56.633 58.100 -0.504 0.000 1.078 78 Y CB 1.668 39.943 38.460 -0.309 0.000 1.203 78 Y HN 0.350 nan 8.280 nan 0.000 0.453 79 I N 3.272 123.608 120.570 -0.389 0.000 2.330 79 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 79 I C -0.545 175.167 176.117 -0.675 0.000 1.001 79 I CA -0.063 60.881 61.300 -0.593 0.000 1.193 79 I CB 0.896 38.595 38.000 -0.503 0.000 1.345 79 I HN 0.613 nan 8.210 nan 0.000 0.461 80 S N 4.099 119.405 115.700 -0.657 0.000 2.667 80 S HA 0.510 4.979 4.470 -0.000 0.000 0.292 80 S C -0.708 173.652 174.600 -0.400 0.000 1.126 80 S CA -0.851 57.076 58.200 -0.455 0.000 0.881 80 S CB 1.603 64.681 63.200 -0.204 0.000 1.132 80 S HN 0.449 nan 8.310 nan 0.000 0.492 81 H N 1.369 120.453 119.070 0.024 0.000 2.767 81 H HA 0.284 4.840 4.556 -0.000 0.000 0.316 81 H C 0.500 175.819 175.328 -0.015 0.000 1.059 81 H CA 0.085 56.175 56.048 0.071 0.000 1.461 81 H CB 0.985 30.811 29.762 0.107 0.000 1.475 81 H HN 0.529 nan 8.280 nan 0.000 0.531 82 S N 4.481 120.232 115.700 0.085 0.000 2.572 82 S HA 0.024 4.494 4.470 -0.000 0.000 0.279 82 S C -1.031 173.593 174.600 0.040 0.000 1.341 82 S CA -1.191 57.025 58.200 0.026 0.000 1.043 82 S CB 0.652 63.857 63.200 0.009 0.000 0.887 82 S HN 0.509 nan 8.310 nan 0.000 0.516 83 P HA -0.037 nan 4.420 nan 0.000 0.225 83 P C -0.472 176.830 177.300 0.003 0.000 1.148 83 P CA 0.744 63.847 63.100 0.005 0.000 0.779 83 P CB -0.112 31.583 31.700 -0.008 0.000 0.780 84 N N 0.456 119.160 118.700 0.006 0.000 2.609 84 N HA 0.288 5.028 4.740 -0.000 0.000 0.234 84 N C -0.524 174.994 175.510 0.014 0.000 1.001 84 N CA 0.176 53.229 53.050 0.005 0.000 0.926 84 N CB 0.907 39.396 38.487 0.004 0.000 1.130 84 N HN -0.031 nan 8.380 nan 0.000 0.510 85 S N -0.302 115.404 115.700 0.010 0.000 2.558 85 S HA 0.211 4.681 4.470 -0.000 0.000 0.277 85 S C 0.635 175.229 174.600 -0.011 0.000 1.143 85 S CA -0.597 57.612 58.200 0.016 0.000 0.865 85 S CB 0.515 63.747 63.200 0.054 0.000 1.102 85 S HN 0.454 nan 8.310 nan 0.000 0.454 86 T N 0.702 115.248 114.554 -0.015 0.000 3.148 86 T HA 0.536 4.885 4.350 -0.000 0.000 0.253 86 T C 0.608 175.268 174.700 -0.066 0.000 1.134 86 T CA 0.538 62.617 62.100 -0.034 0.000 1.051 86 T CB -0.086 68.766 68.868 -0.025 0.000 0.959 86 T HN 0.986 nan 8.240 nan 0.000 0.525 87 A N -0.227 122.549 122.820 -0.075 0.000 2.356 87 A HA 0.914 5.234 4.320 -0.000 0.000 0.323 87 A C 0.273 177.651 177.584 -0.343 0.000 1.119 87 A CA -0.412 51.533 52.037 -0.154 0.000 0.790 87 A CB 1.593 20.540 19.000 -0.089 0.000 1.273 87 A HN 0.574 nan 8.150 nan 0.000 0.452 88 G N -0.653 107.819 108.800 -0.546 0.000 2.870 88 G HA2 0.578 4.538 3.960 -0.000 0.000 0.299 88 G HA3 0.578 4.538 3.960 -0.000 0.000 0.299 88 G C -2.577 171.864 174.900 -0.766 0.000 1.324 88 G CA -0.830 43.771 45.100 -0.832 0.000 0.808 88 G HN 0.294 nan 8.290 nan 0.000 0.535 89 P HA -0.085 nan 4.420 nan 0.000 0.220 89 P C 1.971 179.222 177.300 -0.081 0.000 1.144 89 P CA 2.088 65.150 63.100 -0.064 0.000 0.800 89 P CB 0.177 31.875 31.700 -0.003 0.000 0.772 90 S N -2.449 113.175 115.700 -0.125 0.000 2.522 90 S HA -0.067 4.402 4.470 -0.000 0.000 0.227 90 S C 1.056 175.590 174.600 -0.110 0.000 0.986 90 S CA -0.086 58.055 58.200 -0.097 0.000 0.929 90 S CB -1.433 61.712 63.200 -0.091 0.000 0.769 90 S HN 0.193 nan 8.310 nan 0.000 0.529 91 C N 3.735 122.948 119.300 -0.146 0.000 2.311 91 C HA 0.432 4.892 4.460 -0.000 0.000 0.357 91 C C 1.898 176.804 174.990 -0.140 0.000 1.086 91 C CA -0.252 58.677 59.018 -0.148 0.000 1.486 91 C CB -1.823 25.814 27.740 -0.172 0.000 1.974 91 C HN 0.610 nan 8.230 nan 0.000 0.508 92 T N 4.284 118.764 114.554 -0.123 0.000 2.720 92 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 92 T C 1.782 176.392 174.700 -0.151 0.000 1.037 92 T CA 1.920 63.950 62.100 -0.117 0.000 1.144 92 T CB -0.213 68.602 68.868 -0.087 0.000 0.864 92 T HN 0.813 nan 8.240 nan 0.000 0.444 93 L N 0.404 121.528 121.223 -0.166 0.000 2.012 93 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 93 L C 2.280 179.008 176.870 -0.237 0.000 1.073 93 L CA 1.543 56.276 54.840 -0.179 0.000 0.748 93 L CB -0.289 41.646 42.059 -0.206 0.000 0.891 93 L HN 0.270 nan 8.230 nan 0.000 0.431 94 L N -0.760 120.271 121.223 -0.320 0.000 2.109 94 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 94 L C 2.725 179.012 176.870 -0.971 0.000 1.086 94 L CA 0.784 55.265 54.840 -0.598 0.000 0.760 94 L CB -0.629 41.112 42.059 -0.530 0.000 0.910 94 L HN 0.290 nan 8.230 nan 0.000 0.437 95 E N 0.145 119.998 120.200 -0.578 0.000 2.085 95 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 95 E C 2.093 178.554 176.600 -0.232 0.000 0.994 95 E CA 1.049 57.209 56.400 -0.399 0.000 0.801 95 E CB -0.062 29.552 29.700 -0.143 0.000 0.743 95 E HN 0.420 nan 8.360 nan 0.000 0.453 96 E N 0.466 120.559 120.200 -0.178 0.000 2.106 96 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 96 E C 1.986 178.563 176.600 -0.037 0.000 0.984 96 E CA 0.921 57.266 56.400 -0.092 0.000 0.806 96 E CB -0.240 29.405 29.700 -0.092 0.000 0.750 96 E HN 0.206 nan 8.360 nan 0.000 0.458 97 A N 0.695 123.490 122.820 -0.042 0.000 1.902 97 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 97 A C 2.179 179.999 177.584 0.393 0.000 1.181 97 A CA 0.949 53.097 52.037 0.185 0.000 0.623 97 A CB -0.944 18.160 19.000 0.175 0.000 0.818 97 A HN 0.230 nan 8.150 nan 0.000 0.443 98 F N -0.624 119.380 119.950 0.090 0.000 2.095 98 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 98 F C 2.716 178.591 175.800 0.124 0.000 1.104 98 F CA 1.361 59.411 58.000 0.083 0.000 1.232 98 F CB -0.198 38.785 39.000 -0.028 0.000 0.987 98 F HN 0.225 nan 8.300 nan 0.000 0.475 99 R N 1.037 121.685 120.500 0.247 0.000 2.073 99 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 99 R C 2.380 178.716 176.300 0.061 0.000 1.134 99 R CA 1.504 57.678 56.100 0.123 0.000 0.952 99 R CB -0.358 29.965 30.300 0.037 0.000 0.850 99 R HN 0.149 nan 8.270 nan 0.000 0.433 100 R N -0.699 119.792 120.500 -0.015 0.000 2.083 100 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 100 R C 1.956 178.001 176.300 -0.425 0.000 1.137 100 R CA 2.080 58.015 56.100 -0.275 0.000 0.951 100 R CB -0.383 29.777 30.300 -0.233 0.000 0.851 100 R HN 0.324 nan 8.270 nan 0.000 0.434 101 Y N -0.978 119.364 120.300 0.069 0.000 2.439 101 Y HA -0.163 4.387 4.550 -0.000 0.000 0.292 101 Y C 2.431 178.406 175.900 0.126 0.000 1.130 101 Y CA 1.274 59.483 58.100 0.182 0.000 1.254 101 Y CB -0.140 38.472 38.460 0.253 0.000 1.000 101 Y HN 0.295 nan 8.280 nan 0.000 0.554 102 H N -0.487 118.697 119.070 0.189 0.000 2.357 102 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 102 H C 2.290 177.701 175.328 0.139 0.000 1.082 102 H CA 1.534 57.719 56.048 0.229 0.000 1.342 102 H CB -0.325 29.566 29.762 0.214 0.000 1.389 102 H HN 0.432 nan 8.280 nan 0.000 0.511 103 G N -0.921 107.952 108.800 0.122 0.000 2.422 103 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 103 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 103 G C 1.492 176.354 174.900 -0.064 0.000 1.140 103 G CA 0.505 45.605 45.100 0.000 0.000 0.775 103 G HN 0.458 nan 8.290 nan 0.000 0.545 104 Y N 0.220 120.486 120.300 -0.056 0.000 2.220 104 Y HA 0.042 4.591 4.550 -0.000 0.000 0.291 104 Y C 2.743 178.542 175.900 -0.169 0.000 1.129 104 Y CA 0.274 58.296 58.100 -0.129 0.000 1.161 104 Y CB -0.034 38.313 38.460 -0.188 0.000 0.997 104 Y HN 0.106 nan 8.280 nan 0.000 0.522 105 I N -1.040 119.462 120.570 -0.113 0.000 2.179 105 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 105 I C 0.662 176.392 176.117 -0.645 0.000 1.088 105 I CA 1.570 62.566 61.300 -0.506 0.000 1.357 105 I CB -0.218 37.200 38.000 -0.970 0.000 1.051 105 I HN 0.096 nan 8.210 nan 0.000 0.409 106 F N 0.922 120.743 119.950 -0.215 0.000 2.750 106 F HA 0.470 4.997 4.527 -0.000 0.000 0.297 106 F C 1.143 176.934 175.800 -0.015 0.000 1.138 106 F CA -0.156 57.672 58.000 -0.287 0.000 1.346 106 F CB -0.169 38.499 39.000 -0.553 0.000 0.965 106 F HN 0.098 nan 8.300 nan 0.000 0.514 123 Q N 1.699 121.562 119.800 0.104 0.000 2.278 123 Q HA 0.623 4.963 4.340 -0.000 0.000 0.257 123 Q C -0.707 175.373 176.000 0.133 0.000 0.928 123 Q CA -0.729 55.150 55.803 0.127 0.000 0.932 123 Q CB 1.928 30.740 28.738 0.125 0.000 1.221 123 Q HN 0.337 nan 8.270 nan 0.000 0.434 124 V N 5.861 125.875 119.914 0.167 0.000 2.353 124 V HA 0.099 4.219 4.120 -0.000 0.000 0.264 124 V C 0.390 176.690 176.094 0.343 0.000 1.049 124 V CA 0.234 62.670 62.300 0.228 0.000 0.896 124 V CB 1.010 32.989 31.823 0.261 0.000 1.025 124 V HN 1.014 nan 8.190 nan 0.000 0.475 125 Q N 4.244 124.190 119.800 0.243 0.000 2.311 125 Q HA 0.116 4.456 4.340 -0.000 0.000 0.203 125 Q C 0.691 176.768 176.000 0.128 0.000 0.954 125 Q CA 0.676 56.615 55.803 0.227 0.000 0.885 125 Q CB 0.405 29.225 28.738 0.137 0.000 0.963 125 Q HN 0.871 nan 8.270 nan 0.000 0.471 126 Q N -0.061 119.753 119.800 0.023 0.000 2.578 126 Q HA 0.435 4.775 4.340 -0.000 0.000 0.284 126 Q C -2.234 173.609 176.000 -0.262 0.000 0.960 126 Q CA -0.709 54.910 55.803 -0.307 0.000 0.809 126 Q CB 1.634 30.280 28.738 -0.153 0.000 1.462 126 Q HN 0.117 nan 8.270 nan 0.000 0.392 127 L N 3.304 124.238 121.223 -0.482 0.000 2.342 127 L HA 0.533 4.872 4.340 -0.000 0.000 0.276 127 L C -1.901 174.728 176.870 -0.401 0.000 0.997 127 L CA -0.238 54.361 54.840 -0.402 0.000 0.838 127 L CB 1.350 43.058 42.059 -0.585 0.000 1.224 127 L HN 0.676 nan 8.230 nan 0.000 0.416 128 L N 5.626 126.686 121.223 -0.271 0.000 2.312 128 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 128 L C -0.622 176.122 176.870 -0.210 0.000 1.070 128 L CA -0.809 53.897 54.840 -0.223 0.000 0.805 128 L CB 1.750 43.734 42.059 -0.124 0.000 1.174 128 L HN 0.359 nan 8.230 nan 0.000 0.434 129 V N 2.322 122.117 119.914 -0.199 0.000 2.384 129 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 129 V C -0.063 176.045 176.094 0.023 0.000 1.020 129 V CA -0.387 61.852 62.300 -0.101 0.000 0.850 129 V CB 1.606 33.371 31.823 -0.097 0.000 0.987 129 V HN 0.762 nan 8.190 nan 0.000 0.436 130 S N 5.860 121.577 115.700 0.029 0.000 2.552 130 S HA 0.659 5.128 4.470 -0.000 0.000 0.314 130 S C -0.785 173.845 174.600 0.051 0.000 1.099 130 S CA -0.623 57.604 58.200 0.046 0.000 1.070 130 S CB 0.544 63.759 63.200 0.024 0.000 0.998 130 S HN 0.477 nan 8.310 nan 0.000 0.474 131 I N 5.377 125.978 120.570 0.051 0.000 2.312 131 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 131 I C 1.450 177.580 176.117 0.022 0.000 1.008 131 I CA -0.208 61.110 61.300 0.031 0.000 1.226 131 I CB 0.542 38.545 38.000 0.005 0.000 1.371 131 I HN 0.617 nan 8.210 nan 0.000 0.468 132 T N 5.833 120.404 114.554 0.028 0.000 2.809 132 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 132 T C 1.175 175.887 174.700 0.020 0.000 1.039 132 T CA 0.895 63.010 62.100 0.024 0.000 1.141 132 T CB 0.120 69.007 68.868 0.031 0.000 0.869 132 T HN 0.332 nan 8.240 nan 0.000 0.437 133 L N 0.491 121.729 121.223 0.025 0.000 2.635 133 L HA 0.385 4.725 4.340 -0.000 0.000 0.250 133 L C 0.389 177.268 176.870 0.014 0.000 1.117 133 L CA -1.205 53.650 54.840 0.025 0.000 0.834 133 L CB 0.239 42.322 42.059 0.041 0.000 1.544 133 L HN 0.030 nan 8.230 nan 0.000 0.511 134 Q N 0.471 120.282 119.800 0.019 0.000 2.269 134 Q HA -0.049 4.291 4.340 -0.000 0.000 0.300 134 Q C 1.210 177.209 176.000 -0.002 0.000 1.070 134 Q CA 0.371 56.180 55.803 0.009 0.000 0.957 134 Q CB 0.675 29.427 28.738 0.023 0.000 1.131 134 Q HN 0.749 nan 8.270 nan 0.000 0.377 135 S N 3.078 118.755 115.700 -0.039 0.000 2.370 135 S HA -0.245 4.225 4.470 -0.000 0.000 0.226 135 S C 0.414 174.927 174.600 -0.146 0.000 1.033 135 S CA 1.358 59.500 58.200 -0.097 0.000 1.011 135 S CB -0.066 63.061 63.200 -0.123 0.000 0.852 135 S HN 0.858 nan 8.310 nan 0.000 0.457 136 E N -0.611 119.547 120.200 -0.069 0.000 3.181 136 E HA -0.219 4.131 4.350 -0.000 0.000 0.293 136 E C 1.256 177.760 176.600 -0.161 0.000 0.936 136 E CA 0.534 56.936 56.400 0.002 0.000 0.975 136 E CB -2.835 26.997 29.700 0.221 0.000 1.496 136 E HN 0.914 nan 8.360 nan 0.000 0.429 137 C N -0.875 118.294 119.300 -0.219 0.000 2.422 137 C HA -0.108 4.352 4.460 -0.000 0.000 0.279 137 C C 1.563 176.441 174.990 -0.187 0.000 1.305 137 C CA 1.095 59.946 59.018 -0.279 0.000 1.757 137 C CB -0.171 27.438 27.740 -0.218 0.000 1.962 137 C HN 0.266 nan 8.230 nan 0.000 0.499 138 D N 1.545 121.883 120.400 -0.104 0.000 2.340 138 D HA 0.399 5.039 4.640 -0.000 0.000 0.217 138 D C 0.989 177.248 176.300 -0.068 0.000 1.081 138 D CA 0.759 54.706 54.000 -0.088 0.000 0.842 138 D CB 0.375 41.142 40.800 -0.055 0.000 0.934 138 D HN 0.742 nan 8.370 nan 0.000 0.511 139 A N -0.072 122.770 122.820 0.037 0.000 2.261 139 A HA 0.631 4.951 4.320 -0.000 0.000 0.323 139 A C -0.543 177.101 177.584 0.100 0.000 1.107 139 A CA -0.491 51.624 52.037 0.131 0.000 0.883 139 A CB 0.692 19.855 19.000 0.272 0.000 1.251 139 A HN -0.041 nan 8.150 nan 0.000 0.502 140 F N 0.952 121.032 119.950 0.218 0.000 2.399 140 F HA 0.437 4.964 4.527 -0.000 0.000 0.334 140 F C -1.526 174.223 175.800 -0.085 0.000 1.097 140 F CA -1.869 56.206 58.000 0.126 0.000 1.076 140 F CB 1.216 40.262 39.000 0.076 0.000 1.162 140 F HN 0.342 nan 8.300 nan 0.000 0.495 141 P HA 0.001 nan 4.420 nan 0.000 0.269 141 P C -1.092 176.034 177.300 -0.290 0.000 1.215 141 P CA -0.137 62.459 63.100 -0.839 0.000 0.780 141 P CB 1.013 32.122 31.700 -0.986 0.000 0.898 142 N N 1.107 119.639 118.700 -0.281 0.000 2.455 142 N HA 0.130 4.870 4.740 -0.000 0.000 0.278 142 N C 0.733 176.216 175.510 -0.044 0.000 1.291 142 N CA -0.596 52.414 53.050 -0.067 0.000 0.780 142 N CB 1.927 40.408 38.487 -0.009 0.000 1.520 142 N HN 0.152 nan 8.380 nan 0.000 0.486 143 I N 1.735 122.345 120.570 0.068 0.000 2.530 143 I HA -0.123 4.047 4.170 -0.000 0.000 0.257 143 I C 1.419 177.565 176.117 0.048 0.000 1.179 143 I CA 1.618 62.958 61.300 0.067 0.000 1.440 143 I CB -0.085 37.990 38.000 0.125 0.000 1.087 143 I HN 0.473 nan 8.210 nan 0.000 0.440 144 S N -0.122 115.608 115.700 0.051 0.000 2.593 144 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 144 S C 0.962 175.581 174.600 0.032 0.000 0.966 144 S CA -0.005 58.224 58.200 0.049 0.000 0.914 144 S CB -0.330 62.908 63.200 0.064 0.000 0.776 144 S HN 0.439 nan 8.310 nan 0.000 0.523 145 S N 2.923 118.605 115.700 -0.030 0.000 2.552 145 S HA 0.027 4.496 4.470 -0.000 0.000 0.289 145 S C -0.080 174.565 174.600 0.074 0.000 1.304 145 S CA -0.218 57.957 58.200 -0.041 0.000 1.063 145 S CB 0.342 63.287 63.200 -0.425 0.000 0.848 145 S HN 0.295 nan 8.310 nan 0.000 0.499 146 D N 1.822 122.340 120.400 0.196 0.000 2.347 146 D HA 0.130 4.770 4.640 -0.000 0.000 0.235 146 D C 0.281 176.748 176.300 0.277 0.000 1.149 146 D CA -0.266 53.847 54.000 0.188 0.000 0.850 146 D CB 0.531 41.434 40.800 0.171 0.000 1.061 146 D HN 0.562 nan 8.370 nan 0.000 0.487 147 E N 1.270 121.611 120.200 0.235 0.000 2.465 147 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 147 E C 0.521 177.351 176.600 0.384 0.000 1.028 147 E CA -0.270 56.340 56.400 0.350 0.000 0.899 147 E CB 0.367 30.292 29.700 0.375 0.000 1.032 147 E HN 0.436 nan 8.360 nan 0.000 0.468 148 S N 0.816 116.654 115.700 0.229 0.000 2.593 148 S HA 0.320 4.790 4.470 -0.000 0.000 0.269 148 S C -0.268 174.487 174.600 0.258 0.000 1.334 148 S CA -0.566 57.727 58.200 0.154 0.000 1.015 148 S CB 0.328 63.542 63.200 0.023 0.000 0.912 148 S HN 0.300 nan 8.310 nan 0.000 0.541 149 Y N -2.507 117.866 120.300 0.122 0.000 2.713 149 Y HA 0.711 5.261 4.550 -0.000 0.000 0.335 149 Y C -1.106 174.840 175.900 0.076 0.000 1.222 149 Y CA -1.146 57.010 58.100 0.094 0.000 1.061 149 Y CB 0.782 39.303 38.460 0.102 0.000 1.314 149 Y HN 0.633 nan 8.280 nan 0.000 0.453 150 T N 3.094 117.763 114.554 0.191 0.000 2.886 150 T HA 0.587 4.937 4.350 -0.000 0.000 0.292 150 T C -1.522 173.319 174.700 0.235 0.000 1.012 150 T CA -0.607 61.557 62.100 0.108 0.000 0.982 150 T CB 1.384 70.280 68.868 0.047 0.000 1.018 150 T HN 0.718 nan 8.240 nan 0.000 0.451 151 L N 3.824 125.177 121.223 0.216 0.000 2.349 151 L HA 0.579 4.919 4.340 -0.000 0.000 0.278 151 L C -1.257 175.691 176.870 0.130 0.000 0.996 151 L CA -0.870 54.089 54.840 0.197 0.000 0.825 151 L CB 1.265 43.489 42.059 0.275 0.000 1.243 151 L HN 0.508 nan 8.230 nan 0.000 0.412 152 L N 5.668 126.948 121.223 0.095 0.000 