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 1we5_1_F DATA FIRST_RESID 2 DATA SEQUENCE KISDGNWLIQ PGLNLIHPLQ VFEVEQQDNE XVVYAAPRDV RERTWQLDTP DATA SEQUENCE LFTLRFFSPQ EGIVGVRIEH FQGALNNGPH YPLNILQDVK VTIENTERYA DATA SEQUENCE EFKSGNLSAR VSKGEFWSLD FLRNGERITG SQVKNNGYVQ DTNNQRNYXF DATA SEQUENCE ERLDLGVGET VYGLGERFTA LVRNGQTVET WNRDGGTSTE QAYKNIPFYX DATA SEQUENCE TNRGYGVLVN HPQCVSFEVG SEKVSKVQFS VESEYLEYFV IDGPTPKAVL DATA SEQUENCE DRYTRFTGRP ALPPAWSFGL WLTTSFTTNY DEATVNSFID GXAERNLPLH DATA SEQUENCE VFHFDCFWXK AFQWCDFEWD PLTFPDPEGX IRRLKAKGLK ICVWINPYIG DATA SEQUENCE QKSPVFKELQ EKGYLLKRPD GSLWQWDKWQ PGLAIYDFTN PDACKWYADK DATA SEQUENCE LKGLVAXGVD CFKTDFGERI PTDVQWFDGS DPQKXHNHYA YIYNELVWNV DATA SEQUENCE LKDTVGEEEA VLFARSASVG AQKFPVHWGG DCYANYESXA ESLRGGLSIG DATA SEQUENCE LSGFGFWSHD IGXXXXXAPA HVYKRWCAFG LLSSHSRLHG XXXXXXXXXX DATA SEQUENCE DDESCDVVRF FTQLKCRXXP YLYREAARAN ARGTPXXRAX XXEFPDDPAC DATA SEQUENCE DYLDRQYXLG DNVXVAPVFT EAGDVQFYLP EGRWTHLWHN DELDGSRWHK DATA SEQUENCE QQHGFLSLPV YVRDNTLLAL GNNDQRPDYV WHEGTAFHLF NLQDGHEAVC DATA SEQUENCE EVPAADGSVI FTLKAARTGN TITVTGAGEA KNWTLCLRNV VKVNGLQDGS DATA SEQUENCE QAESEQGLVV KPQGNALTIT L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.454 176.600 -0.244 0.000 0.988 2 K CA 0.000 56.172 56.287 -0.192 0.000 0.838 2 K CB 0.000 32.413 32.500 -0.144 0.000 1.064 3 I N -0.068 120.333 120.570 -0.281 0.000 3.132 3 I HA -0.025 4.146 4.170 0.002 0.000 0.255 3 I C 1.087 177.050 176.117 -0.256 0.000 1.118 3 I CA 0.293 61.386 61.300 -0.344 0.000 1.463 3 I CB 0.271 37.933 38.000 -0.563 0.000 1.356 3 I HN 0.578 nan 8.210 nan 0.000 0.463 4 S N 0.206 115.769 115.700 -0.228 0.000 2.669 4 S HA 0.227 4.698 4.470 0.002 0.000 0.270 4 S C -0.376 174.151 174.600 -0.121 0.000 1.225 4 S CA -0.473 57.632 58.200 -0.159 0.000 0.991 4 S CB 1.791 64.899 63.200 -0.153 0.000 0.987 4 S HN 0.210 nan 8.310 nan 0.000 0.552 5 D N -0.218 120.131 120.400 -0.085 0.000 2.443 5 D HA 0.487 5.128 4.640 0.002 0.000 0.281 5 D C 0.563 176.838 176.300 -0.041 0.000 1.210 5 D CA 0.780 54.746 54.000 -0.056 0.000 0.875 5 D CB 0.013 40.794 40.800 -0.033 0.000 1.125 5 D HN 1.127 nan 8.370 nan 0.000 0.503 6 G N 2.778 111.533 108.800 -0.074 0.000 2.782 6 G HA2 -0.297 3.664 3.960 0.002 0.000 0.228 6 G HA3 -0.297 3.664 3.960 0.002 0.000 0.228 6 G C 0.793 175.577 174.900 -0.194 0.000 1.372 6 G CA -0.403 44.638 45.100 -0.100 0.000 0.862 6 G HN 0.411 nan 8.290 nan 0.000 0.547 7 N N -0.373 118.087 118.700 -0.401 0.000 2.494 7 N HA -0.001 4.740 4.740 0.002 0.000 0.182 7 N C 1.594 176.768 175.510 -0.561 0.000 1.076 7 N CA 1.716 54.410 53.050 -0.594 0.000 0.908 7 N CB -0.110 37.840 38.487 -0.896 0.000 0.967 7 N HN 0.637 nan 8.380 nan 0.000 0.449 8 W N 0.321 121.605 121.300 -0.026 0.000 3.107 8 W HA 0.383 5.044 4.660 0.002 0.000 0.293 8 W C 0.410 176.914 176.519 -0.025 0.000 1.239 8 W CA -0.400 56.931 57.345 -0.022 0.000 1.653 8 W CB 0.369 29.817 29.460 -0.019 0.000 1.068 8 W HN -0.217 nan 8.180 nan 0.000 0.615 9 L N 0.530 121.837 121.223 0.139 0.000 2.303 9 L HA 0.556 4.897 4.340 0.002 0.000 0.256 9 L C -0.270 176.603 176.870 0.005 0.000 1.034 9 L CA -1.493 53.391 54.840 0.074 0.000 0.832 9 L CB 1.634 43.736 42.059 0.071 0.000 1.403 9 L HN -0.360 nan 8.230 nan 0.000 0.419 10 I N 0.487 121.052 120.570 -0.009 0.000 2.562 10 I HA 0.300 4.471 4.170 0.002 0.000 0.301 10 I C 0.033 176.116 176.117 -0.057 0.000 1.003 10 I CA -0.812 60.460 61.300 -0.047 0.000 1.127 10 I CB 1.564 39.539 38.000 -0.041 0.000 1.304 10 I HN 0.556 nan 8.210 nan 0.000 0.446 11 Q N 4.193 123.939 119.800 -0.089 0.000 2.349 11 Q HA 0.142 4.483 4.340 0.002 0.000 0.287 11 Q C -2.157 173.802 176.000 -0.068 0.000 1.044 11 Q CA -1.304 54.449 55.803 -0.084 0.000 0.918 11 Q CB -0.086 28.583 28.738 -0.115 0.000 1.242 11 Q HN 0.257 nan 8.270 nan 0.000 0.405 12 P HA -0.035 nan 4.420 nan 0.000 0.264 12 P C 0.565 177.837 177.300 -0.046 0.000 1.183 12 P CA 1.052 64.128 63.100 -0.041 0.000 0.763 12 P CB 0.317 31.997 31.700 -0.033 0.000 0.807 13 G N 1.742 110.519 108.800 -0.038 0.000 2.179 13 G HA2 -0.230 3.731 3.960 0.002 0.000 0.260 13 G HA3 -0.230 3.731 3.960 0.002 0.000 0.260 13 G C -0.177 174.695 174.900 -0.048 0.000 0.977 13 G CA -0.272 44.806 45.100 -0.037 0.000 0.641 13 G HN 0.466 nan 8.290 nan 0.000 0.533 14 L N 0.625 121.810 121.223 -0.063 0.000 2.309 14 L HA 0.541 4.882 4.340 0.002 0.000 0.282 14 L C -0.517 176.309 176.870 -0.073 0.000 1.036 14 L CA -1.086 53.704 54.840 -0.084 0.000 0.806 14 L CB 1.457 43.442 42.059 -0.123 0.000 1.220 14 L HN -0.026 nan 8.230 nan 0.000 0.429 15 N N 4.451 123.103 118.700 -0.079 0.000 2.407 15 N HA 0.598 5.339 4.740 0.002 0.000 0.277 15 N C -1.033 174.427 175.510 -0.084 0.000 0.995 15 N CA -0.367 52.646 53.050 -0.061 0.000 0.903 15 N CB 2.335 40.798 38.487 -0.039 0.000 1.218 15 N HN 0.412 nan 8.380 nan 0.000 0.487 16 L N 2.619 123.796 121.223 -0.077 0.000 2.346 16 L HA 0.691 5.032 4.340 0.002 0.000 0.274 16 L C 0.143 176.894 176.870 -0.198 0.000 1.007 16 L CA -1.103 53.654 54.840 -0.137 0.000 0.818 16 L CB 1.686 43.666 42.059 -0.131 0.000 1.284 16 L HN 0.416 nan 8.230 nan 0.000 0.424 17 I N -1.296 119.118 120.570 -0.261 0.000 2.686 17 I HA 0.642 4.813 4.170 0.002 0.000 0.295 17 I C -1.326 174.606 176.117 -0.308 0.000 1.114 17 I CA -0.625 60.580 61.300 -0.157 0.000 1.038 17 I CB 2.241 40.283 38.000 0.069 0.000 1.238 17 I HN 0.590 nan 8.210 nan 0.000 0.420 18 H N 2.956 122.061 119.070 0.058 0.000 2.894 18 H HA 0.538 5.095 4.556 0.002 0.000 0.368 18 H C -2.771 172.290 175.328 -0.444 0.000 1.181 18 H CA -2.310 53.560 56.048 -0.296 0.000 1.146 18 H CB 1.769 31.375 29.762 -0.259 0.000 1.839 18 H HN 0.396 nan 8.280 nan 0.000 0.557 19 P HA 0.103 nan 4.420 nan 0.000 0.273 19 P C 0.037 176.596 177.300 -1.234 0.000 1.428 19 P CA 0.261 62.800 63.100 -0.936 0.000 0.995 19 P CB 0.255 31.246 31.700 -1.183 0.000 1.286 20 L N 1.505 122.362 121.223 -0.610 0.000 2.513 20 L HA 0.214 4.555 4.340 0.002 0.000 0.222 20 L C 1.055 177.888 176.870 -0.061 0.000 1.096 20 L CA 0.540 55.164 54.840 -0.360 0.000 0.857 20 L CB 0.226 42.208 42.059 -0.129 0.000 1.026 20 L HN 0.336 nan 8.230 nan 0.000 0.469 21 Q N 0.370 120.177 119.800 0.012 0.000 2.295 21 Q HA 0.303 4.644 4.340 0.002 0.000 0.268 21 Q C -1.484 174.755 176.000 0.398 0.000 1.010 21 Q CA -0.410 55.562 55.803 0.281 0.000 0.856 21 Q CB 2.966 31.812 28.738 0.180 0.000 1.349 21 Q HN -0.169 nan 8.270 nan 0.000 0.412 22 V N 5.086 125.310 119.914 0.518 0.000 2.572 22 V HA 0.064 4.185 4.120 0.002 0.000 0.291 22 V C 0.363 176.690 176.094 0.389 0.000 1.039 22 V CA 0.635 63.220 62.300 0.475 0.000 1.055 22 V CB 0.615 32.642 31.823 0.339 0.000 0.969 22 V HN 0.843 nan 8.190 nan 0.000 0.482 23 F N 3.172 123.275 119.950 0.256 0.000 2.553 23 F HA 0.395 4.923 4.527 0.002 0.000 0.282 23 F C 0.850 176.759 175.800 0.182 0.000 1.089 23 F CA 0.440 58.557 58.000 0.195 0.000 1.411 23 F CB 0.586 39.694 39.000 0.180 0.000 1.125 23 F HN 0.550 nan 8.300 nan 0.000 0.610 24 E N 0.589 120.850 120.200 0.102 0.000 2.381 24 E HA 0.451 4.802 4.350 0.002 0.000 0.286 24 E C -2.054 174.695 176.600 0.249 0.000 0.960 24 E CA -0.619 55.786 56.400 0.008 0.000 0.793 24 E CB 2.240 31.872 29.700 -0.114 0.000 1.225 24 E HN -0.137 nan 8.360 nan 0.000 0.420 25 V N 3.239 123.242 119.914 0.149 0.000 2.417 25 V HA 0.502 4.623 4.120 0.002 0.000 0.291 25 V C -0.235 175.950 176.094 0.152 0.000 1.024 25 V CA -0.593 61.803 62.300 0.160 0.000 0.861 25 V CB 1.535 33.420 31.823 0.103 0.000 0.985 25 V HN 0.695 nan 8.190 nan 0.000 0.436 26 E N 2.955 123.261 120.200 0.177 0.000 2.336 26 E HA 0.544 4.895 4.350 0.002 0.000 0.267 26 E C -1.289 175.390 176.600 0.131 0.000 0.906 26 E CA -0.758 55.739 56.400 0.162 0.000 0.781 26 E CB 2.417 32.265 29.700 0.246 0.000 1.261 26 E HN 0.715 nan 8.360 nan 0.000 0.436 27 Q N 2.497 122.364 119.800 0.113 0.000 2.327 27 Q HA 0.244 4.585 4.340 0.002 0.000 0.270 27 Q C -1.433 174.626 176.000 0.098 0.000 1.022 27 Q CA -0.440 55.430 55.803 0.111 0.000 0.773 27 Q CB 1.476 30.273 28.738 0.098 0.000 1.251 27 Q HN 0.476 nan 8.270 nan 0.000 0.457 28 Q N 4.398 124.257 119.800 0.099 0.000 2.571 28 Q HA 0.188 4.529 4.340 0.002 0.000 0.243 28 Q C -0.741 175.308 176.000 0.081 0.000 1.055 28 Q CA -0.414 