2.324 152 L HA 0.388 4.727 4.340 -0.000 0.000 0.274 152 L C -0.460 176.465 176.870 0.092 0.000 1.012 152 L CA -0.607 54.280 54.840 0.077 0.000 0.859 152 L CB 1.752 43.841 42.059 0.050 0.000 1.224 152 L HN 0.257 nan 8.230 nan 0.000 0.429 153 V N 4.656 124.641 119.914 0.118 0.000 2.339 153 V HA 0.321 4.441 4.120 -0.000 0.000 0.261 153 V C 0.173 176.326 176.094 0.098 0.000 1.058 153 V CA -0.287 62.102 62.300 0.148 0.000 0.897 153 V CB 0.420 32.345 31.823 0.171 0.000 1.052 153 V HN 0.763 nan 8.190 nan 0.000 0.480 154 K N 3.289 123.743 120.400 0.091 0.000 2.533 154 K HA 0.751 5.071 4.320 -0.000 0.000 0.272 154 K C -1.042 175.602 176.600 0.072 0.000 0.985 154 K CA -1.091 55.235 56.287 0.066 0.000 0.876 154 K CB 2.426 34.955 32.500 0.049 0.000 1.452 154 K HN 0.459 nan 8.250 nan 0.000 0.439 155 E N 0.683 120.918 120.200 0.059 0.000 2.242 155 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 155 E C -1.837 174.792 176.600 0.050 0.000 1.002 155 E CA -1.610 54.828 56.400 0.064 0.000 0.841 155 E CB 1.110 30.844 29.700 0.057 0.000 1.109 155 E HN 0.479 nan 8.360 nan 0.000 0.394 156 P HA 0.072 nan 4.420 nan 0.000 0.239 156 P C -0.454 176.886 177.300 0.067 0.000 1.188 156 P CA 0.125 63.262 63.100 0.061 0.000 0.794 156 P CB 0.470 32.197 31.700 0.045 0.000 0.937 157 V N 0.774 120.716 119.914 0.046 0.000 2.531 157 V HA 0.597 4.717 4.120 -0.000 0.000 0.301 157 V C 0.171 176.281 176.094 0.026 0.000 1.034 157 V CA -1.083 61.233 62.300 0.025 0.000 0.865 157 V CB 1.550 33.366 31.823 -0.010 0.000 0.995 157 V HN 0.134 nan 8.190 nan 0.000 0.424 158 A N 4.548 127.384 122.820 0.027 0.000 2.279 158 A HA 0.883 5.203 4.320 -0.000 0.000 0.303 158 A C -0.614 176.936 177.584 -0.057 0.000 1.108 158 A CA -0.473 51.576 52.037 0.020 0.000 0.830 158 A CB 1.266 20.308 19.000 0.069 0.000 1.106 158 A HN 0.745 nan 8.150 nan 0.000 0.493 159 V N 1.591 121.482 119.914 -0.038 0.000 2.577 159 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 159 V C -1.097 174.975 176.094 -0.038 0.000 1.042 159 V CA -0.433 61.834 62.300 -0.054 0.000 0.872 159 V CB 1.442 33.254 31.823 -0.018 0.000 0.998 159 V HN 0.824 nan 8.190 nan 0.000 0.423 160 L N 5.048 126.228 121.223 -0.072 0.000 2.319 160 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 160 L C -0.520 176.360 176.870 0.016 0.000 1.005 160 L CA -0.066 54.760 54.840 -0.024 0.000 0.828 160 L CB 1.187 43.178 42.059 -0.113 0.000 1.227 160 L HN 0.699 nan 8.230 nan 0.000 0.415 161 K N 4.332 124.778 120.400 0.077 0.000 2.324 161 K HA 0.933 5.253 4.320 -0.000 0.000 0.253 161 K C -1.644 175.030 176.600 0.123 0.000 0.932 161 K CA -0.483 55.849 56.287 0.075 0.000 0.799 161 K CB 1.778 34.312 32.500 0.056 0.000 1.154 161 K HN 0.826 nan 8.250 nan 0.000 0.425 162 A N 2.872 125.755 122.820 0.104 0.000 2.594 162 A HA 0.316 4.636 4.320 -0.000 0.000 0.295 162 A C -0.366 177.269 177.584 0.087 0.000 1.071 162 A CA -0.813 51.302 52.037 0.130 0.000 0.685 162 A CB 1.354 20.454 19.000 0.166 0.000 1.285 162 A HN 0.833 nan 8.150 nan 0.000 0.405 163 N N 0.397 119.153 118.700 0.093 0.000 2.188 163 N HA -0.039 4.701 4.740 -0.000 0.000 0.184 163 N C 0.300 175.846 175.510 0.061 0.000 1.018 163 N CA 1.187 54.282 53.050 0.074 0.000 0.858 163 N CB -0.066 38.472 38.487 0.086 0.000 0.989 163 N HN 0.588 nan 8.380 nan 0.000 0.426 164 R N -0.772 119.769 120.500 0.069 0.000 2.855 164 R HA 0.248 4.588 4.340 -0.000 0.000 0.266 164 R C 1.337 177.551 176.300 -0.143 0.000 1.034 164 R CA -0.497 55.588 56.100 -0.024 0.000 0.944 164 R CB 0.510 30.873 30.300 0.104 0.000 1.219 164 R HN -0.120 nan 8.270 nan 0.000 0.474 165 V N -1.886 117.775 119.914 -0.422 0.000 2.568 165 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 165 V C 1.475 177.354 176.094 -0.358 0.000 1.072 165 V CA 1.307 63.338 62.300 -0.448 0.000 1.084 165 V CB -0.765 30.652 31.823 -0.676 0.000 0.676 165 V HN 0.724 nan 8.190 nan 0.000 0.469 166 W N 1.738 123.082 121.300 0.073 0.000 2.338 166 W HA 0.103 4.763 4.660 -0.000 0.000 0.304 166 W C 2.718 179.312 176.519 0.124 0.000 1.212 166 W CA 1.009 58.410 57.345 0.094 0.000 1.264 166 W CB -1.100 28.424 29.460 0.106 0.000 1.142 166 W HN 0.316 nan 8.180 nan 0.000 0.512 167 G N 0.301 109.281 108.800 0.301 0.000 2.422 167 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 167 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 167 G C 1.656 176.649 174.900 0.155 0.000 1.140 167 G CA 1.080 46.370 45.100 0.317 0.000 0.775 167 G HN 0.313 nan 8.290 nan 0.000 0.545 168 A N 0.698 123.558 122.820 0.066 0.000 1.898 168 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 168 A C 2.404 179.942 177.584 -0.077 0.000 1.181 168 A CA 1.076 53.105 52.037 -0.013 0.000 0.620 168 A CB -0.398 18.610 19.000 0.014 0.000 0.819 168 A HN 0.342 nan 8.150 nan 0.000 0.442 169 L N -0.827 120.389 121.223 -0.011 0.000 2.012 169 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 169 L C 2.896 179.702 176.870 -0.108 0.000 1.073 169 L CA 1.397 56.237 54.840 0.001 0.000 0.748 169 L CB -0.519 41.614 42.059 0.124 0.000 0.891 169 L HN 0.309 nan 8.230 nan 0.000 0.431 170 R N 0.087 120.533 120.500 -0.089 0.000 2.081 170 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 170 R C 2.250 178.169 176.300 -0.636 0.000 1.131 170 R CA 1.412 57.376 56.100 -0.226 0.000 0.960 170 R CB -1.415 28.906 30.300 0.034 0.000 0.856 170 R HN 0.441 nan 8.270 nan 0.000 0.436 171 G N 1.126 109.357 108.800 -0.947 0.000 2.422 171 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 171 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 171 G C 1.648 176.243 174.900 -0.508 0.000 1.146 171 G CA 0.288 44.704 45.100 -1.140 0.000 0.769 171 G HN 0.186 nan 8.290 nan 0.000 0.547 172 L N 0.071 121.025 121.223 -0.448 0.000 2.046 172 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 172 L C 2.792 179.260 176.870 -0.670 0.000 1.077 172 L CA 1.490 56.019 54.840 -0.518 0.000 0.747 172 L CB -0.307 41.353 42.059 -0.664 0.000 0.896 172 L HN 0.245 nan 8.230 nan 0.000 0.432 173 E N 0.176 119.985 120.200 -0.650 0.000 2.051 173 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 173 E C 2.019 178.530 176.600 -0.148 0.000 0.991 173 E CA 2.194 58.422 56.400 -0.286 0.000 0.799 173 E CB -0.290 29.367 29.700 -0.072 0.000 0.748 173 E HN 0.277 nan 8.360 nan 0.000 0.449 174 T N 0.371 114.813 114.554 -0.185 0.000 2.720 174 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 174 T C 1.496 176.179 174.700 -0.028 0.000 1.037 174 T CA 1.335 63.382 62.100 -0.088 0.000 1.144 174 T CB -0.615 68.235 68.868 -0.031 0.000 0.864 174 T HN 0.264 nan 8.240 nan 0.000 0.444 175 F N 2.669 122.524 119.950 -0.158 0.000 2.126 175 F HA -0.183 4.343 4.527 -0.000 0.000 0.299 175 F C 2.622 178.363 175.800 -0.098 0.000 1.096 175 F CA 1.598 59.534 58.000 -0.106 0.000 1.255 175 F CB -0.578 38.352 39.000 -0.117 0.000 0.997 175 F HN 0.222 nan 8.300 nan 0.000 0.479 176 S N -0.507 115.140 115.700 -0.088 0.000 2.402 176 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 176 S C 1.785 176.277 174.600 -0.180 0.000 1.021 176 S CA 1.210 59.334 58.200 -0.127 0.000 0.974 176 S CB -0.761 62.524 63.200 0.141 0.000 0.800 176 S HN 0.665 nan 8.310 nan 0.000 0.484 177 Q N 0.344 120.066 119.800 -0.129 0.000 2.378 177 Q HA 0.245 4.585 4.340 -0.000 0.000 0.205 177 Q C 1.916 177.850 176.000 -0.111 0.000 0.954 177 Q CA 0.680 56.424 55.803 -0.098 0.000 0.901 177 Q CB -0.264 28.444 28.738 -0.050 0.000 0.981 177 Q HN 0.565 nan 8.270 nan 0.000 0.483 178 L N -0.056 121.056 121.223 -0.184 0.000 2.341 178 L HA 0.046 4.386 4.340 -0.000 0.000 0.214 178 L C 0.509 177.299 176.870 -0.132 0.000 1.115 178 L CA -0.011 54.740 54.840 -0.148 0.000 0.820 178 L CB 0.419 42.367 42.059 -0.185 0.000 0.944 178 L HN -0.045 nan 8.230 nan 0.000 0.452 179 V N 0.367 120.097 119.914 -0.307 0.000 2.583 179 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 179 V C -0.410 175.644 176.094 -0.066 0.000 1.051 179 V CA -0.345 61.773 62.300 -0.303 0.000 1.010 179 V CB 0.392 31.909 31.823 -0.509 0.000 0.988 179 V HN 0.213 nan 8.190 nan 0.000 0.478 180 Y N 1.689 121.903 120.300 -0.144 0.000 2.655 180 Y HA 0.711 5.261 4.550 -0.000 0.000 0.336 180 Y C -0.687 175.130 175.900 -0.139 0.000 1.154 180 Y CA -1.401 56.622 58.100 -0.128 0.000 1.055 180 Y CB 1.530 39.916 38.460 -0.123 0.000 1.295 180 Y HN 0.445 nan 8.280 nan 0.000 0.465 181 Q N 2.442 122.189 119.800 -0.089 0.000 2.271 181 Q HA 0.239 4.579 4.340 -0.000 0.000 0.258 181 Q C -0.902 175.078 176.000 -0.033 0.000 0.936 181 Q CA -1.007 54.627 55.803 -0.281 0.000 0.909 181 Q CB 1.618 30.100 28.738 -0.426 0.000 1.253 181 Q HN 0.788 nan 8.270 nan 0.000 0.440 182 D N 0.299 120.676 120.400 -0.037 0.000 2.398 182 D HA 0.014 4.654 4.640 -0.000 0.000 0.264 182 D C 0.475 176.777 176.300 0.005 0.000 1.263 182 D CA -0.317 53.742 54.000 0.097 0.000 1.037 182 D CB 0.371 41.260 40.800 0.148 0.000 1.101 182 D HN 0.295 nan 8.370 nan 0.000 0.551 183 S N -1.583 114.106 115.700 -0.020 0.000 2.440 183 S HA -0.185 4.285 4.470 -0.000 0.000 0.240 183 S C 0.903 175.259 174.600 -0.407 0.000 1.014 183 S CA 1.011 59.078 58.200 -0.222 0.000 0.980 183 S CB -0.593 62.421 63.200 -0.310 0.000 0.775 183 S HN 0.482 nan 8.310 nan 0.000 0.499 184 Y N 0.034 120.308 120.300 -0.043 0.000 2.555 184 Y HA 0.403 4.953 4.550 0.000 0.000 0.259 184 Y C 1.608 177.456 175.900 -0.087 0.000 1.179 184 Y CA -0.107 57.959 58.100 -0.055 0.000 1.230 184 Y CB 0.199 38.628 38.460 -0.051 0.000 1.146 184 Y HN 0.242 nan 8.280 nan 0.000 0.526 185 G N 0.090 108.865 108.800 -0.042 0.000 2.159 185 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 185 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 185 G C 0.193 174.938 174.900 -0.258 0.000 0.977 185 G CA 0.281 45.286 45.100 -0.158 0.000 0.652 185 G HN 0.257 nan 8.290 nan 0.000 0.531 186 T N 1.546 116.020 114.554 -0.133 0.000 2.834 186 T HA 0.438 4.787 4.350 -0.000 0.000 0.298 186 T C 0.366 174.958 174.700 -0.180 0.000 0.966 186 T CA 0.016 62.050 62.100 -0.110 0.000 1.141 186 T CB 0.438 69.266 68.868 -0.067 0.000 0.905 186 T HN 0.202 nan 8.240 nan 0.000 0.535 187 F N 3.041 123.000 119.950 0.015 0.000 2.541 187 F HA 0.258 4.785 4.527 -0.000 0.000 0.378 187 F C 1.396 177.145 175.800 -0.085 0.000 1.068 187 F CA 0.035 58.007 58.000 -0.047 0.000 1.199 187 F CB 0.291 39.325 39.000 0.056 0.000 1.091 187 F HN 0.448 nan 8.300 nan 0.000 0.555 188 T N 5.238 119.632 114.554 -0.268 0.000 2.906 188 T HA 0.704 5.053 4.350 -0.000 0.000 0.295 188 T C -1.107 173.162 174.700 -0.719 0.000 1.061 188 T CA -0.689 61.095 62.100 -0.526 0.000 1.000 188 T CB 2.219 70.656 68.868 -0.718 0.000 1.103 188 T HN 0.500 nan 8.240 nan 0.000 0.486 189 I N 1.602 121.890 120.570 -0.470 0.000 2.775 189 I HA 0.427 4.597 4.170 -0.000 0.000 0.295 189 I C -1.601 174.450 176.117 -0.111 0.000 1.287 189 I CA -0.860 60.288 61.300 -0.252 0.000 1.029 189 I CB 2.180 40.036 38.000 -0.240 0.000 1.282 189 I HN 0.505 nan 8.210 nan 0.000 0.426 190 N N 5.170 123.885 118.700 0.025 0.000 2.499 190 N HA 0.176 4.916 4.740 -0.000 0.000 0.281 190 N C -0.728 174.795 175.510 0.020 0.000 1.098 190 N CA -0.310 52.759 53.050 0.032 0.000 0.979 190 N CB 0.890 39.420 38.487 0.071 0.000 1.121 190 N HN 0.496 nan 8.380 nan 0.000 0.466 191 E N 1.045 121.254 120.200 0.015 0.000 2.465 191 E HA 0.119 4.469 4.350 -0.000 0.000 0.260 191 E C -0.753 175.870 176.600 0.038 0.000 0.980 191 E CA 0.258 56.676 56.400 0.030 0.000 0.927 191 E CB 0.239 29.953 29.700 0.023 0.000 0.934 191 E HN 0.716 nan 8.360 nan 0.000 0.459 192 S N 2.356 118.087 115.700 0.052 0.000 2.615 192 S HA 0.428 4.898 4.470 -0.000 0.000 0.268 192 S C -1.013 173.624 174.600 0.062 0.000 1.146 192 S CA -1.034 57.196 58.200 0.051 0.000 0.818 192 S CB 1.978 65.209 63.200 0.051 0.000 1.111 192 S HN 0.329 nan 8.310 nan 0.000 0.465 193 T N 1.967 116.553 114.554 0.053 0.000 2.879 193 T HA 0.640 4.990 4.350 -0.000 0.000 0.290 193 T C -1.092 173.640 174.700 0.052 0.000 0.993 193 T CA -0.549 61.583 62.100 0.054 0.000 0.975 193 T CB 0.853 69.742 68.868 0.036 0.000 0.981 193 T HN 0.612 nan 8.240 nan 0.000 0.439 194 I N 4.101 124.713 120.570 0.069 0.000 2.498 194 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 194 I C -0.480 175.633 176.117 -0.006 0.000 1.032 194 I CA -0.904 60.430 61.300 0.056 0.000 1.073 194 I CB 1.831 39.912 38.000 0.135 0.000 1.251 194 I HN 0.621 nan 8.210 nan 0.000 0.426 195 I N 4.755 125.284 120.570 -0.068 0.000 2.436 195 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 195 I C -0.927 175.060 176.117 -0.217 0.000 1.010 195 I CA -0.342 60.870 61.300 -0.147 0.000 1.098 195 I CB 2.300 40.249 38.000 -0.085 0.000 1.266 195 I HN 0.437 nan 8.210 nan 0.000 0.434 196 D N 3.827 123.973 120.400 -0.423 0.000 2.753 196 D HA 0.683 5.323 4.640 -0.000 0.000 0.224 196 D C -1.390 174.760 176.300 -0.251 0.000 1.213 196 D CA -0.104 53.707 54.000 -0.316 0.000 0.833 196 D CB 2.311 42.887 40.800 -0.374 0.000 1.607 196 D HN 0.590 nan 8.370 nan 0.000 0.463 197 S N 1.440 117.041 115.700 -0.164 0.000 2.552 197 S HA 0.717 5.187 4.470 -0.000 0.000 0.272 197 S C -3.051 171.049 174.600 -0.832 0.000 1.150 197 S CA -1.209 56.796 58.200 -0.326 0.000 0.849 197 S CB 2.256 65.311 63.200 -0.240 0.000 1.113 197 S HN 0.286 nan 8.310 nan 0.000 0.458 198 P HA 0.319 nan 4.420 nan 0.000 0.279 198 P C 0.266 177.104 177.300 -0.769 0.000 1.239 198 P CA -0.532 61.665 63.100 -1.506 0.000 0.789 198 P CB 1.305 32.288 31.700 -1.195 0.000 0.933 199 R N 1.797 121.875 120.500 -0.703 0.000 2.075 199 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 199 R C 0.009 175.850 176.300 -0.764 0.000 1.126 199 R CA 1.206 56.891 56.100 -0.692 0.000 0.963 199 R CB -0.081 29.781 30.300 -0.729 0.000 0.858 199 R HN 0.384 nan 8.270 nan 0.000 0.435 200 F N -1.231 118.662 119.950 -0.095 0.000 2.561 200 F HA 0.354 4.881 4.527 -0.000 0.000 0.321 200 F C 1.058 176.850 175.800 -0.013 0.000 1.065 200 F CA -0.846 57.167 58.000 0.022 0.000 0.934 200 F CB 2.228 41.322 39.000 0.158 0.000 1.215 200 F HN -0.219 nan 8.300 nan 0.000 0.471 201 S N -0.915 114.926 115.700 0.234 0.000 2.439 201 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 201 S C 0.154 174.834 174.600 0.133 0.000 1.029 201 S CA 0.475 58.751 58.200 0.127 0.000 0.946 201 S CB -0.345 62.913 63.200 0.097 0.000 0.797 201 S HN 0.601 nan 8.310 nan 0.000 0.504 202 H N 1.735 120.852 119.070 0.079 0.000 2.597 202 H HA 0.426 4.981 4.556 -0.000 0.000 0.303 202 H C -0.423 174.957 175.328 0.086 0.000 1.057 202 H CA -0.535 55.536 56.048 0.038 0.000 1.261 202 H CB 0.199 29.929 29.762 -0.053 0.000 1.397 202 H HN -0.017 nan 8.280 nan 0.000 0.461 203 R N 4.454 124.973 120.500 0.032 0.000 2.487 203 R HA 0.341 4.681 4.340 -0.000 0.000 0.288 203 R C -0.627 175.841 176.300 0.281 0.000 1.394 203 R CA -0.660 55.525 56.100 0.143 0.000 1.155 203 R CB 1.647 31.959 30.300 0.019 0.000 1.156 203 R HN 0.679 nan 8.270 nan 0.000 0.553 204 G N 2.137 111.147 108.800 0.351 0.000 2.568 204 G HA2 0.647 4.607 3.960 -0.000 0.000 0.313 204 G HA3 0.647 4.607 3.960 -0.000 0.000 0.313 204 G C -0.728 174.256 174.900 0.139 0.000 1.227 204 G CA -0.456 44.811 45.100 0.278 0.000 0.979 204 G HN 0.221 nan 8.290 nan 0.000 0.486 205 I N 0.733 121.259 120.570 -0.074 0.000 2.466 205 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 205 I C -0.484 175.492 176.117 -0.234 0.000 1.026 205 I CA -0.706 60.409 61.300 -0.307 0.000 1.078 205 I CB 1.497 39.225 38.000 -0.452 0.000 1.249 205 I HN 0.379 nan 8.210 nan 0.000 0.429 206 L N 7.955 128.962 121.223 -0.361 0.000 2.295 206 L HA 0.659 4.999 4.340 -0.000 0.000 0.285 206 L C -0.514 176.039 176.870 -0.528 0.000 1.035 206 L CA -0.443 54.097 54.840 -0.500 0.000 0.806 206 L CB 1.091 42.626 42.059 -0.872 0.000 1.214 206 L HN 0.584 nan 8.230 nan 0.000 0.426 207 I N 0.809 121.142 120.570 -0.394 0.000 2.797 207 I HA 0.595 4.765 4.170 -0.000 0.000 0.307 207 I C -1.304 174.674 176.117 -0.232 0.000 1.033 207 I CA -0.757 60.348 61.300 -0.325 0.000 1.071 207 I CB 1.997 39.829 38.000 -0.281 0.000 1.255 207 I HN 0.471 nan 8.210 nan 0.000 0.445 208 D N 2.926 123.239 120.400 -0.145 0.000 2.471 208 D HA 0.263 4.903 4.640 -0.000 0.000 0.245 208 D C 0.186 176.574 176.300 0.147 0.000 1.116 208 D CA -0.416 53.597 54.000 0.022 0.000 0.853 208 D CB 1.760 42.553 40.800 -0.012 