55.435 55.803 0.077 0.000 0.815 28 Q CB 0.912 29.686 28.738 0.060 0.000 1.151 28 Q HN 0.813 nan 8.270 nan 0.000 0.519 29 D N 0.802 121.249 120.400 0.078 0.000 4.230 29 D HA -0.290 4.351 4.640 0.002 0.000 0.138 29 D C 0.420 176.787 176.300 0.113 0.000 0.772 29 D CA 1.382 55.429 54.000 0.078 0.000 1.136 29 D CB -0.529 40.309 40.800 0.064 0.000 0.547 29 D HN 0.454 nan 8.370 nan 0.000 0.537 30 N N 2.456 121.235 118.700 0.132 0.000 2.398 30 N HA 0.075 4.816 4.740 0.002 0.000 0.188 30 N C -0.284 175.427 175.510 0.335 0.000 1.122 30 N CA 0.741 53.910 53.050 0.198 0.000 0.866 30 N CB 0.377 38.968 38.487 0.173 0.000 0.970 30 N HN 0.266 nan 8.380 nan 0.000 0.462 34 V N 4.915 124.816 119.914 -0.021 0.000 2.487 34 V HA 0.565 4.686 4.120 0.002 0.000 0.298 34 V C -1.187 174.910 176.094 0.005 0.000 1.028 34 V CA -0.711 61.655 62.300 0.110 0.000 0.860 34 V CB 1.946 33.960 31.823 0.318 0.000 0.991 34 V HN 0.765 nan 8.190 nan 0.000 0.427 35 Y N 2.966 123.440 120.300 0.289 0.000 2.335 35 Y HA 0.734 5.285 4.550 0.002 0.000 0.339 35 Y C 0.469 176.585 175.900 0.360 0.000 0.987 35 Y CA -0.401 57.881 58.100 0.304 0.000 1.140 35 Y CB 1.774 40.435 38.460 0.335 0.000 1.173 35 Y HN 0.718 nan 8.280 nan 0.000 0.486 36 A N 2.236 125.311 122.820 0.426 0.000 2.365 36 A HA 0.902 5.223 4.320 0.002 0.000 0.318 36 A C -0.864 176.857 177.584 0.228 0.000 1.091 36 A CA -0.699 51.529 52.037 0.318 0.000 0.763 36 A CB 0.816 19.875 19.000 0.099 0.000 1.248 36 A HN 0.787 nan 8.150 nan 0.000 0.442 37 A N 2.737 125.655 122.820 0.164 0.000 2.303 37 A HA 0.771 5.092 4.320 0.002 0.000 0.317 37 A C -1.838 175.783 177.584 0.061 0.000 1.149 37 A CA -1.690 50.402 52.037 0.092 0.000 0.822 37 A CB 0.524 19.556 19.000 0.054 0.000 1.131 37 A HN 0.566 nan 8.150 nan 0.000 0.493 38 P HA 0.047 nan 4.420 nan 0.000 0.249 38 P C -0.024 177.282 177.300 0.009 0.000 1.229 38 P CA 0.541 63.687 63.100 0.075 0.000 0.788 38 P CB 0.018 31.789 31.700 0.118 0.000 1.072 39 R N -2.191 118.300 120.500 -0.016 0.000 2.762 39 R HA 0.444 4.785 4.340 0.002 0.000 0.271 39 R C -1.324 174.947 176.300 -0.048 0.000 1.038 39 R CA -0.854 55.210 56.100 -0.060 0.000 0.906 39 R CB -0.324 29.909 30.300 -0.112 0.000 1.259 39 R HN -0.374 nan 8.270 nan 0.000 0.457 40 D N 1.019 121.357 120.400 -0.103 0.000 2.417 40 D HA 0.152 4.793 4.640 0.002 0.000 0.250 40 D C 0.220 176.562 176.300 0.070 0.000 1.166 40 D CA 0.005 53.990 54.000 -0.026 0.000 0.881 40 D CB 1.499 42.239 40.800 -0.101 0.000 1.164 40 D HN 0.498 nan 8.370 nan 0.000 0.467 41 V N 1.699 121.754 119.914 0.234 0.000 2.841 41 V HA 0.374 4.495 4.120 0.002 0.000 0.363 41 V C 1.309 177.627 176.094 0.374 0.000 1.330 41 V CA -0.519 61.970 62.300 0.315 0.000 1.207 41 V CB 0.079 31.971 31.823 0.115 0.000 1.318 41 V HN 0.381 nan 8.190 nan 0.000 0.603 42 R N 0.652 121.405 120.500 0.422 0.000 2.119 42 R HA 0.204 4.546 4.340 0.002 0.000 0.222 42 R C 0.498 176.867 176.300 0.116 0.000 1.088 42 R CA 0.793 57.050 56.100 0.262 0.000 0.984 42 R CB 0.269 30.701 30.300 0.220 0.000 0.884 42 R HN 0.645 nan 8.270 nan 0.000 0.447 43 E N 0.675 120.858 120.200 -0.028 0.000 2.229 43 E HA 0.089 4.440 4.350 0.002 0.000 0.283 43 E C 0.395 176.879 176.600 -0.193 0.000 1.030 43 E CA -0.238 55.933 56.400 -0.381 0.000 0.836 43 E CB 1.174 30.145 29.700 -1.215 0.000 1.068 43 E HN 0.103 nan 8.360 nan 0.000 0.401 44 R N 0.882 121.311 120.500 -0.119 0.000 2.133 44 R HA -0.181 4.160 4.340 0.002 0.000 0.247 44 R C 2.131 178.406 176.300 -0.041 0.000 1.151 44 R CA 2.112 58.191 56.100 -0.036 0.000 0.971 44 R CB -0.503 29.777 30.300 -0.032 0.000 0.866 44 R HN 0.619 nan 8.270 nan 0.000 0.447 45 T N -2.700 111.769 114.554 -0.142 0.000 3.098 45 T HA -0.106 4.245 4.350 0.002 0.000 0.266 45 T C 1.060 175.824 174.700 0.107 0.000 1.145 45 T CA 0.548 62.604 62.100 -0.073 0.000 1.092 45 T CB -0.062 68.720 68.868 -0.143 0.000 0.908 45 T HN 0.332 nan 8.240 nan 0.000 0.526 46 W N 1.318 122.615 121.300 -0.004 0.000 3.177 46 W HA 0.408 5.069 4.660 0.002 0.000 0.309 46 W C 1.078 177.572 176.519 -0.041 0.000 1.224 46 W CA -1.070 56.266 57.345 -0.015 0.000 1.718 46 W CB -0.385 29.073 29.460 -0.003 0.000 1.078 46 W HN 0.364 nan 8.180 nan 0.000 0.618 47 Q N 1.453 121.346 119.800 0.154 0.000 2.903 47 Q HA 0.219 4.560 4.340 0.002 0.000 0.295 47 Q C -0.532 175.450 176.000 -0.028 0.000 1.157 47 Q CA 0.321 56.130 55.803 0.009 0.000 0.930 47 Q CB -0.795 27.938 28.738 -0.009 0.000 1.571 47 Q HN 0.089 nan 8.270 nan 0.000 0.440 48 L N -5.405 115.819 121.223 0.001 0.000 2.940 48 L HA 0.511 4.852 4.340 0.002 0.000 0.270 48 L C -0.728 176.140 176.870 -0.003 0.000 1.030 48 L CA -1.063 53.769 54.840 -0.013 0.000 0.928 48 L CB 1.034 43.096 42.059 0.005 0.000 1.506 48 L HN -0.155 nan 8.230 nan 0.000 0.405 49 D N -0.509 119.884 120.400 -0.012 0.000 2.746 49 D HA -0.129 4.512 4.640 0.002 0.000 0.236 49 D C -0.301 175.986 176.300 -0.021 0.000 1.129 49 D CA 1.851 55.845 54.000 -0.009 0.000 0.691 49 D CB -0.663 40.140 40.800 0.005 0.000 1.077 49 D HN 1.160 nan 8.370 nan 0.000 0.432 50 T N -1.540 112.993 114.554 -0.035 0.000 2.932 50 T HA 0.595 4.946 4.350 0.002 0.000 0.318 50 T C -2.668 171.996 174.700 -0.060 0.000 1.265 50 T CA -1.173 60.899 62.100 -0.047 0.000 1.036 50 T CB 1.740 70.573 68.868 -0.058 0.000 1.209 50 T HN -0.210 nan 8.240 nan 0.000 0.484 51 P HA 0.662 nan 4.420 nan 0.000 0.275 51 P C -1.504 175.702 177.300 -0.157 0.000 1.266 51 P CA -0.725 62.303 63.100 -0.119 0.000 0.793 51 P CB 0.448 32.048 31.700 -0.167 0.000 1.074 52 L N 0.256 121.347 121.223 -0.220 0.000 2.493 52 L HA 0.499 4.840 4.340 0.002 0.000 0.265 52 L C -1.572 175.178 176.870 -0.201 0.000 0.954 52 L CA -0.382 54.382 54.840 -0.126 0.000 0.844 52 L CB 1.068 43.105 42.059 -0.037 0.000 1.302 52 L HN 0.131 nan 8.230 nan 0.000 0.405 53 F N 2.028 122.006 119.950 0.046 0.000 2.385 53 F HA 0.608 5.136 4.527 0.002 0.000 0.336 53 F C 0.600 176.447 175.800 0.079 0.000 1.100 53 F CA -0.139 57.883 58.000 0.036 0.000 1.116 53 F CB 1.937 40.920 39.000 -0.027 0.000 1.166 53 F HN 0.365 nan 8.300 nan 0.000 0.511 54 T N 4.933 119.607 114.554 0.201 0.000 2.842 54 T HA 0.515 4.866 4.350 0.002 0.000 0.308 54 T C -0.700 173.987 174.700 -0.021 0.000 1.041 54 T CA -0.487 61.624 62.100 0.017 0.000 0.964 54 T CB 0.294 69.165 68.868 0.006 0.000 0.972 54 T HN 0.142 nan 8.240 nan 0.000 0.460 55 L N 3.515 124.698 121.223 -0.067 0.000 2.265 55 L HA 0.552 4.893 4.340 0.002 0.000 0.289 55 L C 0.422 177.121 176.870 -0.286 0.000 1.033 55 L CA -0.395 54.351 54.840 -0.157 0.000 0.814 55 L CB 1.064 43.099 42.059 -0.040 0.000 1.203 55 L HN 0.416 nan 8.230 nan 0.000 0.423 56 R N 3.121 123.400 120.500 -0.368 0.000 2.387 56 R HA 0.576 4.917 4.340 0.002 0.000 0.314 56 R C -1.499 174.568 176.300 -0.389 0.000 0.958 56 R CA -0.454 55.481 56.100 -0.276 0.000 0.846 56 R CB 0.719 30.902 30.300 -0.196 0.000 1.147 56 R HN 0.335 nan 8.270 nan 0.000 0.447 57 F N 6.250 126.117 119.950 -0.138 0.000 2.427 57 F HA 0.470 4.998 4.527 0.002 0.000 0.346 57 F C -0.334 175.083 175.800 -0.638 0.000 1.120 57 F CA -0.499 57.258 58.000 -0.404 0.000 1.033 57 F CB 1.203 39.849 39.000 -0.591 0.000 1.126 57 F HN 0.431 nan 8.300 nan 0.000 0.462 58 F N -0.105 119.481 119.950 -0.607 0.000 2.715 58 F HA 0.776 5.304 4.527 0.002 0.000 0.318 58 F C -0.973 174.843 175.800 0.027 0.000 1.141 58 F CA -1.833 55.965 58.000 -0.338 0.000 0.950 58 F CB 1.518 40.475 39.000 -0.071 0.000 1.374 58 F HN 0.209 nan 8.300 nan 0.000 0.477 59 S N 1.543 117.424 115.700 0.301 0.000 2.707 59 S HA 0.534 5.005 4.470 0.002 0.000 0.303 59 S C -2.247 172.430 174.600 0.128 0.000 1.132 59 S CA -1.347 56.958 58.200 0.174 0.000 1.046 59 S CB 1.553 64.945 63.200 0.319 0.000 1.004 59 S HN 0.606 nan 8.310 nan 0.000 0.483 60 P HA 0.155 nan 4.420 nan 0.000 0.234 60 P C -0.369 176.847 177.300 -0.140 0.000 1.175 60 P CA 0.510 63.592 63.100 -0.032 0.000 0.801 60 P CB 0.367 32.000 31.700 -0.113 0.000 0.891 61 Q N -0.672 118.981 119.800 -0.245 0.000 2.462 61 Q HA 0.200 4.541 4.340 0.002 0.000 0.285 61 Q C -0.518 175.396 176.000 -0.144 0.000 1.035 61 Q CA -0.672 55.010 55.803 -0.202 0.000 0.799 61 Q CB 1.805 30.355 28.738 -0.313 0.000 1.452 61 Q HN -0.004 nan 8.270 nan 0.000 0.404 62 E N 0.148 120.291 120.200 -0.096 0.000 2.415 62 