0.000 1.123 208 D HN 0.758 nan 8.370 nan 0.000 0.540 209 T N -0.028 114.676 114.554 0.251 0.000 3.176 209 T HA 0.151 4.501 4.350 -0.000 0.000 0.263 209 T C 1.138 176.040 174.700 0.336 0.000 1.021 209 T CA -0.077 62.225 62.100 0.336 0.000 0.905 209 T CB 0.348 69.549 68.868 0.555 0.000 1.057 209 T HN 0.137 nan 8.240 nan 0.000 0.558 210 S N 0.940 116.789 115.700 0.248 0.000 2.517 210 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 210 S C 2.011 176.716 174.600 0.176 0.000 1.060 210 S CA -0.119 58.181 58.200 0.167 0.000 0.937 210 S CB -0.034 63.249 63.200 0.138 0.000 0.840 210 S HN 0.301 nan 8.310 nan 0.000 0.546 211 R N 0.577 121.179 120.500 0.170 0.000 2.159 211 R HA 0.185 4.525 4.340 -0.000 0.000 0.237 211 R C -0.053 176.179 176.300 -0.114 0.000 1.131 211 R CA 1.164 57.298 56.100 0.056 0.000 0.982 211 R CB -0.374 29.958 30.300 0.053 0.000 0.868 211 R HN 0.547 nan 8.270 nan 0.000 0.453 212 H N -3.146 116.094 119.070 0.284 0.000 3.029 212 H HA 0.186 4.742 4.556 -0.000 0.000 0.358 212 H C -1.645 173.900 175.328 0.362 0.000 1.129 212 H CA -0.917 55.302 56.048 0.284 0.000 1.230 212 H CB 1.213 31.062 29.762 0.145 0.000 1.827 212 H HN 0.007 nan 8.280 nan 0.000 0.530 213 Y N 3.410 123.973 120.300 0.439 0.000 2.346 213 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 213 Y C -0.978 175.111 175.900 0.315 0.000 1.178 213 Y CA -0.249 58.084 58.100 0.390 0.000 1.331 213 Y CB 0.513 39.242 38.460 0.448 0.000 1.253 213 Y HN 0.448 nan 8.280 nan 0.000 0.529 214 L N 9.063 130.098 121.223 -0.312 0.000 2.325 214 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 214 L C -2.234 174.369 176.870 -0.444 0.000 1.004 214 L CA -2.368 52.343 54.840 -0.215 0.000 0.823 214 L CB 1.710 43.715 42.059 -0.090 0.000 1.236 214 L HN 0.573 nan 8.230 nan 0.000 0.415 215 P HA -0.004 nan 4.420 nan 0.000 0.267 215 P C 1.085 178.364 177.300 -0.035 0.000 1.200 215 P CA -0.231 62.839 63.100 -0.050 0.000 0.772 215 P CB 1.361 33.100 31.700 0.066 0.000 0.855 216 V N 3.203 123.155 119.914 0.063 0.000 2.317 216 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 216 V C 2.463 178.495 176.094 -0.103 0.000 1.065 216 V CA 2.144 64.449 62.300 0.009 0.000 1.049 216 V CB -1.181 30.686 31.823 0.074 0.000 0.651 216 V HN 0.644 nan 8.190 nan 0.000 0.450 217 K N -0.547 119.809 120.400 -0.074 0.000 2.103 217 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 217 K C 2.059 178.588 176.600 -0.118 0.000 1.048 217 K CA 1.823 58.045 56.287 -0.108 0.000 0.930 217 K CB -0.304 32.162 32.500 -0.058 0.000 0.716 217 K HN 0.438 nan 8.250 nan 0.000 0.444 218 I N 0.822 121.336 120.570 -0.094 0.000 2.500 218 I HA -0.174 3.996 4.170 -0.000 0.000 0.252 218 I C 1.785 177.820 176.117 -0.135 0.000 1.142 218 I CA 0.807 62.054 61.300 -0.088 0.000 1.451 218 I CB 0.170 38.134 38.000 -0.059 0.000 1.093 218 I HN 0.095 nan 8.210 nan 0.000 0.430 219 I N 0.125 120.576 120.570 -0.198 0.000 2.252 219 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 219 I C 2.255 178.218 176.117 -0.257 0.000 1.102 219 I CA 1.279 62.407 61.300 -0.287 0.000 1.385 219 I CB -0.374 37.355 38.000 -0.452 0.000 1.064 219 I HN 0.202 nan 8.210 nan 0.000 0.414 220 L N 0.575 121.616 121.223 -0.304 0.000 2.017 220 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 220 L C 2.640 179.383 176.870 -0.211 0.000 1.073 220 L CA 1.414 55.984 54.840 -0.450 0.000 0.745 220 L CB -0.719 40.871 42.059 -0.781 0.000 0.894 220 L HN 0.200 nan 8.230 nan 0.000 0.432 221 K N 0.294 120.600 120.400 -0.157 0.000 2.063 221 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 221 K C 1.927 178.479 176.600 -0.080 0.000 1.048 221 K CA 2.023 58.262 56.287 -0.081 0.000 0.928 221 K CB -0.365 32.103 32.500 -0.053 0.000 0.713 221 K HN 0.116 nan 8.250 nan 0.000 0.442 222 T N 1.067 115.588 114.554 -0.054 0.000 2.821 222 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 222 T C 1.649 176.333 174.700 -0.026 0.000 1.046 222 T CA 1.370 63.487 62.100 0.027 0.000 1.139 222 T CB -0.160 68.707 68.868 -0.002 0.000 0.871 222 T HN 0.131 nan 8.240 nan 0.000 0.454 223 L N 0.859 122.053 121.223 -0.048 0.000 2.083 223 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 223 L C 2.528 179.329 176.870 -0.115 0.000 1.083 223 L CA 1.149 55.984 54.840 -0.008 0.000 0.752 223 L CB -0.511 41.624 42.059 0.126 0.000 0.899 223 L HN 0.191 nan 8.230 nan 0.000 0.433 224 D N 0.138 120.435 120.400 -0.172 0.000 2.117 224 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 224 D C 2.212 177.800 176.300 -1.187 0.000 0.987 224 D CA 1.588 55.264 54.000 -0.541 0.000 0.829 224 D CB 0.053 40.633 40.800 -0.365 0.000 0.961 224 D HN 0.333 nan 8.370 nan 0.000 0.460 225 A N 0.687 122.983 122.820 -0.872 0.000 1.930 225 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 225 A C 2.283 179.364 177.584 -0.838 0.000 1.175 225 A CA 1.150 52.550 52.037 -1.061 0.000 0.627 225 A CB -0.502 17.659 19.000 -1.398 0.000 0.815 225 A HN 0.146 nan 8.150 nan 0.000 0.443 226 M N -0.490 118.878 119.600 -0.386 0.000 2.117 226 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 226 M C 2.542 178.874 176.300 0.053 0.000 1.065 226 M CA 1.520 56.851 55.300 0.051 0.000 1.114 226 M CB -0.427 32.265 32.600 0.153 0.000 1.361 226 M HN 0.478 nan 8.290 nan 0.000 0.408 227 A N 0.317 123.053 122.820 -0.140 0.000 1.902 227 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 227 A C 1.767 179.388 177.584 0.062 0.000 1.181 227 A CA 1.530 53.540 52.037 -0.045 0.000 0.623 227 A CB -0.969 17.969 19.000 -0.103 0.000 0.818 227 A HN 0.432 nan 8.150 nan 0.000 0.443 228 F N 0.484 120.403 119.950 -0.052 0.000 2.269 228 F HA -0.083 4.444 4.527 -0.000 0.000 0.301 228 F C 1.912 177.753 175.800 0.068 0.000 1.082 228 F CA 0.691 58.660 58.000 -0.052 0.000 1.360 228 F CB -0.666 38.208 39.000 -0.210 0.000 1.041 228 F HN 0.291 nan 8.300 nan 0.000 0.512 229 N N 0.184 119.036 118.700 0.253 0.000 2.205 229 N HA -0.028 4.712 4.740 -0.000 0.000 0.201 229 N C 0.188 175.777 175.510 0.132 0.000 1.128 229 N CA 0.149 53.397 53.050 0.330 0.000 0.867 229 N CB 0.379 39.212 38.487 0.577 0.000 0.996 229 N HN 0.069 nan 8.380 nan 0.000 0.503 230 K N -0.002 120.430 120.400 0.052 0.000 3.281 230 K HA -0.176 4.144 4.320 -0.000 0.000 0.295 230 K C -0.451 176.175 176.600 0.044 0.000 1.233 230 K CA 0.562 56.818 56.287 -0.053 0.000 0.866 230 K CB -2.238 30.015 32.500 -0.410 0.000 1.265 230 K HN 0.144 nan 8.250 nan 0.000 0.482 231 F N 1.988 122.025 119.950 0.146 0.000 2.459 231 F HA 0.068 4.595 4.527 -0.000 0.000 0.346 231 F C 1.759 177.624 175.800 0.108 0.000 1.128 231 F CA 0.414 58.505 58.000 0.150 0.000 1.268 231 F CB 0.503 39.602 39.000 0.165 0.000 1.161 231 F HN 0.165 nan 8.300 nan 0.000 0.583 232 N N 0.053 118.890 118.700 0.229 0.000 2.160 232 N HA 0.149 4.889 4.740 -0.000 0.000 0.226 232 N C -1.285 174.245 175.510 0.034 0.000 1.256 232 N CA 0.160 53.283 53.050 0.121 0.000 0.890 232 N CB 0.361 38.903 38.487 0.091 0.000 1.116 232 N HN 0.176 nan 8.380 nan 0.000 0.517 233 V N 1.420 121.355 119.914 0.034 0.000 2.623 233 V HA 0.405 4.525 4.120 -0.000 0.000 0.304 233 V C -1.283 174.822 176.094 0.018 0.000 1.054 233 V CA -0.917 61.349 62.300 -0.057 0.000 0.882 233 V CB 2.239 33.852 31.823 -0.350 0.000 1.002 233 V HN 0.177 nan 8.190 nan 0.000 0.424 234 L N 4.795 126.034 121.223 0.027 0.000 2.264 234 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 234 L C -0.043 176.873 176.870 0.076 0.000 1.039 234 L CA 0.048 54.895 54.840 0.011 0.000 0.829 234 L CB 0.660 42.699 42.059 -0.033 0.000 1.211 234 L HN 0.787 nan 8.230 nan 0.000 0.427 235 H N 5.228 124.269 119.070 -0.048 0.000 2.911 235 H HA 0.094 4.650 4.556 -0.000 0.000 0.273 235 H C -1.165 174.144 175.328 -0.032 0.000 1.157 235 H CA -0.652 55.373 56.048 -0.038 0.000 1.402 235 H CB 0.408 30.135 29.762 -0.059 0.000 1.463 235 H HN 0.720 nan 8.280 nan 0.000 0.475 236 W N 7.134 128.435 121.300 0.002 0.000 2.360 236 W HA 0.104 4.764 4.660 -0.000 0.000 0.344 236 W C -0.746 175.679 176.519 -0.156 0.000 1.025 236 W CA -1.026 56.240 57.345 -0.131 0.000 1.480 236 W CB -0.709 28.628 29.460 -0.204 0.000 1.350 236 W HN 0.698 nan 8.180 nan 0.000 0.382 237 H N 5.958 125.078 119.070 0.084 0.000 2.982 237 H HA 0.108 4.664 4.556 -0.000 0.000 0.261 237 H C 1.450 176.730 175.328 -0.080 0.000 1.603 237 H CA 0.310 56.310 56.048 -0.081 0.000 1.398 237 H CB 0.047 29.686 29.762 -0.206 0.000 1.693 237 H HN 0.601 nan 8.280 nan 0.000 0.535 238 I N 3.438 123.714 120.570 -0.490 0.000 2.353 238 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 238 I C -0.062 175.819 176.117 -0.392 0.000 1.119 238 I CA 0.746 61.693 61.300 -0.589 0.000 1.417 238 I CB 0.358 37.570 38.000 -1.315 0.000 1.078 238 I HN 0.378 nan 8.210 nan 0.000 0.421 239 V N -2.238 117.355 119.914 -0.535 0.000 3.074 239 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 239 V C -0.736 175.311 176.094 -0.078 0.000 1.117 239 V CA -0.753 61.339 62.300 -0.347 0.000 1.014 239 V CB 1.810 33.220 31.823 -0.689 0.000 1.057 239 V HN 0.193 nan 8.190 nan 0.000 0.438 240 D N -0.737 119.749 120.400 0.143 0.000 3.213 240 D HA 0.131 4.771 4.640 -0.000 0.000 0.357 240 D C -0.140 176.336 176.300 0.294 0.000 1.446 240 D CA -0.072 54.109 54.000 0.302 0.000 0.893 240 D CB 1.796 42.800 40.800 0.339 0.000 1.466 240 D HN 0.573 nan 8.370 nan 0.000 0.541 241 D N -0.082 120.472 120.400 0.257 0.000 2.123 241 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 241 D C 1.676 178.027 176.300 0.086 0.000 0.992 241 D CA 1.674 55.765 54.000 0.152 0.000 0.833 241 D CB 0.131 40.980 40.800 0.081 0.000 0.954 241 D HN 0.244 nan 8.370 nan 0.000 0.455 242 Q N 0.090 119.923 119.800 0.055 0.000 2.172 242 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 242 Q C 0.587 176.442 176.000 -0.242 0.000 0.964 242 Q CA 0.479 56.268 55.803 -0.023 0.000 0.855 242 Q CB 0.261 29.026 28.738 0.045 0.000 0.918 242 Q HN 0.243 nan 8.270 nan 0.000 0.444 243 S N -1.856 113.694 115.700 -0.248 0.000 2.567 243 S HA 0.528 4.998 4.470 -0.000 0.000 0.270 243 S C -1.558 172.991 174.600 -0.085 0.000 1.152 243 S CA -1.001 56.959 58.200 -0.400 0.000 0.835 243 S CB 0.529 63.072 63.200 -1.095 0.000 1.115 243 S HN 0.118 nan 8.310 nan 0.000 0.459 244 F N 3.473 123.322 119.950 -0.167 0.000 2.451 244 F HA 0.516 5.043 4.527 -0.000 0.000 0.367 244 F C -1.969 173.825 175.800 -0.010 0.000 1.100 244 F CA -2.049 55.896 58.000 -0.091 0.000 1.171 244 F CB 2.098 41.006 39.000 -0.154 0.000 1.405 244 F HN 0.462 nan 8.300 nan 0.000 0.482 245 P HA -0.152 nan 4.420 nan 0.000 0.227 245 P C 0.204 177.649 177.300 0.242 0.000 1.161 245 P CA 0.688 63.885 63.100 0.162 0.000 0.788 245 P CB -0.080 31.792 31.700 0.287 0.000 0.822 246 Y N 2.186 122.514 120.300 0.047 0.000 2.650 246 Y HA 0.052 4.602 4.550 -0.000 0.000 0.331 246 Y C 0.739 176.822 175.900 0.305 0.000 1.165 246 Y CA -0.057 58.134 58.100 0.151 0.000 1.473 246 Y CB 0.139 38.628 38.460 0.048 0.000 1.224 246 Y HN -0.088 nan 8.280 nan 0.000 0.533 247 Q N 5.012 124.575 119.800 -0.394 0.000 2.337 247 Q HA 0.183 4.523 4.340 -0.000 0.000 0.255 247 Q C -0.748 174.840 176.000 -0.686 0.000 0.997 247 Q CA -0.337 55.264 55.803 -0.336 0.000 0.925 247 Q CB 0.720 29.346 28.738 -0.187 0.000 1.212 247 Q HN 0.697 nan 8.270 nan 0.000 0.436 248 S N 4.496 120.045 115.700 -0.252 0.000 2.457 248 S HA 0.251 4.721 4.470 -0.000 0.000 0.289 248 S C 1.144 175.714 174.600 -0.050 0.000 1.163 248 S CA -0.783 57.377 58.200 -0.066 0.000 1.078 248 S CB 0.530 63.963 63.200 0.388 0.000 0.987 248 S HN 0.707 nan 8.310 nan 0.000 0.482 249 I N 4.696 125.214 120.570 -0.087 0.000 2.353 249 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 249 I C 2.683 178.718 176.117 -0.136 0.000 1.119 249 I CA 1.615 62.856 61.300 -0.098 0.000 1.417 249 I CB -1.862 36.080 38.000 -0.097 0.000 1.078 249 I HN 0.855 nan 8.210 nan 0.000 0.421 250 T N -1.860 112.577 114.554 -0.194 0.000 2.904 250 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 250 T C 0.766 175.042 174.700 -0.707 0.000 1.059 250 T CA 0.692 62.522 62.100 -0.450 0.000 1.137 250 T CB -0.490 68.050 68.868 -0.547 0.000 0.879 250 T HN 0.098 nan 8.240 nan 0.000 0.467 251 F N 2.594 122.583 119.950 0.066 0.000 2.449 251 F HA 0.404 4.931 4.527 -0.000 0.000 0.344 251 F C -1.700 174.114 175.800 0.023 0.000 1.180 251 F CA -2.600 55.449 58.000 0.082 0.000 1.209 251 F CB 1.732 40.843 39.000 0.184 0.000 1.440 251 F HN -0.040 nan 8.300 nan 0.000 0.526 252 P HA -0.206 nan 4.420 nan 0.000 0.218 252 P C 1.071 178.387 177.300 0.027 0.000 1.148 252 P CA 1.529 64.647 63.100 0.029 0.000 0.822 252 P CB 0.463 32.161 31.700 -0.004 0.000 0.784 253 E N -0.250 119.975 120.200 0.041 0.000 2.347 253 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 253 E C 2.255 178.802 176.600 -0.088 0.000 1.008 253 E CA 0.348 56.741 56.400 -0.011 0.000 0.852 253 E CB -0.726 28.971 29.700 -0.004 0.000 0.783 253 E HN 0.366 nan 8.360 nan 0.000 0.505 254 L N 1.050 122.193 121.223 -0.134 0.000 2.012 254 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 254 L C 2.566 179.229 176.870 -0.346 0.000 1.073 254 L CA 1.886 56.443 54.840 -0.473 0.000 0.748 254 L CB -0.507 41.070 42.059 -0.803 0.000 0.891 254 L HN 0.182 nan 8.230 nan 0.000 0.431 255 S N -1.431 114.239 115.700 -0.049 0.000 2.421 255 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 255 S C 1.737 176.350 174.600 0.022 0.000 1.035 255 S CA 0.446 58.708 58.200 0.104 0.000 0.953 255 S CB -0.401 62.892 63.200 0.155 0.000 0.810 255 S HN 0.316 nan 8.310 nan 0.000 0.497 256 N N 2.126 120.821 118.700 -0.008 0.000 2.205 256 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 256 N C 1.391 176.887 175.510 -0.024 0.000 1.015 256 N CA 1.191 54.233 53.050 -0.014 0.000 0.862 256 N CB -0.161 38.316 38.487 -0.016 0.000 0.986 256 N HN 0.428 nan 8.380 nan 0.000 0.429 257 K N -1.190 119.181 120.400 -0.048 0.000 2.370 257 K HA 0.248 4.568 4.320 -0.000 0.000 0.194 257 K C 1.597 178.161 176.600 -0.060 0.000 1.070 257 K CA 0.362 56.615 56.287 -0.057 0.000 0.998 257 K CB 0.355 32.809 32.500 -0.078 0.000 0.911 257 K HN 0.154 nan 8.250 nan 0.000 0.533 258 G N 1.461 110.225 108.800 -0.062 0.000 2.921 258 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.213 258 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.213 258 G C 0.580 175.473 174.900 -0.011 0.000 1.143 258 G CA 0.009 45.090 45.100 -0.031 0.000 0.764 258 G HN 0.276 nan 8.290 nan 0.000 0.542 259 S N -0.763 114.939 115.700 0.004 0.000 2.614 259 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 259 S C 0.905 175.468 174.600 -0.060 0.000 1.303 259 S CA -0.502 57.680 58.200 -0.030 0.000 1.000 259 S CB 0.771 63.984 63.200 0.021 0.000 0.935 259 S HN 0.129 nan 8.310 nan 0.000 0.551 260 Y N 1.276 121.534 120.300 -0.070 0.000 2.242 260 Y HA 0.094 4.644 4.550 -0.000 0.000 0.291 260 Y C 1.623 177.429 175.900 -0.157 0.000 1.137 260 Y CA 1.057 59.051 58.100 -0.177 0.000 1.181 260 Y CB -0.426 37.793 38.460 -0.402 0.000 0.989 260 Y HN 0.989 nan 8.280 nan 0.000 0.527 261 S N -2.671 113.074 115.700 0.075 0.000 2.611 261 S HA 0.225 4.695 4.470 -0.000 0.000 0.270 261 S C -0.009 174.636 174.600 0.074 0.000 1.131 261 S CA -0.812 57.442 58.200 0.090 0.000 0.826 261 S CB 0.213 63.502 63.200 0.148 0.000 1.095 261 S HN 0.031 nan 8.310 nan 0.000 0.461 262 L N 1.553 122.792 121.223 0.028 0.000 2.353 262 L HA -0.028 4.312 4.340 -0.000 0.000 0.220 262 L C 2.326 179.153 176.870 -0.072 0.000 1.133 262 L CA 1.478 56.307 54.840 -0.018 0.000 0.798 262 L CB -0.671 41.379 42.059 -0.016 0.000 0.922 262 L HN 0.919 nan 8.230 nan 0.000 0.445 263 S N -2.891 112.761 115.700 -0.079 0.000 2.575 263 S HA -0.018 4.452 4.470 -0.000 0.000 0.215 263 S C 0.523 174.765 174.600 -0.598 0.000 0.966 263 S CA -0.172 57.883 58.200 -0.241 0.000 0.911 263 S CB -0.328 62.744 63.200 -0.213 0.000 0.780 263 S HN 0.438 nan 8.310 nan 0.000 0.514 264 H N 1.388 120.150 119.070 -0.513 0.000 2.412 264 H HA 0.589 5.144 4.556 -0.000 0.000 0.239 264 H C -0.230 174.619 175.328 -0.798 0.000 1.388 264 H CA -0.428 54.967 56.048 -1.089 0.000 1.148 264 H CB 0.591 30.032 29.762 -0.534 0.000 1.637 264 H HN 0.356 nan 8.280 nan 0.000 0.542 265 V N -2.631 116.967 119.914 -0.526 0.000 3.130 265 V HA 0.524 4.644 4.120 -0.000 0.000 0.310 265 V C -1.025 174.984 176.094 -0.143 0.000 1.158 265 