E HA 0.151 4.502 4.350 0.002 0.000 0.263 62 E C 0.554 177.109 176.600 -0.075 0.000 0.995 62 E CA 1.497 57.856 56.400 -0.068 0.000 0.915 62 E CB 0.274 29.941 29.700 -0.054 0.000 0.951 62 E HN 0.801 nan 8.360 nan 0.000 0.449 63 G N 4.248 113.018 108.800 -0.051 0.000 2.179 63 G HA2 -0.248 3.713 3.960 0.002 0.000 0.260 63 G HA3 -0.248 3.713 3.960 0.002 0.000 0.260 63 G C 0.324 175.202 174.900 -0.037 0.000 0.977 63 G CA 0.319 45.399 45.100 -0.034 0.000 0.641 63 G HN 0.521 nan 8.290 nan 0.000 0.533 64 I N 1.052 121.571 120.570 -0.084 0.000 2.389 64 I HA 0.492 4.663 4.170 0.002 0.000 0.288 64 I C -0.139 175.962 176.117 -0.027 0.000 0.999 64 I CA -1.093 60.135 61.300 -0.119 0.000 1.129 64 I CB 2.081 39.830 38.000 -0.417 0.000 1.288 64 I HN -0.127 nan 8.210 nan 0.000 0.444 65 V N 5.395 125.351 119.914 0.069 0.000 2.384 65 V HA 0.541 4.662 4.120 0.002 0.000 0.287 65 V C 0.592 176.688 176.094 0.003 0.000 1.020 65 V CA -0.519 61.852 62.300 0.117 0.000 0.850 65 V CB 1.534 33.532 31.823 0.293 0.000 0.987 65 V HN 0.874 nan 8.190 nan 0.000 0.436 66 G N 3.432 112.025 108.800 -0.345 0.000 2.367 66 G HA2 0.601 4.562 3.960 0.002 0.000 0.314 66 G HA3 0.601 4.562 3.960 0.002 0.000 0.314 66 G C -0.994 173.480 174.900 -0.710 0.000 1.130 66 G CA -0.392 44.225 45.100 -0.806 0.000 0.864 66 G HN 0.564 nan 8.290 nan 0.000 0.486 67 V N 2.210 121.695 119.914 -0.716 0.000 2.483 67 V HA 0.541 4.662 4.120 0.002 0.000 0.297 67 V C -0.015 175.777 176.094 -0.504 0.000 1.027 67 V CA -0.903 60.987 62.300 -0.682 0.000 0.855 67 V CB 1.666 32.999 31.823 -0.816 0.000 0.995 67 V HN 0.808 nan 8.190 nan 0.000 0.424 68 R N 5.106 125.427 120.500 -0.299 0.000 2.409 68 R HA 0.652 4.993 4.340 0.002 0.000 0.313 68 R C -1.430 174.822 176.300 -0.080 0.000 0.953 68 R CA -0.553 55.495 56.100 -0.085 0.000 0.849 68 R CB 1.183 31.466 30.300 -0.028 0.000 1.171 68 R HN 0.739 nan 8.270 nan 0.000 0.458 69 I N 4.185 124.790 120.570 0.057 0.000 2.330 69 I HA 0.277 4.449 4.170 0.002 0.000 0.289 69 I C -0.192 176.066 176.117 0.235 0.000 1.001 69 I CA -0.454 60.913 61.300 0.110 0.000 1.193 69 I CB 1.691 39.755 38.000 0.108 0.000 1.345 69 I HN 0.480 nan 8.210 nan 0.000 0.461 70 E N 3.921 124.252 120.200 0.218 0.000 2.212 70 E HA 0.292 4.643 4.350 0.002 0.000 0.268 70 E C -0.368 176.329 176.600 0.161 0.000 0.902 70 E CA -0.577 55.955 56.400 0.221 0.000 0.779 70 E CB 2.634 32.406 29.700 0.119 0.000 1.172 70 E HN 0.541 nan 8.360 nan 0.000 0.409 71 H N 2.416 121.447 119.070 -0.065 0.000 2.343 71 H HA 0.275 4.832 4.556 0.002 0.000 0.322 71 H C -0.448 174.749 175.328 -0.219 0.000 1.194 71 H CA 0.509 56.285 56.048 -0.453 0.000 1.780 71 H CB 0.284 29.515 29.762 -0.884 0.000 1.521 71 H HN 0.319 nan 8.280 nan 0.000 0.638 72 F N 1.594 121.313 119.950 -0.384 0.000 2.404 72 F HA 0.342 4.871 4.527 0.002 0.000 0.339 72 F C 1.122 176.866 175.800 -0.094 0.000 1.105 72 F CA -0.518 57.288 58.000 -0.323 0.000 1.087 72 F CB 1.782 40.623 39.000 -0.266 0.000 1.143 72 F HN 0.440 nan 8.300 nan 0.000 0.491 73 Q N 1.520 121.381 119.800 0.103 0.000 2.396 73 Q HA 0.119 4.460 4.340 0.002 0.000 0.209 73 Q C 1.946 177.961 176.000 0.025 0.000 0.906 73 Q CA 0.434 56.264 55.803 0.044 0.000 0.927 73 Q CB 0.355 29.090 28.738 -0.005 0.000 1.069 73 Q HN 1.006 nan 8.270 nan 0.000 0.523 74 G N 1.110 109.906 108.800 -0.006 0.000 2.708 74 G HA2 0.071 4.033 3.960 0.002 0.000 0.210 74 G HA3 0.071 4.033 3.960 0.002 0.000 0.210 74 G C 0.531 175.440 174.900 0.015 0.000 1.141 74 G CA 0.416 45.495 45.100 -0.036 0.000 0.788 74 G HN 0.331 nan 8.290 nan 0.000 0.531 75 A N -0.282 122.587 122.820 0.081 0.000 2.425 75 A HA 0.489 4.810 4.320 0.002 0.000 0.242 75 A C 1.540 179.179 177.584 0.091 0.000 1.077 75 A CA -0.436 51.668 52.037 0.112 0.000 0.781 75 A CB 0.447 19.558 19.000 0.184 0.000 1.020 75 A HN 0.192 nan 8.150 nan 0.000 0.494 76 L N 0.950 122.226 121.223 0.089 0.000 2.042 76 L HA -0.205 4.136 4.340 0.002 0.000 0.210 76 L C 0.712 177.645 176.870 0.104 0.000 1.076 76 L CA 1.593 56.481 54.840 0.080 0.000 0.749 76 L CB -0.794 41.309 42.059 0.075 0.000 0.893 76 L HN 0.932 nan 8.230 nan 0.000 0.432 77 N N 0.839 119.629 118.700 0.150 0.000 2.688 77 N HA -0.215 4.526 4.740 0.002 0.000 0.258 77 N C -0.039 175.589 175.510 0.196 0.000 1.016 77 N CA 0.123 53.299 53.050 0.209 0.000 0.747 77 N CB -0.975 37.633 38.487 0.201 0.000 0.895 77 N HN 0.512 nan 8.380 nan 0.000 0.543 78 N N -0.026 118.758 118.700 0.140 0.000 2.607 78 N HA 0.500 5.241 4.740 0.002 0.000 0.284 78 N C 0.990 176.488 175.510 -0.019 0.000 1.365 78 N CA -0.174 52.924 53.050 0.080 0.000 0.862 78 N CB 0.138 38.662 38.487 0.062 0.000 1.107 78 N HN 0.336 nan 8.380 nan 0.000 0.463 79 G N 0.806 109.570 108.800 -0.060 0.000 2.914 79 G HA2 -0.204 3.757 3.960 0.002 0.000 0.254 79 G HA3 -0.204 3.757 3.960 0.002 0.000 0.254 79 G C -2.616 172.039 174.900 -0.407 0.000 1.449 79 G CA -0.749 44.261 45.100 -0.150 0.000 0.925 79 G HN 0.395 nan 8.290 nan 0.000 0.555 80 P HA 0.337 nan 4.420 nan 0.000 0.276 80 P C -0.661 176.195 177.300 -0.740 0.000 1.244 80 P CA -0.095 62.675 63.100 -0.550 0.000 0.801 80 P CB 0.856 32.308 31.700 -0.414 0.000 1.006 81 H N -0.372 118.502 119.070 -0.327 0.000 2.731 81 H HA 0.285 4.842 4.556 0.002 0.000 0.368 81 H C 0.004 175.131 175.328 -0.334 0.000 1.168 81 H CA -0.541 55.329 56.048 -0.297 0.000 1.181 81 H CB 0.525 30.205 29.762 -0.137 0.000 1.743 81 H HN 0.433 nan 8.280 nan 0.000 0.547 82 Y N 1.906 122.136 120.300 -0.118 0.000 2.683 82 Y HA -0.007 4.544 4.550 0.002 0.000 0.340 82 Y C -1.272 174.492 175.900 -0.227 0.000 1.245 82 Y CA -1.412 56.565 58.100 -0.205 0.000 1.485 82 Y CB 0.468 38.844 38.460 -0.140 0.000 1.328 82 Y HN 0.340 nan 8.280 nan 0.000 0.603 83 P HA 0.099 nan 4.420 nan 0.000 0.230 83 P C -0.969 176.185 177.300 -0.244 0.000 1.791 83 P CA 0.347 63.338 63.100 -0.181 0.000 1.020 83 P CB -0.440 31.089 31.700 -0.286 0.000 1.977 84 L N 1.864 122.942 121.223 -0.242 0.000 2.375 84 L HA 0.327 4.668 4.340 0.002 0.000 0.271 84 L C 0.887 177.645 176.870 -0.186 0.000 1.107 84 L CA -0.564 54.026 54.840 -0.417 0.000 0.806 84 L CB 0.397 42.139 42.059 -0.528 0.000 1.146 84 L HN 0.087 nan 8.230 nan 0.000 0.447 85 N N 3.948 122.570 118.700 -0.129 0.000 2.500 85 N HA 0.396 5.137 4.740 0.002 0.000 0.236 85 N C -0.657 174.932 175.510 0.131 0.000 1.022 85 N CA -0.045 53.012 53.050 0.010 0.000 0.935 85 N CB 1.191 39.679 38.487 0.002 0.000 1.147 85 N HN 0.436 nan 8.380 nan 0.000 0.512 86 I N 2.985 123.620 120.570 0.108 0.000 2.339 86 I HA 0.302 4.473 4.170 0.002 0.000 0.290 86 I C 0.277 176.449 176.117 0.091 0.000 0.994 86 I CA -0.635 60.751 61.300 0.144 0.000 1.191 86 I CB 1.238 39.338 38.000 0.167 0.000 1.343 86 I HN 0.133 nan 8.210 nan 0.000 0.458 87 L N 5.775 127.044 121.223 0.077 0.000 2.379 87 L HA 0.310 4.651 4.340 0.002 0.000 0.269 87 L C 0.975 177.891 176.870 0.076 0.000 1.084 87 L CA -0.555 54.318 54.840 0.056 0.000 0.802 87 L CB 1.265 43.342 42.059 0.030 0.000 1.175 87 L HN 0.604 nan 8.230 nan 0.000 0.448 88 Q N 0.839 120.676 119.800 0.062 0.000 2.373 88 Q HA -0.010 4.331 4.340 0.002 0.000 0.210 88 Q C 0.343 176.382 176.000 0.065 0.000 0.913 88 Q CA 0.511 56.355 55.803 0.068 0.000 0.911 88 Q CB 0.230 28.998 28.738 0.050 0.000 1.040 88 Q HN 0.754 nan 8.270 nan 0.000 0.521 89 D N -0.189 120.240 120.400 0.048 0.000 2.491 89 D HA 0.081 4.722 4.640 0.002 0.000 0.228 89 D C 0.086 176.405 176.300 0.033 0.000 1.183 89 D CA -0.359 53.665 54.000 0.039 0.000 0.827 89 D CB -0.117 40.698 40.800 0.025 0.000 0.989 89 D HN -0.237 nan 8.370 nan 0.000 0.494 90 V N 0.567 120.508 119.914 0.045 0.000 2.585 90 V HA -0.001 4.120 4.120 0.002 0.000 0.296 90 V C 0.798 176.903 176.094 0.017 0.000 1.035 90 V CA -0.276 62.041 62.300 0.029 0.000 1.084 90 V CB 0.350 32.199 31.823 0.044 0.000 0.953 90 V HN 0.024 nan 8.190 nan 0.000 0.483 91 K N 4.458 124.850 120.400 -0.012 0.000 2.383 91 K HA 0.447 4.768 4.320 0.002 0.000 0.286 91 K C -0.467 176.085 176.600 -0.080 0.000 1.051 91 K CA 0.109 56.374 56.287 -0.036 0.000 0.974 91 K CB 0.724 33.201 32.500 -0.038 0.000 0.968 91 K HN 0.673 nan 8.250 nan 0.000 0.475 92 V N -0.316 119.527 119.914 -0.118 0.000 3.159 92 V HA 0.782 4.903 4.120 0.002 0.000 0.308 92 V C -0.767 175.175 176.094 -0.253 0.000 1.190 