V CA -1.219 60.965 62.300 -0.193 0.000 1.029 265 V CB 2.068 33.847 31.823 -0.072 0.000 1.057 265 V HN 0.183 nan 8.190 nan 0.000 0.436 266 Y N 1.555 122.019 120.300 0.274 0.000 2.478 266 Y HA 0.569 5.119 4.550 -0.000 0.000 0.329 266 Y C 1.228 177.187 175.900 0.098 0.000 0.967 266 Y CA -0.398 57.860 58.100 0.263 0.000 1.255 266 Y CB 1.624 40.285 38.460 0.335 0.000 1.103 266 Y HN 0.951 nan 8.280 nan 0.000 0.497 267 T N -0.034 114.632 114.554 0.187 0.000 2.766 267 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 267 T C -1.881 172.858 174.700 0.064 0.000 1.024 267 T CA -1.680 60.462 62.100 0.070 0.000 1.018 267 T CB 1.131 70.033 68.868 0.057 0.000 1.002 267 T HN 0.266 nan 8.240 nan 0.000 0.532 268 P HA -0.059 nan 4.420 nan 0.000 0.218 268 P C 1.343 178.662 177.300 0.033 0.000 1.148 268 P CA 0.816 63.909 63.100 -0.012 0.000 0.822 268 P CB -0.019 31.656 31.700 -0.041 0.000 0.784 269 N N -1.054 117.676 118.700 0.049 0.000 2.216 269 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 269 N C 1.315 176.888 175.510 0.106 0.000 1.017 269 N CA 1.069 54.158 53.050 0.065 0.000 0.861 269 N CB -0.742 37.777 38.487 0.054 0.000 0.986 269 N HN 0.042 nan 8.380 nan 0.000 0.428 270 D N -0.282 120.211 120.400 0.154 0.000 2.097 270 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 270 D C 1.977 178.429 176.300 0.253 0.000 0.989 270 D CA 0.702 54.840 54.000 0.230 0.000 0.827 270 D CB -0.260 40.767 40.800 0.380 0.000 0.966 270 D HN 0.016 nan 8.370 nan 0.000 0.456 271 V N 1.040 121.107 119.914 0.256 0.000 2.295 271 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 271 V C 2.493 178.679 176.094 0.152 0.000 1.049 271 V CA 1.525 63.979 62.300 0.255 0.000 1.024 271 V CB -0.368 31.524 31.823 0.116 0.000 0.648 271 V HN 0.112 nan 8.190 nan 0.000 0.447 272 R N -0.748 119.804 120.500 0.087 0.000 2.091 272 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 272 R C 2.284 178.663 176.300 0.132 0.000 1.136 272 R CA 2.036 58.186 56.100 0.083 0.000 0.959 272 R CB -0.482 29.858 30.300 0.066 0.000 0.856 272 R HN 0.419 nan 8.270 nan 0.000 0.437 273 M N 0.508 120.184 119.600 0.127 0.000 2.080 273 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 273 M C 1.964 178.349 176.300 0.142 0.000 1.068 273 M CA 1.629 57.004 55.300 0.126 0.000 1.109 273 M CB -0.172 32.480 32.600 0.086 0.000 1.342 273 M HN -0.061 nan 8.290 nan 0.000 0.405 274 V N 0.248 120.232 119.914 0.117 0.000 2.287 274 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 274 V C 2.401 178.600 176.094 0.175 0.000 1.053 274 V CA 2.190 64.531 62.300 0.069 0.000 1.027 274 V CB -0.711 31.097 31.823 -0.026 0.000 0.646 274 V HN 0.547 nan 8.190 nan 0.000 0.447 275 I N -0.118 120.588 120.570 0.227 0.000 2.179 275 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 275 I C 2.618 178.924 176.117 0.315 0.000 1.088 275 I CA 1.837 63.302 61.300 0.275 0.000 1.357 275 I CB -0.296 37.840 38.000 0.225 0.000 1.051 275 I HN 0.348 nan 8.210 nan 0.000 0.409 276 E N 0.497 120.861 120.200 0.273 0.000 2.107 276 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 276 E C 2.104 178.821 176.600 0.196 0.000 0.982 276 E CA 1.354 57.892 56.400 0.230 0.000 0.809 276 E CB -0.434 29.371 29.700 0.175 0.000 0.756 276 E HN 0.456 nan 8.360 nan 0.000 0.459 277 Y N 0.260 120.609 120.300 0.082 0.000 2.165 277 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 277 Y C 2.097 178.031 175.900 0.057 0.000 1.155 277 Y CA 1.935 60.064 58.100 0.049 0.000 1.164 277 Y CB -0.490 37.982 38.460 0.020 0.000 0.978 277 Y HN 0.163 nan 8.280 nan 0.000 0.513 278 A N 0.233 123.198 122.820 0.242 0.000 1.873 278 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 278 A C 2.353 180.026 177.584 0.148 0.000 1.186 278 A CA 1.650 53.790 52.037 0.171 0.000 0.616 278 A CB -0.798 18.309 19.000 0.177 0.000 0.823 278 A HN 0.491 nan 8.150 nan 0.000 0.442 279 R N -0.249 120.366 120.500 0.190 0.000 2.091 279 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 279 R C 1.863 178.263 176.300 0.167 0.000 1.136 279 R CA 1.682 57.899 56.100 0.194 0.000 0.959 279 R CB -0.479 29.891 30.300 0.117 0.000 0.856 279 R HN 0.526 nan 8.270 nan 0.000 0.437 280 L N 0.034 121.290 121.223 0.054 0.000 2.349 280 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 280 L C 1.754 178.639 176.870 0.024 0.000 1.130 280 L CA 1.214 56.049 54.840 -0.008 0.000 0.791 280 L CB -0.108 41.885 42.059 -0.110 0.000 0.918 280 L HN 0.164 nan 8.230 nan 0.000 0.444 281 R N -0.622 119.911 120.500 0.055 0.000 2.509 281 R HA 0.216 4.556 4.340 -0.000 0.000 0.300 281 R C 0.971 177.385 176.300 0.190 0.000 0.985 281 R CA 0.445 56.599 56.100 0.089 0.000 1.092 281 R CB 0.738 31.041 30.300 0.004 0.000 1.237 281 R HN 0.231 nan 8.270 nan 0.000 0.546 282 G N 1.692 110.675 108.800 0.304 0.000 2.246 282 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.273 282 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.273 282 G C -0.038 174.950 174.900 0.147 0.000 1.055 282 G CA 0.050 45.376 45.100 0.377 0.000 0.851 282 G HN 0.273 nan 8.290 nan 0.000 0.500 283 I N -0.235 120.409 120.570 0.123 0.000 2.433 283 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 283 I C 0.738 176.905 176.117 0.084 0.000 1.001 283 I CA -1.045 60.307 61.300 0.088 0.000 1.119 283 I CB 1.551 39.612 38.000 0.102 0.000 1.289 283 I HN 0.023 nan 8.210 nan 0.000 0.438 284 R N 4.309 124.835 120.500 0.044 0.000 2.441 284 R HA 0.498 4.838 4.340 -0.000 0.000 0.284 284 R C -0.915 175.442 176.300 0.096 0.000 1.070 284 R CA -0.625 55.515 56.100 0.067 0.000 1.047 284 R CB 1.467 31.777 30.300 0.016 0.000 1.016 284 R HN 0.326 nan 8.270 nan 0.000 0.477 285 V N 5.047 125.053 119.914 0.152 0.000 2.318 285 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 285 V C -0.560 175.615 176.094 0.135 0.000 1.030 285 V CA -0.628 61.785 62.300 0.188 0.000 0.844 285 V CB 1.086 33.111 31.823 0.336 0.000 1.015 285 V HN 0.457 nan 8.190 nan 0.000 0.460 286 L N 9.895 131.153 121.223 0.059 0.000 2.259 286 L HA 0.603 4.943 4.340 -0.000 0.000 0.288 286 L C -2.189 174.583 176.870 -0.164 0.000 1.051 286 L CA -1.530 53.285 54.840 -0.041 0.000 0.824 286 L CB 1.240 43.265 42.059 -0.056 0.000 1.206 286 L HN 0.358 nan 8.230 nan 0.000 0.429 287 P HA 0.173 nan 4.420 nan 0.000 0.284 287 P C -1.234 175.837 177.300 -0.381 0.000 1.253 287 P CA -0.344 62.369 63.100 -0.644 0.000 0.800 287 P CB 1.233 32.107 31.700 -1.376 0.000 0.961 288 E N 2.727 122.654 120.200 -0.454 0.000 2.191 288 E HA 0.368 4.718 4.350 -0.000 0.000 0.263 288 E C -1.568 174.759 176.600 -0.455 0.000 0.881 288 E CA -0.665 55.581 56.400 -0.257 0.000 0.757 288 E CB 0.751 30.366 29.700 -0.142 0.000 1.147 288 E HN 0.276 nan 8.360 nan 0.000 0.414 289 F N 3.257 123.283 119.950 0.127 0.000 2.453 289 F HA 0.175 4.702 4.527 -0.000 0.000 0.358 289 F C 0.196 176.292 175.800 0.493 0.000 1.129 289 F CA -0.857 57.338 58.000 0.325 0.000 1.200 289 F CB 0.840 40.163 39.000 0.538 0.000 1.431 289 F HN 0.360 nan 8.300 nan 0.000 0.503 290 D N 2.532 123.182 120.400 0.418 0.000 2.487 290 D HA 0.193 4.833 4.640 -0.000 0.000 0.243 290 D C 0.125 176.612 176.300 0.312 0.000 1.154 290 D CA 0.826 55.069 54.000 0.405 0.000 0.876 290 D CB 0.809 41.833 40.800 0.373 0.000 1.161 290 D HN 0.537 nan 8.370 nan 0.000 0.478 291 T N 0.622 115.350 114.554 0.288 0.000 2.821 291 T HA 0.482 4.832 4.350 -0.000 0.000 0.306 291 T C -2.475 172.373 174.700 0.248 0.000 1.313 291 T CA -1.096 61.078 62.100 0.124 0.000 1.012 291 T CB 2.355 71.328 68.868 0.176 0.000 1.298 291 T HN 0.095 nan 8.240 nan 0.000 0.502 292 P HA 0.221 nan 4.420 nan 0.000 0.245 292 P C 0.902 178.069 177.300 -0.222 0.000 1.203 292 P CA 0.256 63.194 63.100 -0.269 0.000 0.792 292 P CB -0.102 31.234 31.700 -0.607 0.000 0.997 293 G N -0.709 108.020 108.800 -0.118 0.000 2.557 293 G HA2 0.161 4.121 3.960 -0.000 0.000 0.292 293 G HA3 0.161 4.121 3.960 -0.000 0.000 0.292 293 G C -0.107 174.778 174.900 -0.025 0.000 1.237 293 G CA -0.232 44.769 45.100 -0.164 0.000 0.978 293 G HN 0.251 nan 8.290 nan 0.000 0.498 294 H N -1.462 117.556 119.070 -0.088 0.000 2.791 294 H HA -0.182 4.374 4.556 -0.000 0.000 0.302 294 H C 1.208 176.555 175.328 0.033 0.000 1.198 294 H CA 1.360 57.408 56.048 -0.001 0.000 1.145 294 H CB -1.820 27.991 29.762 0.082 0.000 1.385 294 H HN 0.667 nan 8.280 nan 0.000 0.409 295 T N -3.080 111.452 114.554 -0.036 0.000 3.182 295 T HA 0.329 4.679 4.350 -0.000 0.000 0.277 295 T C 1.929 176.654 174.700 0.043 0.000 1.013 295 T CA -0.199 61.810 62.100 -0.151 0.000 0.900 295 T CB 0.340 68.816 68.868 -0.654 0.000 1.098 295 T HN 0.179 nan 8.240 nan 0.000 0.543 296 L N 2.001 123.259 121.223 0.058 0.000 2.013 296 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 296 L C 3.015 179.931 176.870 0.078 0.000 1.073 296 L CA 1.991 56.851 54.840 0.033 0.000 0.753 296 L CB -0.578 41.488 42.059 0.012 0.000 0.890 296 L HN 0.546 nan 8.230 nan 0.000 0.432 297 S N -1.679 114.135 115.700 0.189 0.000 2.447 297 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 297 S C 1.458 176.150 174.600 0.155 0.000 1.006 297 S CA 0.500 58.792 58.200 0.153 0.000 0.957 297 S CB -0.660 62.644 63.200 0.173 0.000 0.773 297 S HN 0.455 nan 8.310 nan 0.000 0.507 298 W N 2.284 123.550 121.300 -0.057 0.000 2.425 298 W HA 0.314 4.974 4.660 -0.000 0.000 0.277 298 W C 2.576 178.891 176.519 -0.340 0.000 1.231 298 W CA 0.145 57.341 57.345 -0.247 0.000 1.248 298 W CB -1.068 28.293 29.460 -0.165 0.000 1.117 298 W HN 0.441 nan 8.180 nan 0.000 0.568 299 G N 0.338 109.103 108.800 -0.059 0.000 2.484 299 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 299 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 299 G C 1.508 176.250 174.900 -0.263 0.000 1.130 299 G CA 0.530 45.486 45.100 -0.241 0.000 0.784 299 G HN 0.225 nan 8.290 nan 0.000 0.543 300 K N 0.009 120.292 120.400 -0.196 0.000 2.147 300 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 300 K C 2.359 178.858 176.600 -0.167 0.000 1.049 300 K CA 1.061 57.245 56.287 -0.172 0.000 0.936 300 K CB -0.021 32.406 32.500 -0.122 0.000 0.722 300 K HN 0.297 nan 8.250 nan 0.000 0.446 301 G N 0.040 108.721 108.800 -0.199 0.000 2.944 301 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 301 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 301 G C 0.025 174.811 174.900 -0.190 0.000 1.100 301 G CA -0.108 44.888 45.100 -0.174 0.000 0.780 301 G HN 0.070 nan 8.290 nan 0.000 0.539 302 Q N 1.536 121.168 119.800 -0.279 0.000 2.363 302 Q HA 0.418 4.758 4.340 -0.000 0.000 0.265 302 Q C -0.540 175.263 176.000 -0.329 0.000 1.032 302 Q CA -0.642 54.936 55.803 -0.375 0.000 0.746 302 Q CB 0.788 29.093 28.738 -0.721 0.000 1.237 302 Q HN -0.140 nan 8.270 nan 0.000 0.475 303 K N 2.663 122.926 120.400 -0.228 0.000 2.295 303 K HA 0.150 4.470 4.320 -0.000 0.000 0.270 303 K C -0.293 176.209 176.600 -0.162 0.000 1.011 303 K CA 0.090 56.272 56.287 -0.175 0.000 0.953 303 K CB 0.488 32.928 32.500 -0.100 0.000 0.956 303 K HN 0.772 nan 8.250 nan 0.000 0.477 304 D N 0.481 120.815 120.400 -0.109 0.000 2.983 304 D HA -0.213 4.427 4.640 -0.000 0.000 0.225 304 D C 0.817 177.054 176.300 -0.105 0.000 1.174 304 D CA 0.669 54.638 54.000 -0.053 0.000 0.831 304 D CB -0.838 39.947 40.800 -0.024 0.000 1.104 304 D HN 0.391 nan 8.370 nan 0.000 0.421 305 L N -0.229 120.876 121.223 -0.197 0.000 2.130 305 L HA 0.151 4.491 4.340 -0.000 0.000 0.200 305 L C 0.897 177.679 176.870 -0.147 0.000 1.075 305 L CA 1.020 55.707 54.840 -0.255 0.000 0.768 305 L CB 0.053 41.840 42.059 -0.452 0.000 0.933 305 L HN 0.091 nan 8.230 nan 0.000 0.451 306 L N 0.347 121.498 121.223 -0.120 0.000 2.436 306 L HA 0.222 4.562 4.340 -0.000 0.000 0.265 306 L C 0.178 177.158 176.870 0.182 0.000 1.168 306 L CA -0.481 54.359 54.840 0.000 0.000 0.815 306 L CB 0.293 42.331 42.059 -0.035 0.000 1.109 306 L HN -0.003 nan 8.230 nan 0.000 0.462 307 T N 3.168 117.841 114.554 0.199 0.000 2.761 307 T HA 0.207 4.557 4.350 -0.000 0.000 0.296 307 T C -2.275 172.471 174.700 0.077 0.000 0.934 307 T CA -0.900 61.317 62.100 0.195 0.000 1.091 307 T CB 0.550 69.602 68.868 0.308 0.000 0.896 307 T HN 0.395 nan 8.240 nan 0.000 0.515 308 P HA 0.247 nan 4.420 nan 0.000 0.276 308 P C -0.548 176.371 177.300 -0.635 0.000 1.235 308 P CA -0.466 62.237 63.100 -0.662 0.000 0.772 308 P CB 0.304 31.672 31.700 -0.553 0.000 0.871 309 c N 4.153 122.338 118.600 -0.692 0.000 2.405 309 c HA 0.560 5.130 4.570 -0.000 0.000 0.365 309 c C 0.296 174.010 174.090 -0.626 0.000 1.233 309 c CA -0.234 55.826 56.329 -0.449 0.000 2.230 309 c CB -0.579 41.766 42.510 -0.275 0.000 2.443 309 c HN 0.530 nan 8.230 nan 0.000 0.556 310 Y N 0.249 120.492 120.300 -0.095 0.000 2.633 310 Y HA 0.772 5.322 4.550 -0.000 0.000 0.339 310 Y C 0.548 176.416 175.900 -0.054 0.000 1.045 310 Y CA -0.242 57.813 58.100 -0.075 0.000 1.098 310 Y CB 1.858 40.289 38.460 -0.049 0.000 1.296 310 Y HN 0.836 nan 8.280 nan 0.000 0.494 316 L N 2.310 123.480 121.223 -0.087 0.000 5.509 316 L HA -0.037 4.303 4.340 -0.000 0.000 0.233 316 L C -1.562 175.167 176.870 -0.236 0.000 1.117 316 L CA -0.336 54.399 54.840 -0.175 0.000 0.760 316 L CB 1.125 43.030 42.059 -0.257 0.000 1.443 316 L HN 0.743 nan 8.230 nan 0.000 0.226 317 D N 1.425 121.733 120.400 -0.154 0.000 2.615 317 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 317 D C 0.250 176.499 176.300 -0.084 0.000 1.233 317 D CA 0.380 54.328 54.000 -0.086 0.000 0.829 317 D CB 1.041 41.835 40.800 -0.010 0.000 1.024 317 D HN 0.276 nan 8.370 nan 0.000 0.490 318 S N -0.163 115.365 115.700 -0.287 0.000 2.568 318 S HA 0.743 5.213 4.470 -0.000 0.000 0.302 318 S C -1.163 173.085 174.600 -0.588 0.000 1.082 318 S CA -0.548 57.501 58.200 -0.251 0.000 1.009 318 S CB 0.798 63.880 63.200 -0.196 0.000 1.069 318 S HN -0.042 nan 8.310 nan 0.000 0.500 319 F N 0.917 120.791 119.950 -0.127 0.000 2.588 319 F HA 0.721 5.248 4.527 -0.000 0.000 0.314 319 F C 0.879 176.595 175.800 -0.141 0.000 1.069 319 F CA -0.463 57.459 58.000 -0.132 0.000 0.931 319 F CB 2.106 41.038 39.000 -0.113 0.000 1.260 319 F HN 0.769 nan 8.300 nan 0.000 0.465 320 G N 0.393 109.211 108.800 0.030 0.000 3.119 320 G HA2 0.679 4.638 3.960 -0.000 0.000 0.206 320 G HA3 0.679 4.638 3.960 -0.000 0.000 0.206 320 G C -2.828 172.002 174.900 -0.118 0.000 1.313 320 G CA -1.586 43.453 45.100 -0.102 0.000 1.010 320 G HN 0.337 nan 8.290 nan 0.000 0.578 321 P HA 0.147 nan 4.420 nan 0.000 0.274 321 P C 0.107 177.370 177.300 -0.060 0.000 1.264 321 P CA -0.227 62.722 63.100 -0.252 0.000 0.795 321 P CB 0.895 32.303 31.700 -0.488 0.000 1.064 322 I N 0.999 121.491 120.570 -0.129 0.000 2.775 322 I HA -0.085 4.085 4.170 -0.000 0.000 0.290 322 I C 1.443 177.604 176.117 0.073 0.000 1.203 322 I CA 0.347 61.578 61.300 -0.115 0.000 1.433 322 I CB -0.321 37.516 38.000 -0.273 0.000 1.354 322 I HN 0.316 nan 8.210 nan 0.000 0.579 323 N N 9.687 128.412 118.700 0.043 0.000 2.400 323 N HA 0.073 4.813 4.740 -0.000 0.000 0.267 323 N C -1.637 173.822 175.510 -0.086 0.000 1.208 323 N CA -1.567 51.498 53.050 0.025 0.000 0.951 323 N CB 0.889 39.379 38.487 0.005 0.000 1.227 323 N HN 0.335 nan 8.380 nan 0.000 0.488 324 P HA 0.017 nan 4.420 nan 0.000 0.245 324 P C 0.606 177.890 177.300 -0.027 0.000 1.212 324 P CA 0.619 63.742 63.100 0.038 0.000 0.774 324 P CB 0.076 31.795 31.700 0.033 0.000 0.999 325 T N -3.775 110.571 114.554 -0.347 0.000 3.023 325 T HA 0.236 4.586 4.350 -0.000 0.000 0.253 325 T C 0.642 175.253 174.700 -0.148 0.000 1.038 325 T CA -0.163 61.505 62.100 -0.721 0.000 0.962 325 T CB -0.323 67.896 68.868 -1.081 0.000 1.018 325 T HN -0.056 nan 8.240 nan 0.000 0.521 326 L N 3.181 124.404 121.223 -0.000 0.000 2.325 326 L HA 0.452 4.792 4.340 -0.000 0.000 0.279 326 L C 1.478 178.473 176.870 0.209 0.000 1.054 326 L CA -1.077 53.814 54.840 0.085 0.000 0.804 326 L CB 1.161 43.235 42.059 0.025 0.000 1.200 326 L HN 0.120 nan 8.230 nan 0.000 0.436 327 N N 0.450 119.282 118.700 0.221 0.000 2.244 327 N HA -0.183 4.556 4.740 -0.000 0.000 0.183 327 N C 1.354 176.997 175.510 0.223 0.000 1.016 327 N CA 1.743 54.955 53.050 0.269 0.000 0.866 327 N CB -0.848 37.755 38.487 0.195 0.000 0.980 327 N HN 0.777 nan 8.380 nan 0.000 0.430 328 T N -3.004 111.635 114.554 0.141 0.000 2.833 328 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 328 T C 1.869 176.631 174.700 0.104 0.000 1.054 328 T CA 1.754 63.923 62.100 0.116 0.000 1.135 328 T CB -1.068 67.836 68.868 0.061 0.000 0.869 328 T HN 0.164 nan 8.240 nan 0.000 0.466 329 T N 1.106 115.668 114.554 0.013 0.000 2.708 329 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 329 T C 1.523 176.198 174.700 -0.043 0.000 1.037 329 T CA 1.539 63.581 62.100 -0.096 0.000 1.146 329 T CB -0.545 68.130 68.868 -0.321 0.000 0.865 329 T HN 0.540 nan 8.240 nan 0.000 0.435 330 Y N 1.777 122.198 120.300 0.201 0.000 2.314 330 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 330 Y C 2.978 178.979 175.900 0.170 0.000 1.129 330 Y CA 0.914 59.113 58.100 0.165 0.000 1.201 330 Y CB -0.692 37.832 38.460 0.107 0.000 0.999 330 Y HN 0.281 nan 8.280 nan 0.000 0.541 331 S N -0.367 115.512 115.700 0.298 0.000 2.387 331 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 331 S C 1.945 176.703 174.600 0.265 0.000 1.026 331 S CA 0.921 59.270 58.200 0.248 0.000 0.972 331 S CB -1.287 62.045 63.200 0.220 0.000 0.814 331 S HN 0.477 nan 8.310 nan 0.000 0.477 332 F N 2.599 122.618 119.950 0.116 0.000 2.102 332 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 332 F C 1.892 177.748 175.800 0.094 0.000 1.105 332 F CA 1.224 59.254 58.000 0.050 0.000 1.239 332 F CB -0.339 38.569 39.000 -0.154 0.000 0.991 332 F HN 0.117 nan 8.300 nan 0.000 0.474 333 L N -0.239 120.995 121.223 0.017 0.000 2.141 333 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 333 L C 2.343 179.313 176.870 0.167 0.000 1.094 333 L CA 1.508 56.359 54.840 0.018 0.000 0.763 333 L CB -1.068 41.163 42.059 0.286 0.000 0.908 333 L HN 0.192 nan 8.230 nan 0.000 0.437 334 T N -1.130 113.535 114.554 0.185 0.000 2.737 334 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 334 T C 1.919 176.702 174.700 0.138 0.000 1.038 334 T CA 1.943 64.154 62.100 0.184 0.000 1.144 334 T CB -0.173 68.792 68.868 0.163 0.000 0.866 334 T HN 0.336 nan 8.240 nan 0.000 0.434 335 T N 1.671 116.301 114.554 0.127 0.000 2.777 335 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 335 T C 1.558 176.317 174.700 0.099 0.000 1.040 335 T CA 0.843 63.021 62.100 0.129 0.000 1.141 335 T CB -0.475 68.536 68.868 0.239 0.000 0.868 335 T HN 0.330 nan 8.240 nan 0.000 0.444 336 F N 1.236 121.107 119.950 -0.131 0.000 2.075 336 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 336 F C 1.694 177.289 175.800 -0.341 0.000 1.113 336 F CA 1.180 58.991 58.000 -0.316 0.000 1.218 336 F CB -0.457 38.023 39.000 -0.867 0.000 0.984 336 F HN 0.068 nan 8.300 nan 0.000 0.472 337 F N 0.698 120.608 119.950 -0.067 0.000 2.293 337 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 337 F C 2.294 178.001 175.800 -0.154 0.000 1.086 337 F CA 1.335 59.249 58.000 -0.144 0.000 1.375 337 F CB -0.898 38.113 39.000 0.019 0.000 1.045 337 F HN -0.055 nan 8.300 nan 0.000 0.516 338 K N 1.024 121.454 120.400 0.050 0.000 2.026 338 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 338 K C 2.064 178.626 176.600 -0.064 0.000 1.048 338 K CA 1.801 58.092 56.287 0.008 0.000 0.929 338 K CB -0.460 32.046 32.500 0.010 0.000 0.713 338 K HN 0.324 nan 8.250 nan 0.000 0.439 339 E N -0.010 120.101 120.200 -0.147 0.000 2.058 339 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 339 E C 1.819 178.306 176.600 -0.189 0.000 0.997 339 E CA 1.460 57.750 56.400 -0.183 0.000 0.801 339 E CB -0.049 29.504 29.700 -0.245 0.000 0.746 339 E HN 0.263 nan 8.360 nan 0.000 0.450 340 I N 1.799 122.184 120.570 -0.309 0.000 2.208 340 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 340 I C 2.744 178.900 176.117 0.065 0.000 1.097 340 I CA 1.647 62.859 61.300 -0.147 0.000 1.363 340 I CB -1.653 36.198 38.000 -0.248 0.000 1.051 340 I HN 0.229 nan 8.210 nan 0.000 0.413 341 S N 0.315 116.033 115.700 0.030 0.000 2.442 341 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 341 S C 1.658 176.256 174.600 -0.004 0.000 1.007 341 S CA 1.075 59.292 58.200 0.028 0.000 0.965 341 S CB -0.450 62.755 63.200 0.008 0.000 0.773 341 S HN 0.572 nan 8.310 nan 0.000 0.504 342 E N 0.361 120.543 120.200 -0.030 0.000 2.250 342 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 342 E C 1.899 178.448 176.600 -0.085 0.000 0.986 342 E CA 0.586 56.955 56.400 -0.052 0.000 0.849 342 E CB 0.029 29.696 29.700 -0.055 0.000 0.797 342 E HN 0.387 nan 8.360 nan 0.000 0.482 343 V N 0.584 120.433 119.914 -0.108 0.000 2.446 343 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 343 V C 0.453 176.296 176.094 -0.417 0.000 1.039 343 V CA 1.042 63.186 62.300 -0.259 0.000 1.045 343 V CB -0.088 31.543 31.823 -0.320 0.000 0.681 343 V HN 0.075 nan 8.190 nan 0.000 0.459 344 F N 1.604 121.515 119.950 -0.065 0.000 2.385 344 F HA 0.394 4.920 4.527 -0.000 0.000 0.360 344 F C -1.170 174.526 175.800 -0.173 0.000 1.122 344 F CA -2.102 55.846 58.000 -0.086 0.000 1.090 344 F CB 1.174 40.159 39.000 -0.025 0.000 1.150 344 F HN 0.001 nan 8.300 nan 0.000 0.472 345 P HA -0.099 nan 4.420 nan 0.000 0.229 345 P C 0.044 177.218 177.300 -0.211 0.000 1.160 345 P CA 0.497 63.360 63.100 -0.395 0.000 0.777 345 P CB 0.126 31.100 31.700 -1.210 0.000 0.814 346 D N 0.430 120.788 120.400 -0.070 0.000 2.472 346 D HA -0.097 4.543 4.640 -0.000 0.000 0.237 346 D C 1.567 177.857 176.300 -0.017 0.000 1.141 346 D CA 0.175 54.182 54.000 0.012 0.000 0.875 346 D CB 0.634 41.486 40.800 0.087 0.000 1.192 346 D HN -0.020 nan 8.370 nan 0.000 0.450 347 Q N 2.156 121.928 119.800 -0.047 0.000 2.364 347 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 347 Q C -0.470 175.255 176.000 -0.458 0.000 0.977 347 Q CA 0.932 56.582 55.803 -0.254 0.000 0.885 347 Q CB 0.090 28.625 28.738 -0.339 0.000 0.941 347 Q HN 0.460 nan 8.270 nan 0.000 0.464 348 F N 0.024 119.951 119.950 -0.038 0.000 2.522 348 F HA 0.537 5.064 4.527 -0.000 0.000 0.324 348 F C -0.279 175.471 175.800 -0.084 0.000 1.077 348 F CA -1.056 56.904 58.000 -0.067 0.000 0.944 348 F CB 1.530 40.484 39.000 -0.076 0.000 1.175 348 F HN -0.154 nan 8.300 nan 0.000 0.468 349 I N 2.078 122.705 120.570 0.095 0.000 2.465 349 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 349 I C -0.826 175.288 176.117 -0.005 0.000 1.014 349 I CA -0.763 60.549 61.300 0.020 0.000 1.093 349 I CB 1.708 39.697 38.000 -0.018 0.000 1.267 349 I HN 0.517 nan 8.210 nan 0.000 0.431 350 H N 7.099 126.089 119.070 -0.133 0.000 2.652 350 H HA 0.306 4.862 4.556 -0.000 0.000 0.298 350 H C 0.347 175.632 175.328 -0.073 0.000 1.076 350 H CA -0.025 55.895 56.048 -0.213 0.000 1.360 350 H CB 1.379 30.887 29.762 -0.423 0.000 1.421 350 H HN 0.598 nan 8.280 nan 0.000 0.464 351 L N 4.243 125.511 121.223 0.076 0.000 2.554 351 L HA 0.069 4.409 4.340 -0.000 0.000 0.226 351 L C 1.804 178.882 176.870 0.346 0.000 1.137 351 L CA 0.617 55.562 54.840 0.174 0.000 0.863 351 L CB -0.249 41.826 42.059 0.027 0.000 0.985 351 L HN 0.934 nan 8.230 nan 0.000 0.451 352 G N 0.675 109.760 108.800 0.476 0.000 2.557 352 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.292 352 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.292 352 G C 0.815 176.082 174.900 0.612 0.000 1.162 352 G CA 0.043 45.489 45.100 0.576 0.000 0.964 352 G HN 0.812 nan 8.290 nan 0.000 0.541 353 G N -0.330 108.803 108.800 0.556 0.000 2.141 353 G HA2 0.071 4.031 3.960 -0.000 0.000 0.231 353 G HA3 0.071 4.031 3.960 -0.000 0.000 0.231 353 G C 0.127 175.283 174.900 0.427 0.000 0.984 353 G CA 1.289 46.656 45.100 0.445 0.000 0.660 353 G HN 2.068 nan 8.290 nan 0.000 0.525 354 D N 0.308 120.968 120.400 0.433 0.000 2.312 354 D HA 0.394 5.034 4.640 -0.000 0.000 0.248 354 D C 0.664 177.046 176.300 0.137 0.000 1.086 354 D CA -0.090 54.043 54.000 0.221 0.000 0.948 354 D CB 0.348 40.978 40.800 -0.283 0.000 1.162 354 D HN 0.485 nan 8.370 nan 0.000 0.446 355 E N -0.988 119.267 120.200 0.091 0.000 2.238 355 E HA -0.159 4.191 4.350 -0.000 0.000 0.219 355 E C -0.469 176.010 176.600 -0.201 0.000 1.275 355 E CA 0.045 56.420 56.400 -0.042 0.000 0.714 355 E CB -1.330 28.350 29.700 -0.034 0.000 1.154 355 E HN 0.264 nan 8.360 nan 0.000 0.363 356 V N 1.395 121.163 119.914 -0.242 0.000 2.479 356 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 356 V C 0.792 176.459 176.094 -0.713 0.000 1.031 356 V CA 0.498 62.541 62.300 -0.429 0.000 1.038 356 V CB 0.929 32.546 31.823 -0.343 0.000 0.981 356 V HN 0.217 nan 8.190 nan 0.000 0.478 357 E N 3.470 123.293 120.200 -0.628 0.000 2.229 357 E HA 0.318 4.668 4.350 -0.000 0.000 0.283 357 E C 0.212 176.463 176.600 -0.583 0.000 1.030 357 E CA -0.034 56.022 56.400 -0.573 0.000 0.836 357 E CB 0.761 30.224 29.700 -0.395 0.000 1.068 357 E HN 0.603 nan 8.360 nan 0.000 0.401 358 F N 2.131 121.872 119.950 -0.347 0.000 2.569 358 F HA 0.012 4.539 4.527 -0.000 0.000 0.295 358 F C 1.841 177.406 175.800 -0.391 0.000 1.115 358 F CA -0.128 57.657 58.000 -0.358 0.000 1.450 358 F CB 0.178 39.065 39.000 -0.189 0.000 1.107 358 F HN 0.356 nan 8.300 nan 0.000 0.563 359 K N 0.003 120.324 120.400 -0.131 0.000 2.074 359 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 359 K C 2.169 178.695 176.600 -0.123 0.000 1.048 359 K CA 1.719 57.924 56.287 -0.138 0.000 0.926 359 K CB -0.766 31.668 32.500 -0.110 0.000 0.713 359 K HN 0.354 nan 8.250 nan 0.000 0.444 360 c N 0.262 118.776 118.600 -0.144 0.000 2.429 360 c HA -0.124 4.446 4.570 -0.000 0.000 0.277 360 c C 2.362 176.500 174.090 0.079 0.000 1.262 360 c CA 0.380 56.659 56.329 -0.083 0.000 1.733 360 c CB -1.099 41.321 42.510 -0.151 0.000 2.010 360 c HN 0.571 nan 8.230 nan 0.000 0.483 361 W N 0.916 122.166 121.300 -0.085 0.000 2.355 361 W HA -0.052 4.607 4.660 -0.000 0.000 0.309 361 W C 2.528 179.005 176.519 -0.070 0.000 1.206 361 W CA 1.535 58.867 57.345 -0.022 0.000 1.284 361 W CB -1.517 27.974 29.460 0.052 0.000 1.145 361 W HN 0.521 nan 8.180 nan 0.000 0.502 362 E N 0.405 120.489 120.200 -0.193 0.000 2.160 362 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 362 E C 2.121 178.759 176.600 0.064 0.000 0.991 362 E CA 2.021 58.292 56.400 -0.214 0.000 0.810 362 E CB -0.201 29.242 29.700 -0.429 0.000 0.742 362 E HN 0.118 nan 8.360 nan 0.000 0.466 363 S N -0.134 115.605 115.700 0.064 0.000 2.562 363 S HA -0.029 4.441 4.470 -0.000 0.000 0.221 363 S C 0.725 175.448 174.600 0.205 0.000 0.975 363 S CA -0.281 57.985 58.200 0.110 0.000 0.918 363 S CB -0.093 63.154 63.200 0.078 0.000 0.772 363 S HN 0.151 nan 8.310 nan 0.000 0.531 364 N N 2.283 121.125 118.700 0.237 0.000 2.419 364 N HA 0.274 5.014 4.740 -0.000 0.000 0.264 364 N C -2.208 173.394 175.510 0.153 0.000 1.031 364 N CA -1.758 51.463 53.050 0.285 0.000 0.951 364 N CB 1.742 40.404 38.487 0.291 0.000 1.101 364 N HN 0.005 nan 8.380 nan 0.000 0.488 365 P HA -0.111 nan 4.420 nan 0.000 0.214 365 P C 0.963 178.284 177.300 0.036 0.000 1.163 365 P CA 1.619 64.713 63.100 -0.009 0.000 0.883 365 P CB 0.363 31.987 31.700 -0.125 0.000 0.788 366 K N -0.654 119.769 120.400 0.039 0.000 2.113 366 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 366 K C 2.105 178.764 176.600 0.098 0.000 1.047 366 K CA 1.317 57.642 56.287 0.063 0.000 0.928 366 K CB -0.687 31.852 32.500 0.065 0.000 0.716 366 K HN 0.194 nan 8.250 nan 0.000 0.446 367 I N 1.034 121.668 120.570 0.107 0.000 2.315 367 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 367 I C 2.514 178.731 176.117 0.167 0.000 1.117 367 I CA 0.907 62.273 61.300 0.110 0.000 1.404 367 I CB -0.182 37.883 38.000 0.109 0.000 1.071 367 I HN 0.206 nan 8.210 nan 0.000 0.419 368 Q N 0.663 120.561 119.800 0.162 0.000 2.096 368 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 368 Q C 1.759 177.799 176.000 0.067 0.000 0.982 368 Q CA 1.570 57.456 55.803 0.137 0.000 0.850 368 Q CB -0.406 28.405 28.738 0.121 0.000 0.901 368 Q HN 0.519 nan 8.270 nan 0.000 0.422 369 D N 0.003 120.440 120.400 0.061 0.000 2.087 369 D HA -0.157 4.483 4.640 -0.000 0.000 0.192 369 D C 1.709 178.007 176.300 -0.004 0.000 0.993 369 D CA 0.764 54.775 54.000 0.019 0.000 0.828 369 D CB -0.623 40.195 40.800 0.029 0.000 0.968 369 D HN 0.170 nan 8.370 nan 0.000 0.448 370 F N 1.139 121.027 119.950 -0.102 0.000 2.115 370 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 370 F C 2.354 177.995 175.800 -0.264 0.000 1.092 370 F CA 1.414 59.313 58.000 -0.168 0.000 1.245 370 F CB -0.088 38.831 39.000 -0.136 0.000 0.995 370 F HN -0.147 nan 8.300 nan 0.000 0.481 371 M N -0.265 119.331 119.600 -0.007 0.000 2.149 371 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 371 M C 2.344 178.471 176.300 -0.288 0.000 1.064 371 M CA 1.640 56.854 55.300 -0.143 0.000 1.102 371 M CB -1.270 31.257 32.600 -0.121 0.000 1.369 371 M HN 0.233 nan 8.290 nan 0.000 0.408 372 R N 0.490 120.864 120.500 -0.211 0.000 2.062 372 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 372 R C 2.119 178.242 176.300 -0.296 0.000 1.136 372 R CA 1.661 57.641 56.100 -0.201 0.000 0.948 372 R CB -0.148 30.077 30.300 -0.125 0.000 0.845 372 R HN 0.449 nan 8.270 nan 0.000 0.430 373 Q N -0.055 119.535 119.800 -0.351 0.000 2.181 373 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 373 Q C 1.716 177.375 176.000 -0.568 0.000 0.980 373 Q CA 1.308 56.864 55.803 -0.412 0.000 0.862 373 Q CB 0.101 28.575 28.738 -0.440 0.000 0.905 373 Q HN 0.135 nan 8.270 nan 0.000 0.429 374 K N -0.721 119.179 120.400 -0.835 0.000 2.400 374 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 374 K C 0.829 176.884 176.600 -0.909 0.000 1.033 374 K CA 0.770 56.379 56.287 -1.130 0.000 1.021 374 K CB 0.569 31.855 32.500 -2.022 0.000 0.808 374 K HN 0.349 nan 8.250 nan 0.000 0.505 375 G N 1.683 110.143 108.800 -0.568 0.000 2.272 375 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.280 375 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.280 375 G C 0.428 175.255 174.900 -0.122 0.000 1.067 375 G CA 0.010 44.937 45.100 -0.289 0.000 0.902 375 G HN 0.411 nan 8.290 nan 0.000 0.500 376 F N 0.328 120.153 119.950 -0.208 0.000 2.776 376 F HA 0.286 4.813 4.527 -0.000 0.000 0.300 376 F C 2.251 177.919 175.800 -0.221 0.000 1.116 376 F CA 0.102 57.971 58.000 -0.219 0.000 1.375 376 F CB 0.297 39.125 39.000 -0.287 0.000 1.109 376 F HN 0.714 nan 8.300 nan 0.000 0.585 377 G N 1.608 110.398 108.800 -0.018 0.000 2.583 377 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.292 377 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.292 377 G C 0.776 175.614 174.900 -0.104 0.000 1.203 377 G CA 0.723 45.793 45.100 -0.050 0.000 0.987 377 G HN 0.321 nan 8.290 nan 0.000 0.554 378 T N -2.258 112.256 114.554 -0.067 0.000 3.134 378 T HA 0.422 4.772 4.350 -0.000 0.000 0.260 378 T C 0.280 174.947 174.700 -0.055 0.000 1.027 378 T CA 1.028 63.110 62.100 -0.030 0.000 0.913 378 T CB 0.581 69.509 68.868 0.101 0.000 1.046 378 T HN 0.574 nan 8.240 nan 0.000 0.553 379 D N 0.941 121.243 120.400 -0.164 0.000 2.468 379 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 379 D C 0.076 176.169 176.300 -0.346 0.000 1.155 379 D CA -1.293 52.616 54.000 -0.152 0.000 0.924 379 D CB -0.330 40.401 40.800 -0.114 0.000 1.029 379 D HN 0.210 nan 8.370 nan 0.000 0.515 380 F N 1.793 121.545 119.950 -0.330 0.000 2.699 380 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 380 F C 2.164 177.560 175.800 -0.673 0.000 1.154 380 F CA 0.500 58.174 58.000 -0.544 0.000 1.457 380 F CB 0.057 38.596 39.000 -0.769 0.000 1.106 380 F HN 0.279 nan 8.300 nan 0.000 0.585 381 K N 0.313 120.508 120.400 -0.341 0.000 2.148 381 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 381 K C 1.878 178.421 176.600 -0.095 0.000 1.050 381 K CA 0.935 57.191 56.287 -0.051 0.000 0.942 381 K CB -0.066 32.473 32.500 0.064 0.000 0.724 381 K HN 0.246 nan 8.250 nan 0.000 0.446 382 K N 0.779 120.992 120.400 -0.313 0.000 2.148 382 K HA -0.043 4.276 4.320 -0.000 0.000 0.204 382 K C 1.991 178.196 176.600 -0.659 0.000 1.050 382 K CA 0.628 56.570 56.287 -0.575 0.000 0.942 382 K CB 0.020 31.935 32.500 -0.974 0.000 0.724 382 K HN 0.141 nan 8.250 nan 0.000 0.446 383 L N 1.192 122.129 121.223 -0.476 0.000 2.217 383 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 383 L C 2.352 179.296 176.870 0.124 0.000 1.107 383 L CA 1.343 56.079 54.840 -0.172 0.000 0.783 383 L CB -0.125 41.812 42.059 -0.203 0.000 0.919 383 L HN 0.301 nan 8.230 nan 0.000 0.442 384 E N -0.717 119.646 120.200 0.271 0.000 2.076 384 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 384 E C 