92 V CA -0.871 61.271 62.300 -0.263 0.000 1.037 92 V CB 2.018 33.563 31.823 -0.463 0.000 1.060 92 V HN 0.765 nan 8.190 nan 0.000 0.437 93 T N -0.023 114.328 114.554 -0.338 0.000 2.861 93 T HA 0.813 5.164 4.350 0.002 0.000 0.287 93 T C -0.759 173.787 174.700 -0.256 0.000 1.003 93 T CA -0.470 61.495 62.100 -0.225 0.000 0.977 93 T CB 1.361 70.134 68.868 -0.159 0.000 0.996 93 T HN 0.821 nan 8.240 nan 0.000 0.448 94 I N 2.294 122.790 120.570 -0.124 0.000 2.410 94 I HA 0.393 4.564 4.170 0.002 0.000 0.286 94 I C -0.214 175.891 176.117 -0.020 0.000 1.009 94 I CA -0.723 60.551 61.300 -0.043 0.000 1.111 94 I CB 1.828 39.869 38.000 0.069 0.000 1.262 94 I HN 0.683 nan 8.210 nan 0.000 0.443 95 E N 4.725 124.911 120.200 -0.023 0.000 2.145 95 E HA 0.238 4.589 4.350 0.002 0.000 0.262 95 E C -0.820 175.786 176.600 0.010 0.000 0.883 95 E CA -0.622 55.772 56.400 -0.010 0.000 0.748 95 E CB 1.586 31.273 29.700 -0.022 0.000 1.140 95 E HN 0.355 nan 8.360 nan 0.000 0.417 96 N N 2.925 121.637 118.700 0.019 0.000 2.609 96 N HA 0.115 4.856 4.740 0.002 0.000 0.234 96 N C -0.882 174.639 175.510 0.018 0.000 1.001 96 N CA -0.208 52.858 53.050 0.025 0.000 0.926 96 N CB 0.731 39.238 38.487 0.033 0.000 1.130 96 N HN 0.467 nan 8.380 nan 0.000 0.510 97 T N -0.219 114.348 114.554 0.021 0.000 2.889 97 T HA 0.333 4.684 4.350 0.002 0.000 0.278 97 T C 1.082 175.766 174.700 -0.027 0.000 0.995 97 T CA -0.395 61.706 62.100 0.003 0.000 0.966 97 T CB 1.052 69.930 68.868 0.018 0.000 1.237 97 T HN 0.266 nan 8.240 nan 0.000 0.591 98 E N -0.042 120.128 120.200 -0.050 0.000 2.077 98 E HA -0.078 4.273 4.350 0.002 0.000 0.193 98 E C 2.172 178.697 176.600 -0.124 0.000 0.989 98 E CA 1.468 57.826 56.400 -0.069 0.000 0.800 98 E CB 0.002 29.663 29.700 -0.065 0.000 0.746 98 E HN 0.601 nan 8.360 nan 0.000 0.452 99 R N -1.860 118.499 120.500 -0.235 0.000 2.282 99 R HA 0.183 4.524 4.340 0.002 0.000 0.195 99 R C 0.021 175.973 176.300 -0.581 0.000 0.909 99 R CA 0.160 55.981 56.100 -0.465 0.000 1.039 99 R CB 0.614 30.470 30.300 -0.740 0.000 1.015 99 R HN 0.159 nan 8.270 nan 0.000 0.513 100 Y N -0.887 119.381 120.300 -0.054 0.000 2.669 100 Y HA 0.629 5.180 4.550 0.002 0.000 0.335 100 Y C -0.627 175.221 175.900 -0.087 0.000 1.116 100 Y CA -1.583 56.462 58.100 -0.091 0.000 1.081 100 Y CB 1.955 40.351 38.460 -0.107 0.000 1.297 100 Y HN -0.201 nan 8.280 nan 0.000 0.484 101 A N 1.520 124.385 122.820 0.075 0.000 2.569 101 A HA 0.498 4.819 4.320 0.002 0.000 0.282 101 A C -1.400 176.112 177.584 -0.120 0.000 1.165 101 A CA -0.448 51.578 52.037 -0.018 0.000 0.747 101 A CB 0.841 19.823 19.000 -0.029 0.000 1.215 101 A HN 0.709 nan 8.150 nan 0.000 0.431 102 E N 1.875 122.018 120.200 -0.094 0.000 2.183 102 E HA 0.659 5.010 4.350 0.002 0.000 0.271 102 E C -1.716 174.837 176.600 -0.080 0.000 0.919 102 E CA -0.562 55.746 56.400 -0.154 0.000 0.781 102 E CB 1.332 30.939 29.700 -0.155 0.000 1.140 102 E HN 0.530 nan 8.360 nan 0.000 0.402 103 F N 3.842 123.632 119.950 -0.267 0.000 2.507 103 F HA 0.505 5.033 4.527 0.002 0.000 0.325 103 F C -1.030 174.700 175.800 -0.116 0.000 1.116 103 F CA -0.630 57.272 58.000 -0.163 0.000 0.930 103 F CB 1.231 40.130 39.000 -0.169 0.000 1.146 103 F HN 0.295 nan 8.300 nan 0.000 0.447 104 K N 3.872 123.911 120.400 -0.602 0.000 2.468 104 K HA 0.580 4.901 4.320 0.002 0.000 0.252 104 K C -1.715 174.635 176.600 -0.416 0.000 0.932 104 K CA -0.685 55.391 56.287 -0.351 0.000 0.794 104 K CB 1.962 34.328 32.500 -0.223 0.000 1.241 104 K HN 0.590 nan 8.250 nan 0.000 0.428 105 S N 2.645 118.240 115.700 -0.174 0.000 2.733 105 S HA 0.634 5.105 4.470 0.002 0.000 0.294 105 S C 0.120 174.683 174.600 -0.062 0.000 1.149 105 S CA 0.528 58.661 58.200 -0.111 0.000 1.034 105 S CB 0.831 64.032 63.200 0.002 0.000 1.015 105 S HN 1.073 nan 8.310 nan 0.000 0.486 106 G N 5.184 113.942 108.800 -0.069 0.000 2.556 106 G HA2 -0.292 3.669 3.960 0.002 0.000 0.283 106 G HA3 -0.292 3.669 3.960 0.002 0.000 0.283 106 G C 0.368 175.240 174.900 -0.047 0.000 1.177 106 G CA 0.387 45.458 45.100 -0.050 0.000 0.978 106 G HN 0.702 nan 8.290 nan 0.000 0.554 107 N N 0.328 119.010 118.700 -0.030 0.000 2.280 107 N HA 0.189 4.930 4.740 0.002 0.000 0.192 107 N C 0.287 175.787 175.510 -0.016 0.000 1.109 107 N CA 0.236 53.270 53.050 -0.027 0.000 0.855 107 N CB 0.672 39.149 38.487 -0.018 0.000 0.974 107 N HN 0.432 nan 8.380 nan 0.000 0.482 108 L N 1.420 122.641 121.223 -0.003 0.000 2.282 108 L HA 0.368 4.709 4.340 0.002 0.000 0.288 108 L C 0.005 176.899 176.870 0.039 0.000 1.033 108 L CA -0.366 54.493 54.840 0.032 0.000 0.807 108 L CB 1.290 43.386 42.059 0.061 0.000 1.209 108 L HN -0.009 nan 8.230 nan 0.000 0.423 109 S N 3.694 119.417 115.700 0.038 0.000 2.599 109 S HA 0.965 5.436 4.470 0.002 0.000 0.287 109 S C -0.748 173.855 174.600 0.005 0.000 1.105 109 S CA -0.435 57.771 58.200 0.010 0.000 0.899 109 S CB 1.774 64.923 63.200 -0.084 0.000 1.100 109 S HN 1.017 nan 8.310 nan 0.000 0.482 110 A N 1.594 124.367 122.820 -0.077 0.000 2.304 110 A HA 0.789 5.110 4.320 0.002 0.000 0.314 110 A C -0.257 177.028 177.584 -0.499 0.000 1.187 110 A CA -0.765 51.058 52.037 -0.356 0.000 0.810 110 A CB 0.841 19.649 19.000 -0.320 0.000 1.183 110 A HN 0.847 nan 8.150 nan 0.000 0.487 111 R N 2.356 122.545 120.500 -0.519 0.000 2.494 111 R HA 0.650 4.991 4.340 0.002 0.000 0.305 111 R C -1.690 174.331 176.300 -0.466 0.000 0.959 111 R CA -0.362 55.462 56.100 -0.461 0.000 0.864 111 R CB 1.752 31.779 30.300 -0.456 0.000 1.159 111 R HN 0.483 nan 8.270 nan 0.000 0.446 112 V N 2.832 122.510 119.914 -0.393 0.000 2.459 112 V HA 0.322 4.443 4.120 0.002 0.000 0.295 112 V C -0.186 175.773 176.094 -0.224 0.000 1.029 112 V CA -0.704 61.330 62.300 -0.442 0.000 0.874 112 V CB 1.911 33.467 31.823 -0.446 0.000 0.985 112 V HN 0.792 nan 8.190 nan 0.000 0.438 113 S N 4.497 120.039 115.700 -0.262 0.000 2.513 113 S HA 0.409 4.880 4.470 0.002 0.000 0.276 113 S C 0.079 174.647 174.600 -0.053 0.000 1.254 113 S CA -0.629 57.561 58.200 -0.016 0.000 1.053 113 S CB 0.655 63.874 63.200 0.033 0.000 0.958 113 S HN 0.628 nan 8.310 nan 0.000 0.491 114 K N 1.359 121.751 120.400 -0.014 0.000 2.179 114 K HA 0.631 4.952 4.320 0.002 0.000 0.238 114 K C 1.094 177.740 176.600 0.076 0.000 1.033 114 K CA -0.211 56.101 56.287 0.042 0.000 0.926 114 K CB 0.318 32.819 32.500 0.002 0.000 1.151 114 K HN 0.817 nan 8.250 nan 0.000 0.492 115 G N 0.994 109.855 108.800 0.102 0.000 2.601 115 G HA2 -0.296 3.665 3.960 0.002 0.000 0.261 115 G HA3 -0.296 3.665 3.960 0.002 0.000 0.261 115 G C -0.813 174.153 174.900 0.110 0.000 1.289 115 G CA -0.110 45.051 45.100 0.101 0.000 0.920 115 G HN 0.582 nan 8.290 nan 0.000 0.571 116 E N -0.299 119.935 120.200 0.056 0.000 2.422 116 E HA 0.486 4.837 4.350 0.002 0.000 0.260 116 E C 0.386 176.973 176.600 -0.022 0.000 1.108 116 E CA 0.498 56.796 56.400 -0.170 0.000 0.943 116 E CB -0.064 29.380 29.700 -0.427 0.000 0.961 116 E HN 1.015 nan 8.360 nan 0.000 0.443 117 F N -0.680 119.343 119.950 0.122 0.000 2.423 117 F HA -0.176 4.352 4.527 0.002 0.000 0.403 117 F C -0.033 175.864 175.800 0.162 0.000 1.142 117 F CA 0.062 58.136 58.000 0.123 0.000 1.321 117 F CB -0.986 38.057 39.000 0.072 0.000 1.934 117 F HN 0.501 nan 8.300 nan 0.000 0.782 118 W N 3.457 124.825 121.300 0.114 0.000 2.150 118 W HA 0.624 5.285 4.660 0.002 0.000 0.341 118 W C -0.203 176.370 176.519 0.090 0.000 1.276 118 W CA 0.181 57.581 57.345 0.091 0.000 1.238 118 W CB 1.701 31.192 29.460 0.051 0.000 1.128 118 W HN 0.456 nan 8.180 nan 0.000 0.581 119 S N 5.049 120.324 115.700 -0.709 0.000 2.556 119 S HA 0.447 4.918 4.470 0.002 0.000 0.280 119 S C -2.182 172.005 174.600 -0.687 0.000 1.141 119 S CA -0.786 57.145 58.200 -0.448 0.000 0.883 119 S CB 0.921 64.034 63.200 -0.144 0.000 1.103 119 S HN 0.511 nan 8.310 nan 0.000 0.453 120 L N 4.292 125.289 121.223 -0.377 0.000 2.342 120 L HA 0.717 5.058 4.340 0.002 0.000 0.276 120 L C -1.438 175.234 176.870 -0.331 0.000 0.997 120 L CA -0.043 54.585 54.840 -0.353 0.000 0.838 120 L CB 1.274 43.284 42.059 -0.082 0.000 1.224 120 L HN 0.654 nan 8.230 nan 0.000 0.416 121 D N 4.797 124.924 120.400 -0.455 0.000 2.350 121 D HA 0.385 5.026 4.640 0.002 0.000 0.245 121 D C -1.140 174.818 176.300 -0.570 0.000 1.036 121 D CA 0.117 53.884 54.000 -0.387 0.000 0.848 121 D CB 1.830 42.469 40.800 -0.267 0.000 1.307 121 D HN 0.290 nan 8.370 nan 0.000 0.469 122 F N 1.468 121.369 119.950 -0.083 0.000 2.402 122 F HA 0.384 4.912 4.527 0.002 0.000 0.355 122 F C 0.189 175.920 175.800 -0.116 0.000 1.123 122 F CA -0.716 57.234 58.000 -0.084 0.000 1.021 122 F CB 1.046 39.998 39.000 -0.080 0.000 1.160 122 F HN -0.039 nan 8.300 nan 0.000 0.451 123 L N 3.662 124.894 121.223 0.015 0.000 2.342 123 L HA 0.645 4.986 4.340 0.002 0.000 0.271 123 L C -0.253 176.612 176.870 -0.009 0.000 1.008 123 L CA -1.012 53.810 54.840 -0.030 0.000 0.818 123 L CB 2.165 44.166 42.059 -0.096 0.000 1.296 123 L HN 0.514 nan 8.230 nan 0.000 0.427 124 R N 2.174 122.665 120.500 -0.014 0.000 2.320 124 R HA 0.310 4.651 4.340 0.002 0.000 0.319 124 R C -0.395 175.894 176.300 -0.019 0.000 0.969 124 R CA -0.305 55.792 56.100 -0.006 0.000 0.857 124 R CB 0.369 30.675 30.300 0.010 0.000 1.160 124 R HN 0.855 nan 8.270 nan 0.000 0.491 125 N N 2.987 121.670 118.700 -0.028 0.000 2.725 125 N HA -0.240 4.501 4.740 0.002 0.000 0.249 125 N C 0.503 175.987 175.510 -0.043 0.000 1.103 125 N CA 0.715 53.745 53.050 -0.034 0.000 0.707 125 N CB -0.660 37.813 38.487 -0.023 0.000 1.043 125 N HN 1.059 nan 8.380 nan 0.000 0.553 126 G N -1.377 107.387 108.800 -0.059 0.000 2.176 126 G HA2 -0.310 3.651 3.960 0.002 0.000 0.253 126 G HA3 -0.310 3.651 3.960 0.002 0.000 0.253 126 G C -0.328 174.531 174.900 -0.069 0.000 0.979 126 G CA 0.394 45.448 45.100 -0.076 0.000 0.641 126 G HN 0.420 nan 8.290 nan 0.000 0.530 127 E N 0.269 120.440 120.200 -0.048 0.000 2.166 127 E HA 0.367 4.719 4.350 0.002 0.000 0.275 127 E C 0.354 176.932 176.600 -0.036 0.000 0.941 127 E CA -0.857 55.521 56.400 -0.036 0.000 0.784 127 E CB 1.461 31.151 29.700 -0.017 0.000 1.115 127 E HN 0.398 nan 8.360 nan 0.000 0.399 128 R N 3.458 123.934 120.500 -0.039 0.000 2.370 128 R HA 0.089 4.430 4.340 0.002 0.000 0.309 128 R C 1.261 177.551 176.300 -0.017 0.000 1.059 128 R CA 0.155 56.234 56.100 -0.035 0.000 0.981 128 R CB 0.055 30.332 30.300 -0.039 0.000 0.972 128 R HN 0.613 nan 8.270 nan 0.000 0.437 129 I N -0.444 120.104 120.570 -0.037 0.000 3.708 129 I HA 0.287 4.458 4.170 0.002 0.000 0.302 129 I C 0.577 176.611 176.117 -0.139 0.000 1.255 129 I CA -0.198 61.059 61.300 -0.072 0.000 1.362 129 I CB 0.785 38.702 38.000 -0.139 0.000 1.100 129 I HN 0.505 nan 8.210 nan 0.000 0.434 130 T N -0.838 113.659 114.554 -0.095 0.000 2.654 130 T HA 0.647 4.998 4.350 0.002 0.000 0.303 130 T C -1.091 173.721 174.700 0.187 0.000 1.656 130 T CA 0.100 62.195 62.100 -0.008 0.000 0.971 130 T CB 1.196 69.957 68.868 -0.179 0.000 1.811 130 T HN 0.695 nan 8.240 nan 0.000 0.483 131 G N 0.477 109.436 108.800 0.265 0.000 2.320 131 G HA2 0.449 4.411 3.960 0.002 0.000 0.297 131 G HA3 0.449 4.411 3.960 0.002 0.000 0.297 131 G C -1.397 173.629 174.900 0.211 0.000 1.344 131 G CA 0.337 45.620 45.100 0.304 0.000 0.851 131 G HN 1.046 nan 8.290 nan 0.000 0.567 132 S N -0.377 115.425 115.700 0.171 0.000 2.530 132 S HA 0.561 5.032 4.470 0.002 0.000 0.322 132 S C 0.074 174.752 174.600 0.129 0.000 1.085 132 S CA -0.349 57.937 58.200 0.143 0.000 1.096 132 S CB 0.835 64.146 63.200 0.185 0.000 0.988 132 S HN 0.563 nan 8.310 nan 0.000 0.466 133 Q N 2.044 121.902 119.800 0.097 0.000 2.368 133 Q HA 0.288 4.629 4.340 0.002 0.000 0.237 133 Q C 0.138 176.230 176.000 0.153 0.000 0.987 133 Q CA -0.455 55.413 55.803 0.108 0.000 0.896 133 Q CB 1.101 29.875 28.738 0.061 0.000 1.241 133 Q HN 0.626 nan 8.270 nan 0.000 0.485 134 V N 2.841 122.889 119.914 0.223 0.000 2.752 134 V HA -0.179 3.942 4.120 0.002 0.000 0.306 134 V C 0.291 176.352 176.094 -0.056 0.000 1.099 134 V CA 1.238 63.650 62.300 0.187 0.000 1.240 134 V CB -0.272 31.667 31.823 0.194 0.000 0.887 134 V HN 0.879 nan 8.190 nan 0.000 0.499 135 K N 3.201 123.455 120.400 -0.242 0.000 3.446 135 K HA -0.168 4.154 4.320 0.002 0.000 0.312 135 K C 0.635 177.029 176.600 -0.342 0.000 1.329 135 K CA 1.127 57.051 56.287 -0.605 0.000 0.935 135 K CB -1.334 30.832 32.500 -0.558 0.000 1.281 135 K HN 0.849 nan 8.250 nan 0.000 0.457 136 N N 1.035 119.658 118.700 -0.129 0.000 2.236 136 N HA 0.008 4.749 4.740 0.002 0.000 0.196 136 N C -0.383 174.995 175.510 -0.220 0.000 1.114 136 N CA 0.386 53.434 53.050 -0.004 0.000 0.859 136 N CB 0.309 38.798 38.487 0.003 0.000 0.982 136 N HN 0.462 nan 8.380 nan 0.000 0.493 137 N N -0.783 117.611 118.700 -0.511 0.000 2.525 137 N HA 0.703 5.444 4.740 0.002 0.000 0.270 137 N C -0.016 174.895 175.510 -0.998 0.000 1.321 137 N CA -0.576 51.822 53.050 -1.086 0.000 0.797 137 N CB 1.692 39.876 38.487 -0.505 0.000 1.529 137 N HN -0.040 nan 8.380 nan 0.000 0.491 138 G N -1.499 106.658 108.800 -1.072 0.000 2.350 138 G HA2 0.205 4.166 3.960 0.002 0.000 0.276 138 G HA3 0.205 4.166 3.960 0.002 0.000 0.276 138 G C -2.410 172.517 174.900 0.045 0.000 1.313 138 G CA -0.913 43.874 45.100 -0.522 0.000 0.903 138 G HN 0.658 nan 8.290 nan 0.000 0.490 139 Y N 0.188 120.562 120.300 0.124 0.000 2.360 139 Y HA 0.675 5.227 4.550 0.002 0.000 0.337 139 Y C -0.185 175.751 175.900 0.060 0.000 1.039 139 Y CA -0.931 57.225 58.100 0.092 0.000 1.109 139 Y CB 2.051 40.442 38.460 -0.115 0.000 1.201 139 Y HN 0.437 nan 8.280 nan 0.000 0.458 140 V N 6.773 126.499 119.914 -0.314 0.000 2.378 140 V HA 0.280 4.401 4.120 0.002 0.000 0.288 140 V C -0.621 175.165 176.094 -0.513 0.000 1.016 140 V CA -0.835 61.292 62.300 -0.289 0.000 0.840 140 V CB 1.392 33.135 31.823 -0.133 0.000 0.994 140 V HN 0.746 nan 8.190 nan 0.000 0.431 141 Q N 3.612 123.175 119.800 -0.395 0.000 2.430 141 Q HA 0.222 4.563 4.340 0.002 0.000 0.245 141 Q C -0.738 175.185 176.000 -0.129 0.000 1.021 141 Q CA -0.488 55.134 55.803 -0.303 0.000 0.867 141 Q CB 0.882 29.521 28.738 -0.165 0.000 1.210 141 Q HN 0.766 nan 8.270 nan 0.000 0.487 142 D N 3.186 123.549 120.400 -0.062 0.000 2.365 142 D HA 0.022 4.663 4.640 0.002 0.000 0.237 142 D C 0.768 177.062 176.300 -0.011 0.000 1.190 142 D CA -0.042 53.956 54.000 -0.004 0.000 0.867 142 D CB 1.282 42.154 40.800 0.119 0.000 1.050 142 D HN 0.679 nan 8.370 nan 0.000 0.491 143 T N 0.762 115.304 114.554 -0.020 0.000 3.148 143 T HA 0.002 4.353 4.350 0.002 0.000 0.253 143 T C 1.145 175.841 174.700 -0.007 0.000 1.134 143 T CA 0.105 62.198 62.100 -0.011 0.000 1.051 143 T CB 0.142 69.003 68.868 -0.012 0.000 0.959 143 T HN 0.200 nan 8.240 nan 0.000 0.525 144 N N 2.991 121.686 118.700 -0.008 0.000 2.251 144 N HA -0.035 4.706 4.740 0.002 0.000 0.181 144 N C 1.355 176.866 175.510 0.000 0.000 1.019 144 N CA 1.362 54.407 53.050 -0.008 0.000 0.862 144 N CB -0.212 38.265 38.487 -0.016 0.000 0.992 144 N HN 0.701 nan 8.380 nan 0.000 0.429 145 N N 0.106 118.813 118.700 0.010 0.000 2.187 145 N HA 0.046 4.788 4.740 0.002 0.000 0.212 145 N C -0.316 175.198 175.510 0.006 0.000 1.152 145 N CA 0.057 53.115 53.050 0.014 0.000 0.872 145 N CB 0.327 38.832 38.487 0.030 0.000 1.025 145 N HN -0.227 nan 8.380 nan 0.000 0.514 146 Q N -0.511 119.289 119.800 0.001 0.000 2.480 146 Q HA -0.206 4.136 4.340 0.002 0.000 0.265 146 Q C -0.933 175.047 176.000 -0.034 0.000 1.072 146 Q CA 0.929 56.728 55.803 -0.007 0.000 1.018 146 Q CB -1.647 27.091 28.738 0.001 0.000 1.433 146 Q HN 0.571 nan 8.270 nan 0.000 0.513 147 R N 0.257 120.723 120.500 -0.057 0.000 2.732 147 R HA 0.607 4.948 4.340 0.002 0.000 0.278 147 R C -0.263 175.852 176.300 -0.308 0.000 0.976 147 R CA -0.925 55.060 56.100 -0.191 0.000 0.963 147 R CB 1.218 31.382 30.300 -0.227 0.000 1.150 147 R HN 0.058 nan 8.270 nan 0.000 0.478 148 N N 1.278 119.683 118.700 -0.491 0.000 2.272 148 N HA 0.401 5.142 4.740 0.002 0.000 0.305 148 N C -1.234 173.840 175.510 -0.726 0.000 1.103 148 N CA -0.370 52.374 53.050 -0.509 0.000 0.791 148 N CB 1.821 40.125 38.487 -0.305 0.000 1.356 148 N HN 0.380 nan 8.380 nan 0.000 0.486 152 E N 1.245 121.136 120.200 -0.515 0.000 2.390 152 E HA 0.635 4.986 4.350 0.002 0.000 0.277 152 E C -1.885 174.318 176.600 -0.661 0.000 0.939 152 E CA -0.780 55.204 56.400 -0.693 0.000 0.769 152 E CB 2.198 31.454 29.700 -0.739 0.000 1.251 152 E HN 0.741 nan 8.360 nan 0.000 0.450 153 R N 3.232 123.509 120.500 -0.371 0.000 2.507 153 R HA 0.434 4.775 4.340 0.002 0.000 0.298 153 R C -0.757 175.484 176.300 -0.099 0.000 1.087 153 R