2.075 178.916 176.600 0.402 0.000 0.979 384 E CA 1.151 57.872 56.400 0.535 0.000 0.807 384 E CB 0.223 30.327 29.700 0.672 0.000 0.761 384 E HN 0.349 nan 8.360 nan 0.000 0.454 385 S N 0.469 116.312 115.700 0.238 0.000 2.382 385 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 385 S C 1.488 176.206 174.600 0.198 0.000 1.027 385 S CA 1.074 59.378 58.200 0.173 0.000 0.991 385 S CB -0.444 62.798 63.200 0.070 0.000 0.823 385 S HN 0.371 nan 8.310 nan 0.000 0.469 386 F N 1.452 121.451 119.950 0.081 0.000 2.069 386 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 386 F C 2.110 178.038 175.800 0.213 0.000 1.113 386 F CA 1.600 59.689 58.000 0.149 0.000 1.214 386 F CB -0.806 38.337 39.000 0.237 0.000 0.978 386 F HN 0.265 nan 8.300 nan 0.000 0.474 387 Y N 0.289 120.722 120.300 0.221 0.000 2.070 387 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 387 Y C 2.310 178.301 175.900 0.152 0.000 1.148 387 Y CA 2.132 60.369 58.100 0.228 0.000 1.125 387 Y CB -0.865 37.792 38.460 0.328 0.000 0.975 387 Y HN 0.143 nan 8.280 nan 0.000 0.492 388 I N 0.851 121.551 120.570 0.217 0.000 2.454 388 I HA -0.298 3.872 4.170 -0.000 0.000 0.254 388 I C 2.183 178.261 176.117 -0.065 0.000 1.156 388 I CA 1.582 62.925 61.300 0.072 0.000 1.433 388 I CB -0.518 37.619 38.000 0.228 0.000 1.082 388 I HN 0.410 nan 8.210 nan 0.000 0.432 389 Q N -0.276 119.481 119.800 -0.072 0.000 2.123 389 Q HA -0.188 4.152 4.340 -0.000 0.000 0.199 389 Q C 2.173 178.057 176.000 -0.193 0.000 0.966 389 Q CA 1.397 57.135 55.803 -0.108 0.000 0.845 389 Q CB -0.050 28.638 28.738 -0.084 0.000 0.907 389 Q HN 0.460 nan 8.270 nan 0.000 0.439 390 K N -0.250 119.962 120.400 -0.314 0.000 2.062 390 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 390 K C 2.035 178.517 176.600 -0.197 0.000 1.051 390 K CA 1.139 57.221 56.287 -0.342 0.000 0.941 390 K CB 0.057 32.188 32.500 -0.615 0.000 0.719 390 K HN 0.013 nan 8.250 nan 0.000 0.440 391 V N 1.578 121.358 119.914 -0.223 0.000 2.343 391 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 391 V C 2.150 178.142 176.094 -0.169 0.000 1.051 391 V CA 1.275 63.468 62.300 -0.177 0.000 1.036 391 V CB -0.378 31.288 31.823 -0.262 0.000 0.654 391 V HN 0.236 nan 8.190 nan 0.000 0.451 392 L N 0.199 121.331 121.223 -0.151 0.000 2.079 392 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 392 L C 2.165 178.973 176.870 -0.103 0.000 1.081 392 L CA 1.890 56.657 54.840 -0.122 0.000 0.752 392 L CB -1.349 40.660 42.059 -0.084 0.000 0.896 392 L HN 0.377 nan 8.230 nan 0.000 0.433 393 D N -0.855 119.486 120.400 -0.099 0.000 2.144 393 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 393 D C 2.406 178.669 176.300 -0.061 0.000 0.978 393 D CA 0.937 54.892 54.000 -0.076 0.000 0.833 393 D CB 0.091 40.840 40.800 -0.086 0.000 0.961 393 D HN 0.308 nan 8.370 nan 0.000 0.470 394 I N 0.962 121.497 120.570 -0.058 0.000 2.179 394 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 394 I C 2.131 178.221 176.117 -0.045 0.000 1.088 394 I CA 0.573 61.862 61.300 -0.017 0.000 1.357 394 I CB -0.120 37.908 38.000 0.046 0.000 1.051 394 I HN -0.017 nan 8.210 nan 0.000 0.409 395 I N 1.254 121.755 120.570 -0.115 0.000 2.208 395 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 395 I C 2.863 178.925 176.117 -0.091 0.000 1.097 395 I CA 1.704 62.921 61.300 -0.140 0.000 1.363 395 I CB -1.763 36.113 38.000 -0.207 0.000 1.051 395 I HN 0.179 nan 8.210 nan 0.000 0.413 396 A N 0.699 123.474 122.820 -0.076 0.000 2.024 396 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 396 A C 2.279 179.837 177.584 -0.044 0.000 1.164 396 A CA 2.263 54.265 52.037 -0.057 0.000 0.643 396 A CB -1.092 17.882 19.000 -0.042 0.000 0.806 396 A HN 0.577 nan 8.150 nan 0.000 0.451 397 T N -1.901 112.632 114.554 -0.034 0.000 3.148 397 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 397 T C 0.968 175.657 174.700 -0.018 0.000 1.134 397 T CA 0.770 62.858 62.100 -0.020 0.000 1.051 397 T CB -0.555 68.309 68.868 -0.007 0.000 0.959 397 T HN 0.780 nan 8.240 nan 0.000 0.525 398 I N -1.910 118.644 120.570 -0.027 0.000 3.654 398 I HA 0.509 4.679 4.170 -0.000 0.000 0.337 398 I C 0.186 176.278 176.117 -0.042 0.000 1.568 398 I CA -0.761 60.525 61.300 -0.023 0.000 1.115 398 I CB -0.643 37.353 38.000 -0.006 0.000 1.300 398 I HN 0.041 nan 8.210 nan 0.000 0.471 399 N N 2.385 121.053 118.700 -0.054 0.000 2.735 399 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 399 N C -0.893 174.548 175.510 -0.115 0.000 1.083 399 N CA 1.038 54.044 53.050 -0.073 0.000 0.703 399 N CB -0.358 38.096 38.487 -0.054 0.000 1.005 399 N HN 0.511 nan 8.380 nan 0.000 0.550 400 K N -0.667 119.652 120.400 -0.134 0.000 2.443 400 K HA 0.740 5.060 4.320 -0.000 0.000 0.251 400 K C 0.588 177.043 176.600 -0.242 0.000 0.972 400 K CA -0.218 55.949 56.287 -0.200 0.000 0.833 400 K CB 1.436 33.854 32.500 -0.137 0.000 1.317 400 K HN 0.142 nan 8.250 nan 0.000 0.441 401 G N 0.080 108.629 108.800 -0.418 0.000 2.488 401 G HA2 0.514 4.473 3.960 -0.000 0.000 0.318 401 G HA3 0.514 4.473 3.960 -0.000 0.000 0.318 401 G C -0.813 174.108 174.900 0.035 0.000 1.188 401 G CA -0.302 44.615 45.100 -0.305 0.000 0.944 401 G HN 0.347 nan 8.290 nan 0.000 0.495 402 S N -0.871 114.922 115.700 0.155 0.000 2.532 402 S HA 0.661 5.131 4.470 -0.000 0.000 0.301 402 S C -0.561 174.025 174.600 -0.023 0.000 1.083 402 S CA -0.365 57.863 58.200 0.047 0.000 1.025 402 S CB 1.419 64.580 63.200 -0.065 0.000 1.056 402 S HN 0.443 nan 8.310 nan 0.000 0.494 403 I N 2.354 122.786 120.570 -0.231 0.000 2.545 403 I HA 0.620 4.790 4.170 -0.000 0.000 0.292 403 I C -0.877 174.803 176.117 -0.730 0.000 1.040 403 I CA -1.043 59.942 61.300 -0.525 0.000 1.068 403 I CB 2.011 39.582 38.000 -0.716 0.000 1.251 403 I HN 0.457 nan 8.210 nan 0.000 0.424 404 V N 0.875 120.421 119.914 -0.612 0.000 2.925 404 V HA 0.548 4.668 4.120 -0.000 0.000 0.311 404 V C -1.110 174.884 176.094 -0.166 0.000 1.104 404 V CA -0.949 61.124 62.300 -0.377 0.000 0.954 404 V CB 1.575 33.341 31.823 -0.095 0.000 1.022 404 V HN 0.763 nan 8.190 nan 0.000 0.427 405 W N 2.261 123.701 121.300 0.233 0.000 2.158 405 W HA 0.288 4.948 4.660 -0.000 0.000 0.339 405 W C 2.152 178.859 176.519 0.313 0.000 1.294 405 W CA 0.486 58.056 57.345 0.374 0.000 1.231 405 W CB 0.795 30.500 29.460 0.408 0.000 1.143 405 W HN 0.933 nan 8.180 nan 0.000 0.571 406 Q N 0.416 120.587 119.800 0.619 0.000 2.242 406 Q HA -0.327 4.013 4.340 -0.000 0.000 0.211 406 Q C 1.231 177.434 176.000 0.337 0.000 0.992 406 Q CA 2.236 58.253 55.803 0.357 0.000 0.889 406 Q CB -0.329 28.533 28.738 0.207 0.000 0.913 406 Q HN 0.616 nan 8.270 nan 0.000 0.422 407 E N 0.870 121.294 120.200 0.372 0.000 2.114 407 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 407 E C 2.069 178.820 176.600 0.253 0.000 1.008 407 E CA 1.797 58.363 56.400 0.277 0.000 0.810 407 E CB -0.259 29.612 29.700 0.285 0.000 0.739 407 E HN 0.264 nan 8.360 nan 0.000 0.456 408 V N 0.475 120.557 119.914 0.279 0.000 2.332 408 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 408 V C 1.929 178.130 176.094 0.178 0.000 1.055 408 V CA 1.978 64.409 62.300 0.218 0.000 1.038 408 V CB -0.492 31.442 31.823 0.185 0.000 0.651 408 V HN 0.272 nan 8.190 nan 0.000 0.450 409 F N 1.464 121.432 119.950 0.031 0.000 2.128 409 F HA -0.108 4.418 4.527 -0.000 0.000 0.295 409 F C 2.213 178.039 175.800 0.043 0.000 1.100 409 F CA 1.842 59.834 58.000 -0.014 0.000 1.260 409 F CB -0.425 38.550 39.000 -0.042 0.000 1.009 409 F HN 0.198 nan 8.300 nan 0.000 0.476 410 D N 0.252 120.716 120.400 0.107 0.000 2.149 410 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 410 D C 1.293 177.566 176.300 -0.045 0.000 0.990 410 D CA 1.518 55.514 54.000 -0.007 0.000 0.839 410 D CB -0.594 40.265 40.800 0.098 0.000 0.948 410 D HN 0.355 nan 8.370 nan 0.000 0.460 411 D N 0.691 121.113 120.400 0.037 0.000 2.323 411 D HA -0.023 4.617 4.640 -0.000 0.000 0.239 411 D C 0.225 176.530 176.300 0.009 0.000 1.129 411 D CA 0.133 54.174 54.000 0.067 0.000 0.865 411 D CB 0.096 41.005 40.800 0.181 0.000 0.913 411 D HN 0.007 nan 8.370 nan 0.000 0.517 412 K N -0.905 119.443 120.400 -0.087 0.000 3.125 412 K HA -0.170 4.150 4.320 -0.000 0.000 0.268 412 K C 0.001 176.579 176.600 -0.037 0.000 1.078 412 K CA 0.508 56.731 56.287 -0.106 0.000 0.775 412 K CB -2.484 29.971 32.500 -0.075 0.000 1.253 412 K HN 0.282 nan 8.250 nan 0.000 0.486 413 A N 1.017 123.833 122.820 -0.007 0.000 2.322 413 A HA 0.371 4.691 4.320 -0.000 0.000 0.269 413 A C 0.293 177.894 177.584 0.028 0.000 1.094 413 A CA -0.310 51.746 52.037 0.032 0.000 0.807 413 A CB 0.423 19.462 19.000 0.065 0.000 1.047 413 A HN 0.233 nan 8.150 nan 0.000 0.487 414 K N 1.693 122.120 120.400 0.046 0.000 2.310 414 K HA 0.400 4.720 4.320 -0.000 0.000 0.290 414 K C -1.093 175.547 176.600 0.066 0.000 1.077 414 K CA 0.314 56.644 56.287 0.073 0.000 0.922 414 K CB 0.363 32.906 32.500 0.071 0.000 1.057 414 K HN 0.539 nan 8.250 nan 0.000 0.479 415 L N 2.489 123.770 121.223 0.097 0.000 2.317 415 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 415 L C 0.368 177.376 176.870 0.230 0.000 1.024 415 L CA -0.995 53.872 54.840 0.045 0.000 0.810 415 L CB 1.653 43.535 42.059 -0.295 0.000 1.240 415 L HN 0.601 nan 8.230 nan 0.000 0.427 416 A N 3.750 126.669 122.820 0.164 0.000 2.366 416 A HA 0.579 4.899 4.320 -0.000 0.000 0.249 416 A C -2.329 175.442 177.584 0.313 0.000 1.084 416 A CA -1.208 50.943 52.037 0.190 0.000 0.794 416 A CB -0.370 18.689 19.000 0.098 0.000 1.034 416 A HN 0.471 nan 8.150 nan 0.000 0.491 417 P HA 0.270 nan 4.420 nan 0.000 0.267 417 P C 0.984 178.404 177.300 0.199 0.000 1.200 417 P CA 1.787 64.997 63.100 0.183 0.000 0.772 417 P CB 0.571 32.310 31.700 0.066 0.000 0.855 418 G N 1.064 109.998 108.800 0.223 0.000 2.199 418 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 418 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 418 G C 0.306 175.332 174.900 0.210 0.000 0.982 418 G CA 0.149 45.365 45.100 0.193 0.000 0.632 418 G HN 0.620 nan 8.290 nan 0.000 0.529 419 T N 1.624 116.314 114.554 0.225 0.000 2.888 419 T HA 0.502 4.851 4.350 -0.000 0.000 0.301 419 T C 0.811 175.510 174.700 -0.002 0.000 1.001 419 T CA 0.287 62.427 62.100 0.067 0.000 1.147 419 T CB 1.283 70.106 68.868 -0.076 0.000 0.931 419 T HN 0.335 nan 8.240 nan 0.000 0.541 420 I N 2.899 123.400 120.570 -0.116 0.000 2.385 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 420 I C -0.206 175.744 176.117 -0.278 0.000 0.988 420 I CA -0.813 60.354 61.300 -0.222 0.000 1.265 420 I CB 1.432 39.199 38.000 -0.388 0.000 1.388 420 I HN 0.257 nan 8.210 nan 0.000 0.480 421 V N 5.416 125.175 119.914 -0.259 0.000 2.448 421 V HA 0.278 4.398 4.120 -0.000 0.000 0.295 421 V C -0.140 175.846 176.094 -0.180 0.000 1.025 421 V CA -0.677 61.487 62.300 -0.227 0.000 0.859 421 V CB 1.604 33.261 31.823 -0.277 0.000 0.988 421 V HN 0.705 nan 8.190 nan 0.000 0.431 422 E N 3.588 123.744 120.200 -0.074 0.000 2.109 422 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 422 E C -1.193 175.610 176.600 0.338 0.000 0.954 422 E CA -0.487 55.956 56.400 0.072 0.000 0.779 422 E CB 1.681 31.417 29.700 0.059 0.000 1.093 422 E HN 0.508 nan 8.360 nan 0.000 0.401 423 V N 7.704 127.740 119.914 0.203 0.000 2.368 423 V HA 0.090 4.210 4.120 -0.000 0.000 0.266 423 V C 0.548 176.823 176.094 0.302 0.000 1.045 423 V CA -0.218 62.191 62.300 0.182 0.000 0.899 423 V CB 0.204 32.038 31.823 0.018 0.000 1.006 423 V HN 0.836 nan 8.190 nan 0.000 0.470 424 W N 3.660 125.077 121.300 0.196 0.000 2.865 424 W HA 0.344 5.003 4.660 -0.000 0.000 0.300 424 W C 0.127 176.617 176.519 -0.048 0.000 1.096 424 W CA -0.681 56.766 57.345 0.170 0.000 1.524 424 W CB 0.236 29.855 29.460 0.264 0.000 0.991 424 W HN 0.314 nan 8.180 nan 0.000 0.571 425 K N 3.380 123.329 120.400 -0.753 0.000 2.349 425 K HA -0.015 4.305 4.320 -0.000 0.000 0.288 425 K C 0.829 177.268 176.600 -0.269 0.000 1.058 425 K CA 0.291 56.117 56.287 -0.768 0.000 0.953 425 K CB 0.958 32.922 32.500 -0.894 0.000 0.997 425 K HN -0.046 nan 8.250 nan 0.000 0.477 426 D N 0.764 121.059 120.400 -0.174 0.000 2.355 426 D HA -0.073 4.567 4.640 -0.000 0.000 0.218 426 D C -0.188 176.144 176.300 0.054 0.000 1.004 426 D CA 0.093 54.128 54.000 0.059 0.000 0.880 426 D CB 0.153 40.975 40.800 0.037 0.000 0.911 426 D HN 0.038 nan 8.370 nan 0.000 0.528 427 S N 0.480 116.141 115.700 -0.065 0.000 2.414 427 S HA 0.432 4.902 4.470 -0.000 0.000 0.290 427 S C 0.753 175.302 174.600 -0.086 0.000 1.160 427 S CA 0.006 58.159 58.200 -0.077 0.000 1.069 427 S CB 0.431 63.573 63.200 -0.097 0.000 1.012 427 S HN 0.580 nan 8.310 nan 0.000 0.510 428 A N 2.417 125.159 122.820 -0.130 0.000 2.687 428 A HA -0.237 4.082 4.320 -0.000 0.000 0.299 428 A C 0.797 178.287 177.584 -0.156 0.000 1.497 428 A CA 1.316 53.250 52.037 -0.172 0.000 0.751 428 A CB -2.528 16.410 19.000 -0.103 0.000 1.048 428 A HN 1.204 nan 8.150 nan 0.000 0.464 429 Y N -2.281 117.962 120.300 -0.095 0.000 2.352 429 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 429 Y C -0.465 175.374 175.900 -0.101 0.000 1.136 429 Y CA 0.788 58.822 58.100 -0.110 0.000 1.227 429 Y CB -1.754 36.635 38.460 -0.118 0.000 0.991 429 Y HN 0.398 nan 8.280 nan 0.000 0.545 430 P HA -0.144 nan 4.420 nan 0.000 0.216 430 P C 1.075 178.349 177.300 -0.044 0.000 1.150 430 P CA 2.316 65.336 63.100 -0.132 0.000 0.837 430 P CB 0.001 31.585 31.700 -0.193 0.000 0.786 431 E N -0.543 119.627 120.200 -0.049 0.000 2.152 431 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 431 E C 1.982 178.585 176.600 0.005 0.000 0.983 431 E CA 0.802 57.204 56.400 0.004 0.000 0.818 431 E CB -0.270 29.428 29.700 -0.004 0.000 0.758 431 E HN 0.254 nan 8.360 nan 0.000 0.467 432 E N 1.385 121.578 120.200 -0.011 0.000 2.110 432 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 432 E C 1.935 178.493 176.600 -0.070 0.000 0.988 432 E CA 0.845 57.249 56.400 0.006 0.000 0.804 432 E CB -0.175 29.529 29.700 0.008 0.000 0.745 432 E HN 0.194 nan 8.360 nan 0.000 0.458 433 L N -0.086 121.027 121.223 -0.184 0.000 2.046 433 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 433 L C 2.548 179.186 176.870 -0.387 0.000 1.077 433 L CA 1.365 55.932 54.840 -0.455 0.000 0.747 433 L CB -0.517 40.943 42.059 -0.999 0.000 0.896 433 L HN 0.128 nan 8.230 nan 0.000 0.432 434 S N -0.435 115.171 115.700 -0.157 0.000 2.359 434 S HA -0.189 4.281 4.470 -0.000 0.000 0.224 434 S C 2.042 176.710 174.600 0.115 0.000 1.035 434 S CA 1.281 59.572 58.200 0.151 0.000 1.018 434 S CB -0.211 63.117 63.200 0.213 0.000 0.876 434 S HN 0.348 nan 8.310 nan 0.000 0.448 435 R N 0.407 120.969 120.500 0.103 0.000 2.080 435 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 435 R C 2.308 178.712 176.300 0.173 0.000 1.137 435 R CA 1.539 57.758 56.100 0.198 0.000 0.943 435 R CB -0.938 29.538 30.300 0.295 0.000 0.846 435 R HN 0.264 nan 8.270 nan 0.000 0.431 436 V N 1.130 120.989 119.914 -0.091 0.000 2.252 436 V HA -0.303 3.816 4.120 -0.000 0.000 0.249 436 V C 2.668 178.693 176.094 -0.115 0.000 1.056 436 V CA 2.494 64.521 62.300 -0.454 0.000 1.022 436 V CB -1.061 30.459 31.823 -0.505 0.000 0.641 436 V HN 0.608 nan 8.190 nan 0.000 0.445 437 T N -1.187 113.351 114.554 -0.026 0.000 2.915 437 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 437 T C 1.867 176.611 174.700 0.074 0.000 1.071 437 T CA 1.331 63.466 62.100 0.059 0.000 1.132 437 T CB -0.419 68.553 68.868 0.173 0.000 0.878 437 T HN 0.487 nan 8.240 nan 0.000 0.479 438 A N 1.618 124.501 122.820 0.104 0.000 1.930 438 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 438 A C 2.530 180.161 177.584 0.078 0.000 1.175 438 A CA 1.583 53.682 52.037 0.103 0.000 0.627 438 A CB -0.852 18.226 19.000 0.130 0.000 0.815 438 A HN 0.523 nan 8.150 nan 0.000 0.443 439 S N -1.445 114.329 115.700 0.124 0.000 2.607 439 S HA 0.331 4.801 4.470 -0.000 0.000 0.224 439 S C 1.390 175.841 174.600 -0.248 0.000 0.969 439 S CA 0.832 59.090 58.200 0.096 0.000 0.927 439 S CB -0.124 63.373 63.200 0.495 0.000 0.772 439 S HN 1.584 nan 8.310 nan 0.000 0.533 440 G N 0.870 109.550 108.800 -0.200 0.000 2.143 440 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.249 440 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.249 440 G C -0.098 174.577 174.900 -0.376 0.000 0.981 440 G CA -0.291 44.632 45.100 -0.294 