CA -0.618 55.356 56.100 -0.210 0.000 0.917 153 R CB 0.983 31.257 30.300 -0.043 0.000 1.173 153 R HN 0.437 nan 8.270 nan 0.000 0.472 154 L N 3.162 124.361 121.223 -0.041 0.000 2.276 154 L HA 0.264 4.605 4.340 0.002 0.000 0.286 154 L C 0.021 176.959 176.870 0.114 0.000 1.061 154 L CA -0.809 54.092 54.840 0.102 0.000 0.807 154 L CB 0.977 43.162 42.059 0.211 0.000 1.177 154 L HN 0.382 nan 8.230 nan 0.000 0.429 155 D N 2.701 123.166 120.400 0.108 0.000 2.449 155 D HA 0.189 4.830 4.640 0.002 0.000 0.236 155 D C -0.332 176.040 176.300 0.120 0.000 1.149 155 D CA 0.202 54.255 54.000 0.088 0.000 0.878 155 D CB 0.947 41.791 40.800 0.072 0.000 1.198 155 D HN 0.024 nan 8.370 nan 0.000 0.446 156 L N 1.339 122.612 121.223 0.083 0.000 2.346 156 L HA 0.533 4.874 4.340 0.002 0.000 0.276 156 L C 0.816 177.727 176.870 0.068 0.000 1.006 156 L CA -0.403 54.489 54.840 0.088 0.000 0.817 156 L CB 1.724 43.802 42.059 0.032 0.000 1.272 156 L HN 0.416 nan 8.230 nan 0.000 0.421 157 G N 2.334 111.184 108.800 0.083 0.000 2.557 157 G HA2 0.458 4.420 3.960 0.002 0.000 0.292 157 G HA3 0.458 4.420 3.960 0.002 0.000 0.292 157 G C -0.788 174.137 174.900 0.042 0.000 1.237 157 G CA -0.619 44.518 45.100 0.062 0.000 0.978 157 G HN 0.372 nan 8.290 nan 0.000 0.498 158 V N 0.993 120.928 119.914 0.035 0.000 2.450 158 V HA 0.393 4.514 4.120 0.002 0.000 0.281 158 V C 1.564 177.677 176.094 0.033 0.000 1.019 158 V CA 1.611 63.928 62.300 0.028 0.000 1.062 158 V CB 0.137 31.974 31.823 0.023 0.000 0.979 158 V HN 1.741 nan 8.190 nan 0.000 0.477 159 G N 3.826 112.646 108.800 0.033 0.000 2.179 159 G HA2 -0.273 3.688 3.960 0.002 0.000 0.260 159 G HA3 -0.273 3.688 3.960 0.002 0.000 0.260 159 G C 0.209 175.124 174.900 0.025 0.000 0.977 159 G CA 0.339 45.463 45.100 0.041 0.000 0.641 159 G HN 0.794 nan 8.290 nan 0.000 0.533 160 E N 1.806 122.019 120.200 0.021 0.000 2.217 160 E HA 0.472 4.823 4.350 0.002 0.000 0.279 160 E C 0.845 177.417 176.600 -0.047 0.000 1.068 160 E CA 0.318 56.726 56.400 0.013 0.000 0.882 160 E CB 0.272 30.005 29.700 0.054 0.000 1.039 160 E HN 0.407 nan 8.360 nan 0.000 0.418 161 T N 0.458 114.959 114.554 -0.090 0.000 2.929 161 T HA 0.541 4.892 4.350 0.002 0.000 0.284 161 T C -0.134 174.370 174.700 -0.326 0.000 1.014 161 T CA -0.934 61.008 62.100 -0.263 0.000 1.051 161 T CB 1.600 70.207 68.868 -0.436 0.000 1.028 161 T HN 0.149 nan 8.240 nan 0.000 0.485 162 V N 2.240 121.830 119.914 -0.539 0.000 2.513 162 V HA 0.583 4.704 4.120 0.002 0.000 0.299 162 V C -1.196 174.450 176.094 -0.746 0.000 1.035 162 V CA -0.840 61.179 62.300 -0.468 0.000 0.889 162 V CB 0.880 32.459 31.823 -0.406 0.000 0.988 162 V HN 0.941 nan 8.190 nan 0.000 0.440 163 Y N 1.387 121.561 120.300 -0.209 0.000 2.605 163 Y HA 0.874 5.425 4.550 0.002 0.000 0.343 163 Y C 0.814 176.582 175.900 -0.221 0.000 1.036 163 Y CA 0.229 58.205 58.100 -0.206 0.000 1.065 163 Y CB 2.212 40.560 38.460 -0.187 0.000 1.288 163 Y HN 0.983 nan 8.280 nan 0.000 0.481 164 G N 0.066 108.841 108.800 -0.041 0.000 2.464 164 G HA2 -0.043 3.918 3.960 0.002 0.000 0.216 164 G HA3 -0.043 3.918 3.960 0.002 0.000 0.216 164 G C -0.685 174.117 174.900 -0.162 0.000 1.186 164 G CA -0.379 44.663 45.100 -0.098 0.000 1.010 164 G HN 1.147 nan 8.290 nan 0.000 0.585 165 L N 0.026 121.148 121.223 -0.169 0.000 4.351 165 L HA 0.079 4.420 4.340 0.002 0.000 0.410 165 L C 1.828 178.618 176.870 -0.132 0.000 1.150 165 L CA 2.942 57.657 54.840 -0.209 0.000 0.961 165 L CB -1.954 39.907 42.059 -0.330 0.000 2.130 165 L HN 3.001 nan 8.230 nan 0.000 0.787 166 G N -0.742 107.987 108.800 -0.118 0.000 2.500 166 G HA2 -0.154 3.807 3.960 0.002 0.000 0.209 166 G HA3 -0.154 3.807 3.960 0.002 0.000 0.209 166 G C -0.272 174.465 174.900 -0.271 0.000 1.283 166 G CA -0.013 44.983 45.100 -0.172 0.000 0.960 166 G HN 0.461 nan 8.290 nan 0.000 0.528 167 E N 1.053 121.057 120.200 -0.327 0.000 1.936 167 E HA 0.445 4.796 4.350 0.002 0.000 0.267 167 E C 0.526 176.764 176.600 -0.604 0.000 1.076 167 E CA -0.375 55.763 56.400 -0.436 0.000 0.870 167 E CB 0.010 29.513 29.700 -0.328 0.000 1.093 167 E HN 0.474 nan 8.360 nan 0.000 0.411 168 R N 3.014 123.131 120.500 -0.639 0.000 2.787 168 R HA 0.355 4.696 4.340 0.002 0.000 0.271 168 R C -0.097 175.706 176.300 -0.828 0.000 0.993 168 R CA -0.663 55.048 56.100 -0.649 0.000 0.993 168 R CB 0.853 30.975 30.300 -0.297 0.000 1.155 168 R HN 0.470 nan 8.270 nan 0.000 0.486 169 F N -0.459 119.469 119.950 -0.036 0.000 2.661 169 F HA 0.080 4.608 4.527 0.002 0.000 0.306 169 F C 1.332 177.115 175.800 -0.028 0.000 1.094 169 F CA -0.513 57.474 58.000 -0.021 0.000 1.254 169 F CB 0.492 39.500 39.000 0.013 0.000 1.040 169 F HN 0.489 nan 8.300 nan 0.000 0.562 170 T N -1.087 113.494 114.554 0.045 0.000 2.771 170 T HA 0.643 4.994 4.350 0.002 0.000 0.290 170 T C 0.688 175.376 174.700 -0.020 0.000 1.005 170 T CA -0.628 61.482 62.100 0.017 0.000 0.944 170 T CB 0.861 69.721 68.868 -0.013 0.000 1.147 170 T HN 0.147 nan 8.240 nan 0.000 0.534 171 A N 0.612 123.416 122.820 -0.027 0.000 2.567 171 A HA 0.237 4.558 4.320 0.002 0.000 0.240 171 A C 1.446 178.993 177.584 -0.061 0.000 1.053 171 A CA -0.367 51.651 52.037 -0.032 0.000 0.755 171 A CB -0.698 18.288 19.000 -0.023 0.000 0.978 171 A HN 1.007 nan 8.150 nan 0.000 0.507 172 L N 4.158 125.352 121.223 -0.047 0.000 1.997 172 L HA -0.144 4.197 4.340 0.002 0.000 0.216 172 L C 1.101 177.879 176.870 -0.154 0.000 1.074 172 L CA 1.981 56.784 54.840 -0.062 0.000 0.763 172 L CB -0.422 41.642 42.059 0.009 0.000 0.890 172 L HN 0.499 nan 8.230 nan 0.000 0.434 173 V N 1.657 121.447 119.914 -0.206 0.000 2.470 173 V HA 0.067 4.188 4.120 0.002 0.000 0.276 173 V C 1.351 177.266 176.094 -0.298 0.000 1.040 173 V CA -0.359 61.673 62.300 -0.447 0.000 1.008 173 V CB 0.935 32.505 31.823 -0.421 0.000 0.990 173 V HN 0.351 nan 8.190 nan 0.000 0.477 174 R N 2.589 122.870 120.500 -0.365 0.000 2.193 174 R HA 0.019 4.360 4.340 0.002 0.000 0.213 174 R C 0.417 176.593 176.300 -0.207 0.000 1.055 174 R CA 0.036 55.979 56.100 -0.261 0.000 0.995 174 R CB -0.642 29.479 30.300 -0.298 0.000 0.893 174 R HN 0.677 nan 8.270 nan 0.000 0.459 175 N N 0.874 119.443 118.700 -0.218 0.000 2.301 175 N HA 0.059 4.800 4.740 0.002 0.000 0.267 175 N C 1.111 176.564 175.510 -0.095 0.000 1.304 175 N CA 1.536 54.497 53.050 -0.147 0.000 0.851 175 N CB 0.124 38.539 38.487 -0.119 0.000 1.070 175 N HN 0.392 nan 8.380 nan 0.000 0.483 176 G N 0.921 109.670 108.800 -0.084 0.000 2.213 176 G HA2 -0.261 3.700 3.960 0.002 0.000 0.236 176 G HA3 -0.261 3.700 3.960 0.002 0.000 0.236 176 G C -0.072 174.793 174.900 -0.060 0.000 0.991 176 G CA -0.309 44.753 45.100 -0.063 0.000 0.629 176 G HN 0.574 nan 8.290 nan 0.000 0.517 177 Q N 0.561 120.318 119.800 -0.071 0.000 2.214 177 Q HA 0.616 4.957 4.340 0.002 0.000 0.251 177 Q C -0.497 175.481 176.000 -0.036 0.000 0.936 177 Q CA -0.175 55.594 55.803 -0.057 0.000 0.894 177 Q CB 1.505 30.200 28.738 -0.073 0.000 1.252 177 Q HN 0.158 nan 8.270 nan 0.000 0.448 178 T N 1.298 115.842 114.554 -0.015 0.000 2.829 178 T HA 0.488 4.839 4.350 0.002 0.000 0.282 178 T C -0.848 173.872 174.700 0.035 0.000 0.990 178 T CA -0.458 61.651 62.100 0.014 0.000 1.028 178 T CB 0.902 69.771 68.868 0.002 0.000 0.951 178 T HN 0.239 nan 8.240 nan 0.000 0.460 179 V N 3.987 123.958 119.914 0.095 0.000 2.569 179 V HA 0.359 4.480 4.120 0.002 0.000 0.301 179 V C -0.738 175.490 176.094 0.223 0.000 1.044 179 V CA -0.927 61.440 62.300 0.112 0.000 0.874 179 V CB 2.043 33.881 31.823 0.025 0.000 1.002 179 V HN 0.777 nan 8.190 nan 0.000 0.424 180 E N 2.660 122.971 120.200 0.185 0.000 2.081 180 E HA 0.278 4.630 4.350 0.002 0.000 0.276 180 E C 0.195 176.977 176.600 0.303 0.000 0.950 180 E CA -0.412 56.123 56.400 0.224 0.000 0.776 180 E CB 1.653 31.439 29.700 0.144 0.000 1.094 180 E HN 0.775 nan 8.360 nan 0.000 0.402 181 T N 1.143 115.928 114.554 0.384 0.000 2.978 181 T HA 0.229 4.580 4.350 0.002 0.000 0.278 181 T C -0.187 174.828 174.700 0.524 0.000 0.945 181 T CA -0.709 61.630 62.100 0.399 0.000 1.070 181 T CB -0.160 68.970 68.868 0.436 0.000 0.948 181 T HN 0.442 nan 8.240 nan 0.000 0.617 182 W N 4.356 125.791 121.300 0.225 0.000 3.089 182 W HA 0.259 4.920 4.660 0.002 0.000 0.333 182 W C -1.394 175.317 176.519 0.320 0.000 1.053 182 W CA -0.960 56.548 57.345 0.271 0.000 1.257 182 W CB 1.259 30.812 29.460 0.154 0.000 1.281 182 W HN 0.400 nan 8.180 nan 0.000 0.427 183 N N 5.309 124.104 118.700 0.159 0.000 2.411 183 N HA 0.101 4.842 4.740 0.002 0.000 0.261 183 N C -0.308 175.325 175.510 0.205 0.000 1.248 183 N CA 0.732 53.861 53.050 0.132 0.000 0.885 183 N CB 0.587 39.068 38.487 -0.010 0.000 1.062 183 N HN 0.379 nan 8.380 nan 0.000 0.471 184 R N 0.390 121.021 120.500 0.218 0.000 2.707 184 R HA 0.192 4.533 4.340 0.002 0.000 0.272 184 R C -1.308 175.089 176.300 0.161 0.000 1.011 184 R CA -0.805 55.439 56.100 0.240 0.000 0.893 184 R CB 1.534 31.992 30.300 0.264 0.000 1.233 184 R HN 0.363 nan 8.270 nan 0.000 0.464 185 D N 0.968 121.504 120.400 0.227 0.000 2.499 185 D HA 0.238 4.879 4.640 0.002 0.000 0.225 185 D C 0.169 176.534 176.300 0.108 0.000 1.124 185 D CA -0.078 54.057 54.000 0.224 0.000 0.938 185 D CB 0.717 41.728 40.800 0.352 0.000 1.014 185 D HN 0.731 nan 8.370 nan 0.000 0.517 186 G N 1.444 110.189 108.800 -0.092 0.000 3.596 186 G HA2 0.522 4.483 3.960 0.002 0.000 0.274 186 G HA3 0.522 4.483 3.960 0.002 0.000 0.274 186 G C 0.779 175.641 174.900 -0.064 0.000 1.007 186 G CA 0.102 45.189 45.100 -0.021 0.000 0.825 186 G HN 0.825 nan 8.290 nan 0.000 0.508 187 G N 0.048 108.770 108.800 -0.129 0.000 2.615 187 G HA2 0.059 4.020 3.960 0.002 0.000 0.218 187 G HA3 0.059 4.020 3.960 0.002 0.000 0.218 187 G C 0.584 175.325 174.900 -0.265 0.000 1.339 187 G CA 0.570 45.645 45.100 -0.041 0.000 0.884 187 G HN 1.173 nan 8.290 nan 0.000 0.559 188 T N -3.392 110.963 114.554 -0.332 0.000 3.200 188 T HA 0.555 4.907 4.350 0.002 0.000 0.284 188 T C 1.218 175.511 174.700 -0.679 0.000 1.009 188 T CA 1.101 62.578 62.100 -1.037 0.000 0.907 188 T CB 0.033 68.267 68.868 -1.056 0.000 1.120 188 T HN 1.838 nan 8.240 nan 0.000 0.534 189 S N 0.332 115.890 115.700 -0.237 0.000 2.749 189 S HA 0.364 4.835 4.470 0.002 0.000 0.246 189 S C 0.604 175.196 174.600 -0.012 0.000 1.023 189 S CA -0.086 58.062 58.200 -0.086 0.000 1.012 189 S CB 0.072 63.222 63.200 -0.083 0.000 0.942 189 S HN 0.712 nan 8.310 nan 0.000 0.531 190 T N -1.099 113.469 114.554 0.023 0.000 2.742 190 T HA 0.478 4.829 4.350 0.002 0.000 0.282 190 T C 0.688 175.451 174.700 0.106 0.000 1.025 190 T CA -0.289 61.843 62.100 0.053 0.000 1.020 190 T CB 1.455 70.343 68.868 0.033 0.000 1.317 190 T HN 0.028 nan 8.240 nan 0.000 0.538 191 E N 0.119 120.365 120.200 0.075 0.000 2.427 191 E HA -0.036 4.315 4.350 0.002 0.000 0.196 191 E C 0.212 176.862 176.600 0.084 0.000 1.028 191 E CA 0.373 56.816 56.400 0.072 0.000 0.864 191 E CB -0.099 29.629 29.700 0.048 0.000 0.813 191 E HN 0.739 nan 8.360 nan 0.000 0.514 192 Q N 0.418 120.270 119.800 0.087 0.000 2.382 192 Q HA 0.560 4.901 4.340 0.002 0.000 0.229 192 Q C -0.499 175.544 176.000 0.071 0.000 1.006 192 Q CA -0.086 55.767 55.803 0.084 0.000 0.916 192 Q CB 1.374 30.153 28.738 0.068 0.000 1.235 192 Q HN 0.245 nan 8.270 nan 0.000 0.512 193 A N 0.418 123.267 122.820 0.049 0.000 2.539 193 A HA 0.460 4.782 4.320 0.002 0.000 0.296 193 A C -1.052 176.551 177.584 0.030 0.000 1.073 193 A CA -0.678 51.376 52.037 0.028 0.000 0.700 193 A CB 0.556 19.568 19.000 0.021 0.000 1.296 193 A HN 0.813 nan 8.150 nan 0.000 0.405 194 Y N 0.526 120.929 120.300 0.170 0.000 2.365 194 Y HA 0.118 4.669 4.550 0.002 0.000 0.293 194 Y C 0.649 176.605 175.900 0.094 0.000 1.119 194 Y CA 0.995 59.177 58.100 0.136 0.000 1.203 194 Y CB 0.300 38.840 38.460 0.133 0.000 1.026 194 Y HN 0.483 nan 8.280 nan 0.000 0.549 195 K N 1.658 122.177 120.400 0.198 0.000 2.527 195 K HA 0.236 4.558 4.320 0.002 0.000 0.240 195 K C -1.151 175.446 176.600 -0.005 0.000 0.989 195 K CA -0.313 56.002 56.287 0.048 0.000 0.985 195 K CB 0.735 33.155 32.500 -0.133 0.000 1.221 195 K HN 0.073 nan 8.250 nan 0.000 0.458 196 N N 3.585 122.333 118.700 0.081 0.000 2.473 196 N HA 0.409 5.150 4.740 0.002 0.000 0.291 196 N C -0.698 174.887 175.510 0.125 0.000 1.083 196 N CA -0.363 52.748 53.050 0.103 0.000 0.951 196 N CB 1.549 40.153 38.487 0.195 0.000 1.164 196 N HN 0.312 nan 8.380 nan 0.000 0.480 197 I N 3.011 123.641 120.570 0.100 0.000 2.534 197 I HA 0.212 4.383 4.170 0.002 0.000 0.286 197 I C -2.215 173.994 176.117 0.152 0.000 1.094 197 I CA -1.945 59.437 61.300 0.136 0.000 1.055 197 I CB 2.147 40.217 38.000 0.117 0.000 1.225 197 I HN 0.213 nan 8.210 nan 0.000 0.435 198 P HA 0.098 nan 4.420 nan 0.000 0.249 198 P C -0.570 176.913 177.300 0.304 0.000 1.686 198 P CA 0.235 63.564 63.100 0.381 0.000 0.873 198 P CB -0.576 31.460 31.700 0.559 0.000 1.828 199 F N 2.798 122.716 119.950 -0.053 0.000 2.529 199 F HA 0.534 5.062 4.527 0.002 0.000 0.320 199 F C -1.070 174.614 175.800 -0.193 0.000 1.118 199 F CA -1.268 56.628 58.000 -0.174 0.000 0.915 199 F CB 1.444 40.202 39.000 -0.404 0.000 1.161 199 F HN -0.032 nan 8.300 nan 0.000 0.445 203 N N -0.032 118.690 118.700 0.037 0.000 2.421 203 N HA 0.053 4.794 4.740 0.002 0.000 0.201 203 N C 0.656 176.166 175.510 -0.000 0.000 1.198 203 N CA -0.342 52.708 53.050 -0.000 0.000 0.838 203 N CB -0.214 38.301 38.487 0.047 0.000 1.011 203 N HN 0.414 nan 8.380 nan 0.000 0.463 204 R N -0.160 120.336 120.500 -0.006 0.000 2.468 204 R HA 0.258 4.599 4.340 0.002 0.000 0.280 204 R C 0.697 177.073 176.300 0.126 0.000 0.963 204 R CA 0.193 56.346 56.100 0.088 0.000 1.083 204 R CB -0.467 29.957 30.300 0.208 0.000 1.200 204 R HN 0.383 nan 8.270 nan 0.000 0.541 205 G N 1.486 110.300 108.800 0.023 0.000 2.149 205 G HA2 -0.309 3.653 3.960 0.002 0.000 0.235 205 G HA3 -0.309 3.653 3.960 0.002 0.000 0.235 205 G C -0.342 174.635 174.900 0.128 0.000 1.018 205 G CA 0.736 45.868 45.100 0.052 0.000 0.728 205 G HN 0.466 nan 8.290 nan 0.000 0.508 206 Y N -2.297 117.999 120.300 -0.007 0.000 2.625 206 Y HA 0.811 5.362 4.550 0.002 0.000 0.338 206 Y C 0.296 176.149 175.900 -0.078 0.000 1.123 206 Y CA -1.264 56.823 58.100 -0.023 0.000 1.046 206 Y CB 0.864 39.309 38.460 -0.025 0.000 1.299 206 Y HN 0.672 nan 8.280 nan 0.000 0.464 207 G N 0.224 109.029 108.800 0.009 0.000 2.714 207 G HA2 0.695 4.656 3.960 0.002 0.000 0.292 207 G HA3 0.695 4.656 3.960 0.002 0.000 0.292 207 G C -2.120 172.658 174.900 -0.204 0.000 1.308 207 G CA -1.333 43.615 45.100 -0.253 0.000 0.964 207 G HN 0.799 nan 8.290 nan 0.000 0.484 208 V N 0.203 119.759 119.914 -0.597 0.000 2.777 208 V HA 0.497 4.618 4.120 0.002 0.000 0.306 208 V C -1.305 174.713 176.094 -0.127 0.000 1.112 208 V CA -0.615 61.465 62.300 -0.366 0.000 0.917 208 V CB 1.753 33.131 31.823 -0.741 0.000 1.018 208 V HN 0.783 nan 8.190 nan 0.000 0.426 209 L N 5.982 127.378 121.223 0.287 0.000 2.343 209 L HA 0.715 5.056 4.340 0.002 0.000 0.278 209 L C -0.594 176.502 176.870 0.376 0.000 0.996 209 L CA -0.127 54.982 54.840 0.448 0.000 0.831 209 L CB 1.850 44.304 42.059 0.659 0.000 1.232 209 L HN 0.445 nan 8.230 nan 0.000 0.413 210 V N 4.916 124.992 119.914 0.269 0.000 2.339 210 V HA 0.205 4.326 4.120 0.002 0.000 0.261 210 V C 0.593 176.923 176.094 0.394 0.000 1.058 210 V CA -0.470 61.945 62.300 0.193 0.000 0.897 210 V CB 0.390 32.171 31.823 -0.070 0.000 1.052 210 V HN 0.809 nan 8.190 nan 0.000 0.480 211 N N 4.938 123.840 118.700 0.335 0.000 2.814 211 N HA 0.003 4.745 4.740 0.002 0.000 0.304 211 N C -0.411 174.946 175.510 -0.254 0.000 1.211 211 N CA 0.386 53.600 53.050 0.272 0.000 1.158 211 N CB -0.473 38.217 38.487 0.338 0.000 1.458 211 N HN 0.697 nan 8.380 nan 0.000 0.519 212 H N 1.357 120.552 119.070 0.209 0.000 3.149 212 H HA 0.188 4.745 4.556 0.002 0.000 0.334 212 H C -2.078 173.180 175.328 -0.117 0.000 1.000 212 H CA -1.167 54.883 56.048 0.003 0.000 1.415 212 H CB 2.115 31.914 29.762 0.061 0.000 1.819 212 H HN 0.289 nan 8.280 nan 0.000 0.486 213 P HA -0.117 nan 4.420 nan 0.000 0.222 213 P C 0.948 178.347 177.300 0.165 0.000 1.153 213 P CA 0.787 63.734 63.100 -0.255 0.000 0.798 213 P CB 0.534 31.988 31.700 -0.410 0.000 0.796 214 Q N -0.041 119.880 119.800 0.202 0.000 2.631 214 Q HA 0.004 4.345 4.340 0.002 0.000 0.210 214 Q C 0.087 176.330 176.000 0.404 0.000 1.094 214 Q CA -0.280 55.725 55.803 0.336 0.000 1.055 214 Q CB -0.547 28.336 28.738 0.241 0.000 1.261 214 Q HN 0.002 nan 8.270 nan 0.000 0.615 215 C N 1.229 120.803 119.300 0.457 0.000 2.633 215 C HA 0.311 4.772 4.460 0.002 0.000 