0.000 0.665 440 G HN 0.427 nan 8.290 nan 0.000 0.528 441 F N 0.997 120.925 119.950 -0.036 0.000 2.385 441 F HA 0.560 5.087 4.527 -0.000 0.000 0.336 441 F C -1.569 174.168 175.800 -0.105 0.000 1.100 441 F CA -2.692 55.261 58.000 -0.078 0.000 1.116 441 F CB 1.142 40.056 39.000 -0.144 0.000 1.166 441 F HN -0.179 nan 8.300 nan 0.000 0.511 442 P HA 0.152 nan 4.420 nan 0.000 0.269 442 P C -1.054 176.184 177.300 -0.103 0.000 1.215 442 P CA -0.051 63.043 63.100 -0.010 0.000 0.780 442 P CB 1.060 32.740 31.700 -0.033 0.000 0.898 443 V N 4.155 123.957 119.914 -0.186 0.000 2.925 443 V HA 0.559 4.679 4.120 -0.000 0.000 0.311 443 V C -1.106 174.681 176.094 -0.513 0.000 1.104 443 V CA -0.846 61.279 62.300 -0.292 0.000 0.954 443 V CB 1.720 33.404 31.823 -0.232 0.000 1.022 443 V HN 0.297 nan 8.190 nan 0.000 0.427 444 I N 5.801 126.090 120.570 -0.468 0.000 2.465 444 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 444 I C -1.043 174.890 176.117 -0.306 0.000 1.014 444 I CA -0.757 60.223 61.300 -0.533 0.000 1.093 444 I CB 1.928 39.620 38.000 -0.512 0.000 1.267 444 I HN 0.489 nan 8.210 nan 0.000 0.431 445 L N 5.960 127.028 121.223 -0.258 0.000 2.282 445 L HA 0.453 4.793 4.340 -0.000 0.000 0.288 445 L C 0.679 177.690 176.870 0.235 0.000 1.033 445 L CA 0.607 55.455 54.840 0.012 0.000 0.807 445 L CB 1.478 43.605 42.059 0.113 0.000 1.209 445 L HN 0.727 nan 8.230 nan 0.000 0.423 446 S N 2.709 118.569 115.700 0.266 0.000 2.631 446 S HA 0.224 4.694 4.470 -0.000 0.000 0.246 446 S C 1.674 176.509 174.600 0.391 0.000 1.068 446 S CA 0.221 58.692 58.200 0.453 0.000 0.995 446 S CB -0.138 63.382 63.200 0.532 0.000 0.944 446 S HN 0.724 nan 8.310 nan 0.000 0.529 447 A N 3.814 126.718 122.820 0.140 0.000 1.906 447 A HA -0.114 4.205 4.320 -0.000 0.000 0.222 447 A C 0.171 177.673 177.584 -0.138 0.000 1.282 447 A CA 2.417 54.415 52.037 -0.065 0.000 0.675 447 A CB -2.055 16.718 19.000 -0.378 0.000 0.838 447 A HN 0.639 nan 8.150 nan 0.000 0.469 448 P HA 0.018 nan 4.420 nan 0.000 0.249 448 P C -0.416 176.864 177.300 -0.033 0.000 1.229 448 P CA 0.342 63.269 63.100 -0.288 0.000 0.788 448 P CB 0.058 31.423 31.700 -0.559 0.000 1.072 449 W N -0.043 121.379 121.300 0.203 0.000 1.689 449 W HA 0.282 4.942 4.660 -0.000 0.000 0.294 449 W C -0.684 175.872 176.519 0.063 0.000 0.824 449 W CA -0.773 56.587 57.345 0.025 0.000 2.398 449 W CB -0.486 28.962 29.460 -0.021 0.000 2.375 449 W HN -0.097 nan 8.180 nan 0.000 0.478 450 Y N 1.472 121.876 120.300 0.172 0.000 2.751 450 Y HA 0.116 4.666 4.550 -0.000 0.000 0.333 450 Y C 1.260 177.227 175.900 0.112 0.000 1.122 450 Y CA -0.482 57.722 58.100 0.173 0.000 1.367 450 Y CB 0.135 38.730 38.460 0.225 0.000 1.242 450 Y HN -0.102 nan 8.280 nan 0.000 0.505 451 L N 1.692 122.917 121.223 0.003 0.000 2.353 451 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 451 L C 2.091 179.010 176.870 0.081 0.000 1.133 451 L CA 1.300 56.128 54.840 -0.020 0.000 0.798 451 L CB -0.446 41.493 42.059 -0.200 0.000 0.922 451 L HN 0.579 nan 8.230 nan 0.000 0.445 452 D N -0.508 119.961 120.400 0.114 0.000 2.269 452 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 452 D C 1.008 177.437 176.300 0.215 0.000 0.963 452 D CA 0.489 54.590 54.000 0.168 0.000 0.864 452 D CB -0.232 40.711 40.800 0.239 0.000 0.936 452 D HN 0.279 nan 8.370 nan 0.000 0.505 453 L N 2.598 123.978 121.223 0.263 0.000 2.395 453 L HA 0.246 4.586 4.340 -0.000 0.000 0.268 453 L C 0.731 177.729 176.870 0.213 0.000 1.223 453 L CA -0.555 54.425 54.840 0.232 0.000 1.093 453 L CB -0.342 41.873 42.059 0.261 0.000 1.349 453 L HN 0.061 nan 8.230 nan 0.000 0.427 454 I N -0.038 120.627 120.570 0.158 0.000 2.823 454 I HA 0.572 4.742 4.170 -0.000 0.000 0.290 454 I C 0.466 176.658 176.117 0.125 0.000 1.091 454 I CA -0.029 61.360 61.300 0.148 0.000 1.365 454 I CB 1.426 39.493 38.000 0.111 0.000 1.427 454 I HN 0.507 nan 8.210 nan 0.000 0.583 455 S N 3.026 118.803 115.700 0.129 0.000 2.625 455 S HA 0.391 4.861 4.470 -0.000 0.000 0.271 455 S C -0.967 173.724 174.600 0.151 0.000 1.161 455 S CA -0.849 57.427 58.200 0.127 0.000 0.820 455 S CB 1.021 64.283 63.200 0.104 0.000 1.137 455 S HN 0.732 nan 8.310 nan 0.000 0.470 456 Y N 1.938 122.265 120.300 0.044 0.000 2.497 456 Y HA 0.470 5.020 4.550 -0.000 0.000 0.334 456 Y C 1.042 176.976 175.900 0.056 0.000 1.199 456 Y CA 1.908 60.038 58.100 0.051 0.000 1.425 456 Y CB -0.054 38.429 38.460 0.039 0.000 1.291 456 Y HN 1.667 nan 8.280 nan 0.000 0.562 457 G N 4.319 112.676 108.800 -0.739 0.000 2.632 457 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.224 457 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.224 457 G C -0.667 174.154 174.900 -0.133 0.000 1.341 457 G CA -0.155 44.645 45.100 -0.500 0.000 0.880 457 G HN 0.774 nan 8.290 nan 0.000 0.566 458 Q N 1.344 121.100 119.800 -0.073 0.000 3.141 458 Q HA 0.134 4.474 4.340 -0.000 0.000 0.304 458 Q C 1.150 177.038 176.000 -0.185 0.000 1.305 458 Q CA 0.530 56.337 55.803 0.008 0.000 0.929 458 Q CB -0.101 28.613 28.738 -0.041 0.000 1.701 458 Q HN 0.660 nan 8.270 nan 0.000 0.483 459 D N 0.286 120.637 120.400 -0.082 0.000 2.384 459 D HA -0.213 4.427 4.640 -0.000 0.000 0.222 459 D C 1.436 177.556 176.300 -0.300 0.000 0.976 459 D CA 0.362 54.228 54.000 -0.223 0.000 0.915 459 D CB -0.440 40.266 40.800 -0.156 0.000 0.896 459 D HN 0.676 nan 8.370 nan 0.000 0.523 460 W N 1.896 123.176 121.300 -0.033 0.000 2.374 460 W HA -0.099 4.561 4.660 -0.000 0.000 0.288 460 W C 1.459 178.067 176.519 0.148 0.000 1.218 460 W CA 0.360 57.785 57.345 0.135 0.000 1.245 460 W CB -0.880 28.671 29.460 0.153 0.000 1.126 460 W HN -0.035 nan 8.180 nan 0.000 0.545 461 R N 1.720 121.714 120.500 -0.843 0.000 2.096 461 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 461 R C 2.386 178.567 176.300 -0.199 0.000 1.127 461 R CA 2.327 57.929 56.100 -0.830 0.000 0.968 461 R CB -0.596 29.087 30.300 -1.029 0.000 0.861 461 R HN 0.337 nan 8.270 nan 0.000 0.440 462 K N -0.067 120.193 120.400 -0.233 0.000 2.097 462 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 462 K C 1.402 178.094 176.600 0.152 0.000 1.050 462 K CA 1.351 57.584 56.287 -0.091 0.000 0.938 462 K CB -0.273 32.118 32.500 -0.182 0.000 0.718 462 K HN 0.107 nan 8.250 nan 0.000 0.442 463 Y N 0.146 120.675 120.300 0.382 0.000 2.242 463 Y HA -0.128 4.422 4.550 -0.000 0.000 0.291 463 Y C 2.350 178.666 175.900 0.694 0.000 1.137 463 Y CA 0.471 58.959 58.100 0.646 0.000 1.181 463 Y CB -1.022 37.808 38.460 0.616 0.000 0.989 463 Y HN 0.130 nan 8.280 nan 0.000 0.527 464 Y N 1.042 121.674 120.300 0.555 0.000 2.293 464 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 464 Y C 2.029 178.149 175.900 0.367 0.000 1.137 464 Y CA 1.487 59.882 58.100 0.492 0.000 1.202 464 Y CB -0.102 38.681 38.460 0.539 0.000 0.990 464 Y HN -0.036 nan 8.280 nan 0.000 0.537 465 K N -0.063 120.562 120.400 0.375 0.000 2.365 465 K HA -0.001 4.319 4.320 -0.000 0.000 0.199 465 K C 0.328 177.040 176.600 0.186 0.000 1.045 465 K CA 0.291 56.710 56.287 0.221 0.000 0.962 465 K CB -0.084 32.509 32.500 0.155 0.000 0.759 465 K HN 0.004 nan 8.250 nan 0.000 0.469 466 V N 2.687 122.766 119.914 0.275 0.000 2.617 466 V HA -0.083 4.037 4.120 -0.000 0.000 0.304 466 V C 0.231 176.457 176.094 0.220 0.000 1.040 466 V CA 0.360 62.801 62.300 0.236 0.000 1.149 466 V CB 0.698 32.667 31.823 0.243 0.000 0.914 466 V HN 0.195 nan 8.190 nan 0.000 0.487 467 E N 7.947 128.235 120.200 0.147 0.000 2.255 467 E HA 0.395 4.745 4.350 -0.000 0.000 0.245 467 E C -1.996 174.662 176.600 0.096 0.000 0.909 467 E CA -2.543 53.929 56.400 0.119 0.000 0.747 467 E CB 1.665 31.407 29.700 0.069 0.000 1.215 467 E HN 0.307 nan 8.360 nan 0.000 0.424 468 P HA -0.171 nan 4.420 nan 0.000 0.217 468 P C 0.738 177.936 177.300 -0.171 0.000 1.151 468 P CA 1.178 64.209 63.100 -0.115 0.000 0.849 468 P CB 0.198 31.697 31.700 -0.334 0.000 0.787 469 L N -1.239 119.903 121.223 -0.136 0.000 2.645 469 L HA 0.068 4.408 4.340 -0.000 0.000 0.235 469 L C 0.141 176.900 176.870 -0.184 0.000 1.150 469 L CA 0.254 55.006 54.840 -0.147 0.000 0.911 469 L CB -0.624 41.348 42.059 -0.145 0.000 1.077 469 L HN -0.140 nan 8.230 nan 0.000 0.438 470 D N 1.722 122.128 120.400 0.011 0.000 2.558 470 D HA 0.295 4.934 4.640 -0.000 0.000 0.221 470 D C -0.383 175.985 176.300 0.113 0.000 1.143 470 D CA 0.272 54.269 54.000 -0.004 0.000 1.010 470 D CB -0.144 40.669 40.800 0.022 0.000 1.068 470 D HN 0.099 nan 8.370 nan 0.000 0.511 471 F N -2.067 117.862 119.950 -0.036 0.000 2.686 471 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 471 F C 0.163 175.956 175.800 -0.011 0.000 1.128 471 F CA -1.709 56.276 58.000 -0.025 0.000 0.946 471 F CB 0.619 39.620 39.000 0.002 0.000 1.336 471 F HN -0.039 nan 8.300 nan 0.000 0.457 472 G N 0.181 109.087 108.800 0.177 0.000 2.361 472 G HA2 0.536 4.496 3.960 -0.000 0.000 0.260 472 G HA3 0.536 4.496 3.960 -0.000 0.000 0.260 472 G C -0.281 174.679 174.900 0.099 0.000 1.261 472 G CA 0.028 45.166 45.100 0.064 0.000 0.897 472 G HN 1.539 nan 8.290 nan 0.000 0.499 473 G N 0.728 109.501 108.800 -0.046 0.000 2.355 473 G HA2 0.612 4.572 3.960 -0.000 0.000 0.296 473 G HA3 0.612 4.572 3.960 -0.000 0.000 0.296 473 G C -0.192 174.675 174.900 -0.054 0.000 1.507 473 G CA 0.067 45.169 45.100 0.003 0.000 0.823 473 G HN 1.061 nan 8.290 nan 0.000 0.569 474 T N -1.992 112.559 114.554 -0.005 0.000 2.732 474 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 474 T C 1.447 176.131 174.700 -0.026 0.000 0.993 474 T CA 0.620 62.711 62.100 -0.015 0.000 0.966 474 T CB 1.431 70.304 68.868 0.007 0.000 1.047 474 T HN 0.744 nan 8.240 nan 0.000 0.527 475 Q N -0.025 119.762 119.800 -0.021 0.000 2.119 475 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 475 Q C 2.203 178.211 176.000 0.014 0.000 0.972 475 Q CA 1.238 57.031 55.803 -0.017 0.000 0.847 475 Q CB -0.141 28.588 28.738 -0.015 0.000 0.903 475 Q HN 0.672 nan 8.270 nan 0.000 0.433 476 K N -0.020 120.393 120.400 0.022 0.000 2.097 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 476 K C 2.170 178.809 176.600 0.065 0.000 1.050 476 K CA 1.348 57.657 56.287 0.037 0.000 0.938 476 K CB 0.033 32.549 32.500 0.027 0.000 0.718 476 K HN 0.319 nan 8.250 nan 0.000 0.442 477 Q N 0.472 120.317 119.800 0.075 0.000 2.046 477 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 477 Q C 1.818 177.943 176.000 0.209 0.000 0.975 477 Q CA 1.370 57.255 55.803 0.137 0.000 0.836 477 Q CB 0.150 28.983 28.738 0.158 0.000 0.896 477 Q HN -0.019 nan 8.270 nan 0.000 0.428 478 K N 0.620 121.103 120.400 0.137 0.000 2.152 478 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 478 K C 1.817 178.560 176.600 0.238 0.000 1.048 478 K CA 1.314 57.696 56.287 0.157 0.000 0.933 478 K CB -0.022 32.463 32.500 -0.025 0.000 0.721 478 K HN 0.251 nan 8.250 nan 0.000 0.447 479 Q N -0.310 119.589 119.800 0.165 0.000 2.364 479 Q HA -0.029 4.311 4.340 -0.000 0.000 0.207 479 Q C 1.541 177.654 176.000 0.188 0.000 0.970 479 Q CA 0.689 56.589 55.803 0.162 0.000 0.888 479 Q CB 0.014 28.809 28.738 0.096 0.000 0.951 479 Q HN 0.289 nan 8.270 nan 0.000 0.469 480 L N -0.396 120.944 121.223 0.196 0.000 2.478 480 L HA 0.029 4.369 4.340 -0.000 0.000 0.223 480 L C 0.632 177.609 176.870 0.178 0.000 1.140 480 L CA -0.179 54.752 54.840 0.153 0.000 0.842 480 L CB 0.024 42.152 42.059 0.115 0.000 0.953 480 L HN 0.163 nan 8.230 nan 0.000 0.452 481 F N 1.789 121.824 119.950 0.142 0.000 2.466 481 F HA 0.114 4.641 4.527 -0.000 0.000 0.363 481 F C 1.296 177.159 175.800 0.105 0.000 1.109 481 F CA -0.344 57.714 58.000 0.096 0.000 1.161 481 F CB 0.537 39.647 39.000 0.182 0.000 1.117 481 F HN -0.039 nan 8.300 nan 0.000 0.539 482 I N 3.011 123.479 120.570 -0.169 0.000 3.968 482 I HA 0.607 4.777 4.170 -0.000 0.000 0.328 482 I C 0.778 176.889 176.117 -0.010 0.000 1.290 482 I CA 0.427 61.731 61.300 0.007 0.000 1.163 482 I CB -0.367 37.601 38.000 -0.054 0.000 1.024 482 I HN 0.684 nan 8.210 nan 0.000 0.413 483 G N 0.338 108.859 108.800 -0.464 0.000 2.332 483 G HA2 0.404 4.364 3.960 -0.000 0.000 0.265 483 G HA3 0.404 4.364 3.960 -0.000 0.000 0.265 483 G C -0.892 173.823 174.900 -0.309 0.000 1.329 483 G CA -0.335 44.617 45.100 -0.246 0.000 0.949 483 G HN 0.593 nan 8.290 nan 0.000 0.476 484 G N -1.349 107.501 108.800 0.083 0.000 2.663 484 G HA2 0.733 4.693 3.960 -0.000 0.000 0.299 484 G HA3 0.733 4.693 3.960 -0.000 0.000 0.299 484 G C -1.661 173.424 174.900 0.309 0.000 1.372 484 G CA -0.200 45.040 45.100 0.233 0.000 0.781 484 G HN 0.741 nan 8.290 nan 0.000 0.491 485 E N -1.032 119.371 120.200 0.339 0.000 2.356 485 E HA 0.574 4.924 4.350 -0.000 0.000 0.275 485 E C -0.818 175.898 176.600 0.193 0.000 0.904 485 E CA -1.028 55.526 56.400 0.257 0.000 0.757 485 E CB 2.676 32.522 29.700 0.242 0.000 1.232 485 E HN 0.712 nan 8.360 nan 0.000 0.442 486 A N 1.574 124.394 122.820 -0.001 0.000 2.276 486 A HA 0.522 4.842 4.320 -0.000 0.000 0.316 486 A C -0.523 176.910 177.584 -0.250 0.000 1.229 486 A CA -0.483 51.476 52.037 -0.129 0.000 0.851 486 A CB 0.294 19.116 19.000 -0.296 0.000 1.165 486 A HN 0.660 nan 8.150 nan 0.000 0.513 487 C N 2.194 121.318 119.300 -0.294 0.000 2.355 487 C HA 0.621 5.081 4.460 -0.000 0.000 0.332 487 C C -0.015 174.649 174.990 -0.543 0.000 1.255 487 C CA -0.331 58.348 59.018 -0.565 0.000 1.792 487 C CB 0.661 27.924 27.740 -0.795 0.000 2.300 487 C HN 0.805 nan 8.230 nan 0.000 0.515 488 L N 3.645 124.493 121.223 -0.626 0.000 2.495 488 L HA 0.459 4.799 4.340 -0.000 0.000 0.248 488 L C -0.794 175.838 176.870 -0.397 0.000 1.229 488 L CA -0.099 54.504 54.840 -0.396 0.000 0.942 488 L CB -0.168 41.688 42.059 -0.338 0.000 1.242 488 L HN 0.783 nan 8.230 nan 0.000 0.484 489 W N 2.067 123.223 121.300 -0.241 0.000 2.170 489 W HA 0.375 5.035 4.660 -0.000 0.000 0.342 489 W C 1.523 177.994 176.519 -0.079 0.000 1.294 489 W CA 0.326 57.547 57.345 -0.206 0.000 1.246 489 W CB 0.724 30.046 29.460 -0.230 0.000 1.156 489 W HN 0.609 nan 8.180 nan 0.000 0.572 490 G N 0.968 109.878 108.800 0.183 0.000 3.371 490 G HA2 0.004 3.964 3.960 -0.000 0.000 0.248 490 G HA3 0.004 3.964 3.960 -0.000 0.000 0.248 490 G C 0.892 175.911 174.900 0.199 0.000 1.161 490 G CA -0.184 45.025 45.100 0.182 0.000 0.796 490 G HN 0.490 nan 8.290 nan 0.000 0.539 491 E N 0.108 120.330 120.200 0.037 0.000 2.130 491 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 491 E C 0.598 176.935 176.600 -0.439 0.000 0.998 491 E CA 1.270 57.493 56.400 -0.295 0.000 0.806 491 E CB -0.186 29.175 29.700 -0.566 0.000 0.738 491 E HN 0.704 nan 8.360 nan 0.000 0.459 492 Y N -1.293 119.132 120.300 0.208 0.000 2.660 492 Y HA 0.337 4.887 4.550 -0.000 0.000 0.254 492 Y C -0.485 175.436 175.900 0.035 0.000 1.176 492 Y CA -0.528 57.654 58.100 0.137 0.000 1.195 492 Y CB 1.024 39.540 38.460 0.094 0.000 1.190 492 Y HN -0.239 nan 8.280 nan 0.000 0.535 493 V N 1.880 121.855 119.914 0.101 0.000 2.483 493 V HA 0.406 4.526 4.120 -0.000 0.000 0.297 493 V C -0.777 175.232 176.094 -0.142 0.000 1.027 493 V CA -0.723 61.571 62.300 -0.011 0.000 0.855 493 V CB 1.625 33.471 31.823 0.037 0.000 0.995 493 V HN 0.308 nan 8.190 nan 0.000 0.424 494 D N 4.082 124.354 120.400 -0.213 0.000 2.837 494 D HA 0.548 5.188 4.640 -0.000 0.000 0.294 494 D C 1.036 177.298 176.300 -0.062 0.000 1.158 494 D CA 0.014 53.922 54.000 -0.154 0.000 1.073 494 D CB 1.339 41.965 40.800 -0.289 0.000 1.419 494 D HN 0.427 nan 8.370 nan 0.000 0.584 495 A N -0.704 122.104 122.820 -0.020 0.000 2.076 495 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 495 A C 1.892 179.470 177.584 -0.011 0.000 1.160 495 A CA 2.582 54.614 52.037 -0.008 0.000 0.653 495 A CB -1.444 17.564 19.000 0.014 0.000 0.801 495 A HN 0.717 nan 8.150 nan 0.000 0.455 496 T N -1.683 112.859 114.554 -0.021 0.000 2.995 496 T HA -0.085 4.264 4.350 -0.000 0.000 0.269 496 T C 1.040 175.736 174.700 -0.007 0.000 1.091 496 T CA 1.325 63.418 62.100 -0.012 0.000 1.128 496 T CB -0.284 68.575 68.868 -0.015 0.000 0.891 496 T HN 0.662 nan 8.240 nan 0.000 0.492 497 N N -0.308 118.382 118.700 -0.016 0.000 2.036 497 N HA 0.169 4.909 4.740 -0.000 0.000 0.228 497 N C 1.199 176.704 175.510 -0.008 0.000 1.368 497 N CA -0.142 52.906 53.050 -0.003 0.000 0.846 497 N CB -0.562 37.927 38.487 0.002 0.000 1.145 497 N HN 0.383 nan 8.380 nan 0.000 0.502 498 L N 1.034 122.245 121.223 -0.020 0.000 1.970 498 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 498 L C 1.776 178.625 176.870 -0.034 0.000 1.071 498 L CA 1.937 56.754 54.840 -0.039 0.000 0.751 498 L CB -0.684 41.347 42.059 -0.047 0.000 0.889 498 L HN 0.088 nan 8.230 nan 0.000 0.432 499 T N 0.813 115.382 114.554 0.026 0.000 2.652 499 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 499 T C -0.720 174.049 174.700 0.115 0.000 1.039 499 T CA 1.821 63.993 62.100 0.120 0.000 1.153 499 T CB -1.260 67.697 68.868 0.148 0.000 0.863 499 T HN 0.423 nan 8.240 nan 0.000 0.428 500 P HA -0.083 nan 4.420 nan 0.000 0.218 500 P C 1.421 178.739 177.300 0.030 0.000 1.149 500 P CA 1.234 64.372 63.100 0.063 0.000 0.817 500 P CB -0.013 31.715 31.700 0.046 0.000 0.785 501 R N -0.505 119.992 120.500 -0.004 0.000 2.090 501 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 501 R C 2.315 178.550 176.300 -0.109 0.000 1.110 501 R CA 0.759 56.845 56.100 -0.023 0.000 0.973 501 R CB -0.753 29.537 30.300 -0.017 0.000 0.869 501 R HN 0.066 nan 8.270 nan 0.000 0.440 502 L N -0.545 120.533 121.223 -0.241 0.000 2.131 502 L HA 0.128 4.467 4.340 -0.000 0.000 0.206 502 L C -0.368 176.056 176.870 -0.743 0.000 1.087 502 L CA 1.209 55.699 54.840 -0.583 0.000 0.767 502 L CB 0.082 41.643 42.059 -0.830 0.000 0.917 502 L HN 0.096 nan 8.230 nan 0.000 0.441 503 W N -0.230 121.045 121.300 -0.041 0.000 2.606 503 W HA 0.439 5.099 4.660 -0.000 0.000 0.332 503 W C -1.546 174.942 176.519 -0.052 0.000 1.052 503 W CA -1.535 55.782 57.345 -0.046 0.000 1.223 503 W CB 0.554 29.975 29.460 -0.064 0.000 1.383 503 W HN -0.191 nan 8.180 nan 0.000 0.524 504 P HA 0.074 nan 4.420 nan 0.000 0.257 504 P C 0.915 178.293 177.300 0.130 0.000 1.281 504 P CA 0.362 63.547 63.100 0.142 0.000 0.826 504 P CB 0.364 31.994 31.700 -0.116 0.000 1.237 505 R N 0.728 121.301 120.500 0.121 0.000 2.103 505 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 505 R C 2.315 178.729 176.300 0.190 0.000 1.142 505 R CA 1.983 58.224 56.100 0.235 0.000 0.960 505 R CB -0.971 29.468 30.300 0.232 0.000 0.858 505 R HN 0.160 nan 8.270 nan 0.000 0.439 506 A N 0.151 122.930 122.820 -0.069 0.000 2.067 506 A HA -0.078 4.241 4.320 -0.000 0.000 0.219 506 A C 2.059 179.864 177.584 0.369 0.000 1.158 506 A CA 1.266 53.229 52.037 -0.123 0.000 0.661 506 A CB -0.212 18.300 19.000 -0.813 0.000 0.801 506 A HN 0.221 nan 8.150 nan 0.000 0.452 507 S N 0.047 116.045 115.700 0.497 0.000 2.419 507 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 507 S C 2.205 177.267 174.600 0.770 0.000 1.019 507 S CA 1.067 59.663 58.200 0.661 0.000 0.982 507 S CB -0.337 63.014 63.200 0.251 0.000 0.789 507 S HN 0.793 nan 8.310 nan 0.000 0.490 508 A N 1.108 124.314 122.820 0.642 0.000 1.873 508 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 508 A C 2.315 180.269 177.584 0.618 0.000 1.186 508 A CA 1.458 54.015 52.037 0.867 0.000 0.616 508 A CB -0.844 18.704 19.000 0.914 0.000 0.823 508 A HN 0.354 nan 8.150 nan 0.000 0.442 509 V N 0.061 120.162 119.914 0.313 0.000 2.407 509 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 509 V C 2.797 178.896 176.094 0.007 0.000 1.055 509 V CA 1.825 64.052 62.300 -0.121 0.000 1.049 509 V CB -1.488 30.047 31.823 -0.480 0.000 0.662 509 V HN 0.615 nan 8.190 nan 0.000 0.455 510 G N -0.335 108.601 108.800 0.228 0.000 2.440 510 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 510 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 510 G C 1.537 176.444 174.900 0.011 0.000 1.154 510 G CA 1.060 46.067 45.100 -0.156 0.000 0.767 510 G HN 0.597 nan 8.290 nan 0.000 0.552 511 E N -0.107 120.198 120.200 0.175 0.000 2.107 511 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 511 E C 2.498 179.116 176.600 0.030 0.000 0.982 511 E CA 0.723 57.095 56.400 -0.046 0.000 0.809 511 E CB -0.062 29.425 29.700 -0.355 0.000 0.756 511 E HN 0.235 nan 8.360 nan 0.000 0.459 512 R N 0.527 121.069 120.500 0.070 0.000 2.120 512 R HA -0.026 4.313 4.340 -0.000 0.000 0.234 512 R C 2.009 178.427 176.300 0.197 0.000 1.123 512 R CA 1.298 57.440 56.100 0.070 0.000 0.975 512 R CB -0.399 29.991 30.300 0.149 0.000 0.866 512 R HN 0.302 nan 8.270 nan 0.000 0.446 513 L N -1.131 120.196 121.223 0.173 0.000 2.341 513 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 513 L C 2.058 179.088 176.870 0.267 0.000 1.115 513 L CA 0.387 55.430 54.840 0.339 0.000 0.820 513 L CB -0.339 41.819 42.059 0.166 0.000 0.944 513 L HN 0.356 nan 8.230 nan 0.000 0.452 514 W N 0.513 121.803 121.300 -0.017 0.000 2.678 514 W HA 0.148 4.808 4.660 -0.000 0.000 0.282 514 W C 0.908 177.366 176.519 -0.101 0.000 1.137 514 W CA 0.140 57.445 57.345 -0.067 0.000 1.515 514 W CB 0.006 29.399 29.460 -0.112 0.000 1.101 514 W HN -0.123 nan 8.180 nan 0.000 0.564 515 S N 1.714 117.532 115.700 0.196 0.000 2.600 515 S HA 0.112 4.582 4.470 -0.000 0.000 0.265 515 S C 0.446 175.006 174.600 -0.067 0.000 1.325 515 S CA -0.098 58.154 58.200 0.086 0.000 1.002 515 S CB 1.036 64.261 63.200 0.042 0.000 0.921 515 S HN 0.203 nan 8.310 nan 0.000 0.554 516 S N 1.170 116.822 115.700 -0.081 0.000 2.573 516 S HA 0.124 4.594 4.470 -0.000 0.000 0.277 516 S C 1.079 175.637 174.600 -0.069 0.000 1.346 516 S CA -0.638 57.498 58.200 -0.107 0.000 1.034 516 S CB 0.352 63.498 63.200 -0.090 0.000 0.879 516 S HN 0.789 nan 8.310 nan 0.000 0.528 517 K N 0.702 121.059 120.400 -0.072 0.000 2.173 517 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 517 K C 0.550 177.138 176.600 -0.020 0.000 1.046 517 K CA 1.942 58.210 56.287 -0.032 0.000 0.929 517 K CB -0.331 32.148 32.500 -0.035 0.000 0.720 517 K HN 0.675 nan 8.250 nan 0.000 0.453 518 D N 0.404 120.791 120.400 -0.022 0.000 2.363 518 D HA -0.026 4.614 4.640 -0.000 0.000 0.220 518 D C -0.052 176.259 176.300 0.017 0.000 0.994 518 D CA 0.314 54.313 54.000 -0.002 0.000 0.890 518 D CB 0.267 41.064 40.800 -0.005 0.000 0.906 518 D HN -0.035 nan 8.370 nan 0.000 0.530 519 V N 1.808 121.728 119.914 0.009 0.000 2.364 519 V HA 0.133 4.253 4.120 -0.000 0.000 0.252 519 V C 1.217 177.360 176.094 0.082 0.000 1.075 519 V CA 0.426 62.753 62.300 0.046 0.000 1.033 519 V CB 0.066 31.901 31.823 0.020 0.000 1.116 519 V HN 0.043 nan 8.190 nan 0.000 0.488 520 R N 1.656 122.250 120.500 0.157 0.000 2.526 520 R HA 0.136 4.476 4.340 -0.000 0.000 0.346 520 R C 0.025 176.518 176.300 0.321 0.000 0.926 520 R CA -0.483 55.764 56.100 0.247 0.000 1.147 520 R CB 0.618 30.993 30.300 0.125 0.000 1.629 520 R HN 0.694 nan 8.270 nan 0.000 0.516 521 D N 1.098 121.645 120.400 0.246 0.000 2.434 521 D HA -0.029 4.611 4.640 -0.000 0.000 0.252 521 D C 1.410 177.858 176.300 0.247 0.000 1.185 521 D CA 0.166 54.285 54.000 0.199 0.000 0.886 521 D CB 0.824 41.711 40.800 0.144 0.000 1.148 521 D HN -0.175 nan 8.370 nan 0.000 0.483 522 M N 2.531 122.255 119.600 0.206 0.000 2.175 522 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 522 M C 1.249 177.693 176.300 0.239 0.000 1.063 522 M CA 1.147 56.569 55.300 0.205 0.000 1.119 522 M CB -0.689 31.973 32.600 0.104 0.000 1.377 522 M HN 0.488 nan 8.290 nan 0.000 0.415 523 D N 0.440 120.943 120.400 0.171 0.000 2.117 523 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 523 D C 1.663 178.092 176.300 0.215 0.000 0.987 523 D CA 1.358 55.465 54.000 0.178 0.000 0.829 523 D CB -0.336 40.526 40.800 0.104 0.000 0.961 523 D HN 0.375 nan 8.370 nan 0.000 0.460 524 D N 0.223 120.728 120.400 0.175 0.000 2.144 524 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 524 D C 1.944 178.357 176.300 0.188 0.000 0.978 524 D CA 1.405 55.497 54.000 0.153 0.000 0.833 524 D CB -0.010 40.867 40.800 0.127 0.000 0.961 524 D HN 0.077 nan 8.370 nan 0.000 0.470 525 A N -0.379 122.582 122.820 0.235 0.000 1.865 525 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 525 A C 2.266 179.945 177.584 0.158 0.000 1.191 525 A CA 1.706 53.899 52.037 0.261 0.000 0.623 525 A CB -1.510 17.536 19.000 0.076 0.000 0.826 525 A HN 0.497 nan 8.150 nan 0.000 0.444 526 Y N 0.967 121.344 120.300 0.129 0.000 2.114 526 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 526 Y C 2.133 177.989 175.900 -0.074 0.000 1.165 526 Y CA 2.337 60.439 58.100 0.004 0.000 1.148 526 Y CB -0.380 38.202 38.460 0.203 0.000 0.972 526 Y HN 0.465 nan 8.280 nan 0.000 0.504 527 D N -0.471 119.944 120.400 0.025 0.000 2.117 527 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 527 D C 2.152 178.372 176.300 -0.133 0.000 0.987 527 D CA 1.678 55.638 54.000 -0.066 0.000 0.829 527 D CB -0.128 40.706 40.800 0.057 0.000 0.961 527 D HN 0.374 nan 8.370 nan 0.000 0.460 528 R N -0.280 120.208 120.500 -0.020 0.000 2.073 528 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 528 R C 2.516 178.759 176.300 -0.095 0.000 1.120 528 R CA 0.366 56.494 56.100 0.046 0.000 0.967 528 R CB -0.367 30.089 30.300 0.261 0.000 0.862 528 R HN 0.253 nan 8.270 nan 0.000 0.436 529 L N 0.577 121.583 121.223 -0.362 0.000 2.012 529 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 529 L C 2.004 178.487 176.870 -0.646 0.000 1.073 529 L CA 1.618 55.918 54.840 -0.900 0.000 0.748 529 L CB -0.456 40.810 42.059 -1.323 0.000 0.891 529 L HN 0.264 nan 8.230 nan 0.000 0.431 530 T N -0.499 113.665 114.554 -0.650 0.000 2.665 530 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 530 T C 1.905 176.374 174.700 -0.385 0.000 1.035 530 T CA 1.546 63.306 62.100 -0.566 0.000 1.151 530 T CB -0.117 68.342 68.868 -0.682 0.000 0.862 530 T HN 0.359 nan 8.240 nan 0.000 0.438 531 R N -0.599 119.718 120.500 -0.305 0.000 2.119 531 R HA -0.018 4.322 4.340 -0.000 0.000 0.222 531 R C 2.374 178.559 176.300 -0.191 0.000 1.088 531 R CA 1.074 57.036 56.100 -0.230 0.000 0.984 531 R CB -0.305 29.890 30.300 -0.175 0.000 0.884 531 R HN 0.470 nan 8.270 nan 0.000 0.447 532 H N 1.166 120.058 119.070 -0.296 0.000 2.389 532 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 532 H C 2.141 177.283 175.328 -0.309 0.000 1.081 532 H CA 1.508 57.388 56.048 -0.281 0.000 1.345 532 H CB 0.064 29.625 29.762 -0.336 0.000 1.393 532 H HN -0.077 nan 8.280 nan 0.000 0.520 533 R N 0.014 120.270 120.500 -0.406 0.000 2.081 533 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 533 R C 2.102 178.211 176.300 -0.318 0.000 1.131 533 R CA 1.544 57.413 56.100 -0.384 0.000 0.960 533 R CB -1.028 29.079 30.300 -0.322 0.000 0.856 533 R HN 0.462 nan 8.270 nan 0.000 0.436 534 c N 0.452 118.877 118.600 -0.292 0.000 2.429 534 c HA -0.029 4.541 4.570 -0.000 0.000 0.277 534 c C 2.897 176.836 174.090 -0.250 0.000 1.262 534 c CA 0.922 57.097 56.329 -0.257 0.000 1.733 534 c CB -1.090 41.257 42.510 -0.271 0.000 2.010 534 c HN 0.545 nan 8.230 nan 0.000 0.483 535 R N 0.525 120.853 120.500 -0.287 0.000 2.096 535 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 535 R C 2.158 178.227 176.300 -0.385 0.000 1.127 535 R CA 1.635 57.551 56.100 -0.307 0.000 0.968 535 R CB -0.331 29.791 30.300 -0.298 0.000 0.861 535 R HN 0.480 nan 8.270 nan 0.000 0.440 536 M N 0.129 119.464 119.600 -0.442 0.000 2.086 536 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 536 M C 2.293 178.457 176.300 -0.227 0.000 1.067 536 M CA 1.518 56.585 55.300 -0.389 0.000 1.116 536 M CB -0.109 32.255 32.600 -0.393 0.000 1.348 536 M HN 0.045 nan 8.290 nan 0.000 0.407 537 V N 0.519 120.328 119.914 -0.176 0.000 2.287 537 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 537 V C 2.016 178.074 176.094 -0.059 0.000 1.053 537 V CA 2.047 64.298 62.300 -0.081 0.000 1.027 537 V CB -0.839 30.958 31.823 -0.042 0.000 0.646 537 V HN 0.496 nan 8.190 nan 0.000 0.447 538 E N -0.224 119.920 120.200 -0.092 0.000 2.160 538 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 538 E C 2.164 178.721 176.600 -0.071 0.000 0.991 538 E CA 1.002 57.366 56.400 -0.061 0.000 0.810 538 E CB -0.142 29.502 29.700 -0.094 0.000 0.742 538 E HN 0.548 nan 8.360 nan 0.000 0.466 539 R N -0.673 119.734 120.500 -0.155 0.000 2.320 539 R HA 0.080 4.420 4.340 -0.000 0.000 0.211 539 R C 0.894 177.204 176.300 0.016 0.000 0.931 539 R CA 0.517 56.537 56.100 -0.132 0.000 1.071 539 R CB 0.627 30.618 30.300 -0.516 0.000 1.025 539 R HN 0.239 nan 8.270 nan 0.000 0.495 540 G N 1.005 109.808 108.800 0.006 0.000 2.157 540 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.239 540 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.239 540 G C -0.008 174.907 174.900 0.025 0.000 0.982 540 G CA -0.514 44.606 45.100 0.034 0.000 0.650 540 G HN 0.142 nan 8.290 nan 0.000 0.527 541 I N 1.500 122.069 120.570 -0.003 0.000 2.312 541 I HA 0.570 4.739 4.170 -0.000 0.000 0.290 541 I C 1.099 177.210 176.117 -0.010 0.000 1.008 541 I CA -0.816 60.470 61.300 -0.023 0.000 1.226 541 I CB 0.809 38.744 38.000 -0.110 0.000 1.371 541 I HN 0.308 nan 8.210 nan 0.000 0.468 542 A N 6.080 128.916 122.820 0.027 0.000 3.051 542 A HA 0.472 4.792 4.320 -0.000 0.000 0.257 542 A C 1.004 178.623 177.584 0.059 0.000 1.785 542 A CA -0.318 51.741 52.037 0.036 0.000 1.420 542 A CB -0.791 18.232 19.000 0.038 0.000 1.063 542 A HN 0.776 nan 8.150 nan 0.000 0.630 543 A N 1.520 124.366 122.820 0.044 0.000 2.450 543 A HA 0.448 4.768 4.320 -0.000 0.000 0.255 543 A C 0.711 178.312 177.584 0.027 0.000 1.096 543 A CA -0.344 51.738 52.037 0.075 0.000 0.778 543 A CB 0.051 19.063 19.000 0.020 0.000 1.031 543 A HN 0.868 nan 8.150 nan 0.000 0.494 544 Q N 3.363 123.188 119.800 0.042 0.000 2.443 544 Q HA 0.461 4.801 4.340 -0.000 0.000 0.232 544 Q C -2.420 173.575 176.000 -0.008 0.000 1.026 544 Q CA -1.696 54.120 55.803 0.022 0.000 0.924 544 Q CB 0.231 28.993 28.738 0.039 0.000 1.256 544 Q HN 0.504 nan 8.270 nan 0.000 0.519 545 P HA -0.000 nan 4.420 nan 0.000 0.272 545 P C 0.012 177.317 177.300 0.009 0.000 1.223 545 P CA -0.090 62.996 63.100 -0.022 0.000 0.784 545 P CB 0.897 32.592 31.700 -0.008 0.000 0.923 546 L N 0.381 121.603 121.223 -0.002 0.000 2.307 546 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 546 L C 0.820 177.889 176.870 0.333 0.000 1.099 546 L CA 1.246 56.142 54.840 0.094 0.000 0.816 546 L CB -0.203 41.813 42.059 -0.073 0.000 0.952 546 L HN 0.464 nan 8.230 nan 0.000 0.455 547 Y N -1.664 118.703 120.300 0.112 0.000 2.952 547 Y HA 0.479 5.029 4.550 -0.000 0.000 0.346 547 Y C -0.781 175.175 175.900 0.093 0.000 1.388 547 Y CA -1.258 56.918 58.100 0.127 0.000 1.097 547 Y CB 0.482 39.074 38.460 0.220 0.000 1.732 547 Y HN -0.187 nan 8.280 nan 0.000 0.431 548 A N 1.470 123.846 122.820 -0.740 0.000 2.555 548 A HA 0.515 4.835 4.320 -0.000 0.000 0.233 548 A C 0.714 178.259 177.584 -0.065 0.000 1.060 548 A CA 1.502 53.291 52.037 -0.414 0.000 0.759 548 A CB -1.024 17.633 19.000 -0.572 0.000 0.995 548 A HN 2.048 nan 8.150 nan 0.000 0.506 549 G N -0.336 108.467 108.800 0.005 0.000 2.334 549 G HA2 0.528 4.488 3.960 -0.000 0.000 0.249 549 G HA3 0.528 4.488 3.960 -0.000 0.000 0.249 549 G C -0.824 174.191 174.900 0.193 0.000 1.327 549 G CA 0.214 45.383 45.100 0.115 0.000 0.979 549 G HN 2.319 nan 8.290 nan 0.000 0.471 550 Y N -2.665 117.594 120.300 -0.069 0.000 2.750 550 Y HA 0.723 5.273 4.550 -0.000 0.000 0.335 550 Y C -0.712 175.094 175.900 -0.157 0.000 1.252 550 Y CA -1.450 56.591 58.100 -0.098 0.000 1.064 550 Y CB 0.747 39.162 38.460 -0.075 0.000 1.321 550 Y HN 0.931 nan 8.280 nan 0.000 0.451 551 c N 1.826 120.244 118.600 -0.302 0.000 2.507 551 c HA 0.396 4.966 4.570 -0.000 0.000 0.319 551 c C -0.374 173.477 174.090 -0.399 0.000 1.208 551 c CA -0.883 55.150 56.329 -0.494 0.000 1.619 551 c CB 1.306 43.513 42.510 -0.504 0.000 2.230 551 c HN 0.781 nan 8.230 nan 0.000 0.492 552 N N 2.332 120.836 118.700 -0.327 0.000 2.892 552 N HA 0.001 4.741 4.740 -0.000 0.000 0.300 552 N C 1.202 176.656 175.510 -0.093 0.000 1.211 552 N CA 0.177 53.161 53.050 -0.111 0.000 1.158 552 N CB 0.005 38.431 38.487 -0.101 0.000 1.455 552 N HN 0.661 nan 8.380 nan 0.000 0.524 553 H N 0.953 120.034 119.070 0.019 0.000 2.252 553 H HA -0.174 4.382 4.556 -0.000 0.000 0.292 553 H C 1.225 176.548 175.328 -0.007 0.000 1.082 553 H CA 2.068 58.115 56.048 -0.002 0.000 1.229 553 H CB 0.388 30.157 29.762 0.012 0.000 1.353 553 H HN 0.695 nan 8.280 nan 0.000 0.488 554 E N 0.000 120.286 120.200 0.144 0.000 2.725 554 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 554 E CA 0.000 nan 56.400 nan 0.000 0.976 554 E CB 0.000 nan 29.700 nan 0.000 0.812 554 E HN 0.000 nan 8.360 nan 0.000 0.440