0.415 215 C C -0.048 175.070 174.990 0.213 0.000 1.393 215 C CA -0.279 58.961 59.018 0.371 0.000 1.700 215 C CB -1.028 26.753 27.740 0.070 0.000 2.541 215 C HN 0.474 nan 8.230 nan 0.000 0.603 216 V N 6.909 126.970 119.914 0.246 0.000 2.448 216 V HA 0.394 4.516 4.120 0.002 0.000 0.295 216 V C 0.209 176.359 176.094 0.093 0.000 1.025 216 V CA -0.122 62.245 62.300 0.112 0.000 0.859 216 V CB 1.815 33.713 31.823 0.125 0.000 0.988 216 V HN 0.925 nan 8.190 nan 0.000 0.431 217 S N 5.109 120.790 115.700 -0.032 0.000 2.410 217 S HA 0.668 5.139 4.470 0.002 0.000 0.304 217 S C -0.856 173.708 174.600 -0.060 0.000 1.095 217 S CA -0.367 57.837 58.200 0.006 0.000 1.089 217 S CB -0.122 63.049 63.200 -0.048 0.000 0.968 217 S HN 0.389 nan 8.310 nan 0.000 0.480 218 F N 2.977 122.971 119.950 0.074 0.000 2.421 218 F HA 0.458 4.986 4.527 0.002 0.000 0.337 218 F C 0.756 176.552 175.800 -0.007 0.000 1.105 218 F CA -0.686 57.353 58.000 0.066 0.000 1.049 218 F CB 1.373 40.399 39.000 0.043 0.000 1.139 218 F HN 0.375 nan 8.300 nan 0.000 0.479 219 E N 3.328 123.614 120.200 0.143 0.000 2.255 219 E HA 0.257 4.609 4.350 0.002 0.000 0.245 219 E C -1.077 175.534 176.600 0.019 0.000 0.909 219 E CA -0.363 56.059 56.400 0.037 0.000 0.747 219 E CB 1.860 31.543 29.700 -0.027 0.000 1.215 219 E HN 0.254 nan 8.360 nan 0.000 0.424 220 V N 1.523 121.428 119.914 -0.015 0.000 2.299 220 V HA 0.303 4.424 4.120 0.002 0.000 0.255 220 V C 1.345 177.383 176.094 -0.093 0.000 1.100 220 V CA 0.150 62.395 62.300 -0.092 0.000 0.938 220 V CB 0.328 32.046 31.823 -0.175 0.000 1.139 220 V HN 0.908 nan 8.190 nan 0.000 0.490 221 G N 4.448 113.201 108.800 -0.078 0.000 2.168 221 G HA2 -0.296 3.665 3.960 0.002 0.000 0.257 221 G HA3 -0.296 3.665 3.960 0.002 0.000 0.257 221 G C 0.788 175.651 174.900 -0.062 0.000 0.997 221 G CA 0.693 45.752 45.100 -0.070 0.000 0.708 221 G HN 1.038 nan 8.290 nan 0.000 0.520 222 S N -1.912 113.753 115.700 -0.058 0.000 2.523 222 S HA 0.440 4.912 4.470 0.002 0.000 0.217 222 S C 1.209 175.771 174.600 -0.062 0.000 0.996 222 S CA 0.856 59.023 58.200 -0.055 0.000 0.921 222 S CB 0.785 63.957 63.200 -0.047 0.000 0.829 222 S HN 0.637 nan 8.310 nan 0.000 0.495 223 E N 0.814 120.972 120.200 -0.070 0.000 3.100 223 E HA 0.224 4.575 4.350 0.002 0.000 0.191 223 E C -0.619 175.929 176.600 -0.087 0.000 1.097 223 E CA -0.075 56.274 56.400 -0.085 0.000 1.339 223 E CB 0.547 30.186 29.700 -0.102 0.000 1.330 223 E HN 0.005 nan 8.360 nan 0.000 0.511 224 K N 2.075 122.426 120.400 -0.081 0.000 2.292 224 K HA 0.226 4.547 4.320 0.002 0.000 0.270 224 K C 0.782 177.343 176.600 -0.064 0.000 1.062 224 K CA -0.125 56.115 56.287 -0.078 0.000 0.916 224 K CB 1.698 34.156 32.500 -0.069 0.000 1.166 224 K HN 0.060 nan 8.250 nan 0.000 0.458 225 V N 1.451 121.326 119.914 -0.064 0.000 2.439 225 V HA -0.214 3.907 4.120 0.002 0.000 0.253 225 V C 0.977 177.044 176.094 -0.045 0.000 1.074 225 V CA 1.861 64.129 62.300 -0.054 0.000 1.076 225 V CB -0.164 31.628 31.823 -0.051 0.000 0.664 225 V HN 0.602 nan 8.190 nan 0.000 0.461 226 S N -0.313 115.364 115.700 -0.038 0.000 2.525 226 S HA 0.387 4.858 4.470 0.002 0.000 0.242 226 S C -0.105 174.487 174.600 -0.014 0.000 1.164 226 S CA -0.376 57.809 58.200 -0.023 0.000 1.154 226 S CB -0.081 63.111 63.200 -0.014 0.000 0.875 226 S HN 0.562 nan 8.310 nan 0.000 0.482 227 K N 0.464 120.849 120.400 -0.026 0.000 2.532 227 K HA 0.489 4.810 4.320 0.002 0.000 0.265 227 K C -1.427 175.152 176.600 -0.035 0.000 0.948 227 K CA -0.763 55.515 56.287 -0.015 0.000 0.842 227 K CB 2.211 34.700 32.500 -0.018 0.000 1.392 227 K HN -0.090 nan 8.250 nan 0.000 0.436 228 V N 2.681 122.583 119.914 -0.020 0.000 2.318 228 V HA 0.176 4.297 4.120 0.002 0.000 0.271 228 V C -0.159 175.946 176.094 0.019 0.000 1.030 228 V CA -0.475 61.802 62.300 -0.038 0.000 0.844 228 V CB 0.968 32.684 31.823 -0.179 0.000 1.015 228 V HN 0.659 nan 8.190 nan 0.000 0.460 229 Q N 5.357 125.155 119.800 -0.003 0.000 2.230 229 Q HA 0.673 5.014 4.340 0.002 0.000 0.253 229 Q C -1.435 174.547 176.000 -0.030 0.000 0.919 229 Q CA -0.549 55.195 55.803 -0.098 0.000 0.908 229 Q CB 1.558 30.252 28.738 -0.074 0.000 1.245 229 Q HN 0.695 nan 8.270 nan 0.000 0.437 230 F N 0.238 120.115 119.950 -0.121 0.000 2.596 230 F HA 0.682 5.210 4.527 0.002 0.000 0.311 230 F C -1.162 174.526 175.800 -0.186 0.000 1.116 230 F CA -0.882 56.900 58.000 -0.363 0.000 0.957 230 F CB 1.369 39.923 39.000 -0.744 0.000 1.250 230 F HN 0.481 nan 8.300 nan 0.000 0.444 231 S N 2.176 117.872 115.700 -0.008 0.000 2.599 231 S HA 0.928 5.399 4.470 0.002 0.000 0.287 231 S C -1.665 172.943 174.600 0.013 0.000 1.105 231 S CA -0.803 57.417 58.200 0.034 0.000 0.899 231 S CB 1.901 65.073 63.200 -0.047 0.000 1.100 231 S HN 1.676 nan 8.310 nan 0.000 0.482 232 V N 0.502 120.446 119.914 0.051 0.000 2.969 232 V HA 0.510 4.631 4.120 0.002 0.000 0.304 232 V C -1.183 174.949 176.094 0.064 0.000 1.192 232 V CA -0.655 61.645 62.300 0.000 0.000 0.962 232 V CB 1.954 33.611 31.823 -0.278 0.000 1.045 232 V HN 1.144 nan 8.190 nan 0.000 0.428 233 E N 3.699 123.922 120.200 0.038 0.000 1.944 233 E HA 0.531 4.882 4.350 0.002 0.000 0.272 233 E C -0.480 176.016 176.600 -0.174 0.000 1.195 233 E CA 0.366 56.628 56.400 -0.230 0.000 0.926 233 E CB 0.376 29.910 29.700 -0.278 0.000 1.051 233 E HN 0.797 nan 8.360 nan 0.000 0.404 234 S N 3.030 118.637 115.700 -0.156 0.000 2.615 234 S HA 0.136 4.608 4.470 0.002 0.000 0.268 234 S C -0.236 174.383 174.600 0.032 0.000 1.146 234 S CA -0.703 57.433 58.200 -0.107 0.000 0.818 234 S CB 1.326 64.329 63.200 -0.328 0.000 1.111 234 S HN 0.493 nan 8.310 nan 0.000 0.465 235 E N 0.561 120.851 120.200 0.150 0.000 2.479 235 E HA 0.212 4.563 4.350 0.002 0.000 0.193 235 E C -0.624 176.171 176.600 0.325 0.000 1.049 235 E CA 0.443 57.014 56.400 0.285 0.000 0.870 235 E CB 0.213 30.104 29.700 0.318 0.000 0.944 235 E HN 0.580 nan 8.360 nan 0.000 0.492 236 Y N -1.882 118.528 120.300 0.185 0.000 2.571 236 Y HA 0.569 5.120 4.550 0.002 0.000 0.341 236 Y C -1.245 174.790 175.900 0.224 0.000 1.076 236 Y CA -1.391 56.821 58.100 0.185 0.000 1.029 236 Y CB 1.140 39.688 38.460 0.146 0.000 1.308 236 Y HN -0.265 nan 8.280 nan 0.000 0.461 237 L N 3.448 124.821 121.223 0.250 0.000 2.362 237 L HA 0.608 4.949 4.340 0.002 0.000 0.275 237 L C -1.342 175.796 176.870 0.447 0.000 0.998 237 L CA -0.368 54.636 54.840 0.273 0.000 0.820 237 L CB 1.777 43.988 42.059 0.254 0.000 1.270 237 L HN 1.079 nan 8.230 nan 0.000 0.415 238 E N 4.833 125.387 120.200 0.590 0.000 2.234 238 E HA 0.556 4.907 4.350 0.002 0.000 0.266 238 E C -1.968 174.701 176.600 0.115 0.000 0.877 238 E CA -0.490 56.030 56.400 0.200 0.000 0.758 238 E CB 1.890 31.672 29.700 0.137 0.000 1.170 238 E HN 0.519 nan 8.360 nan 0.000 0.415 239 Y N 1.220 121.419 120.300 -0.167 0.000 2.597 239 Y HA 0.679 5.230 4.550 0.002 0.000 0.340 239 Y C -1.807 173.837 175.900 -0.426 0.000 1.097 239 Y CA -1.496 56.489 58.100 -0.191 0.000 1.037 239 Y CB 0.985 39.450 38.460 0.008 0.000 1.305 239 Y HN 0.253 nan 8.280 nan 0.000 0.463 240 F N 1.444 121.553 119.950 0.265 0.000 2.477 240 F HA 0.606 5.134 4.527 0.002 0.000 0.335 240 F C -0.645 175.229 175.800 0.123 0.000 1.130 240 F CA -1.268 56.806 58.000 0.123 0.000 0.948 240 F CB 2.080 41.201 39.000 0.203 0.000 1.154 240 F HN 0.355 nan 8.300 nan 0.000 0.439 241 V N 5.339 125.349 119.914 0.160 0.000 2.406 241 V HA 0.313 4.434 4.120 0.002 0.000 0.272 241 V C 0.170 176.314 176.094 0.082 0.000 1.043 241 V CA -0.458 61.844 62.300 0.004 0.000 0.915 241 V CB 0.952 32.545 31.823 -0.382 0.000 0.988 241 V HN 0.537 nan 8.190 nan 0.000 0.466 242 I N 4.252 124.903 120.570 0.136 0.000 2.330 242 I HA 0.339 4.510 4.170 0.002 0.000 0.289 242 I C 0.068 176.267 176.117 0.136 0.000 1.001 242 I CA -0.330 61.049 61.300 0.132 0.000 1.193 242 I CB 1.516 39.646 38.000 0.217 0.000 1.345 242 I HN 0.558 nan 8.210 nan 0.000 0.461 243 D N 4.438 124.891 120.400 0.088 0.000 2.411 243 D HA 0.666 5.307 4.640 0.002 0.000 0.251 243 D C 0.072 176.414 176.300 0.070 0.000 1.201 243 D CA 0.006 54.060 54.000 0.092 0.000 0.996 243 D CB 1.441 42.275 40.800 0.057 0.000 1.101 243 D HN 0.728 nan 8.370 nan 0.000 0.504 244 G N 1.305 110.143 108.800 0.062 0.000 2.225 244 G HA2 0.034 3.995 3.960 0.002 0.000 0.184 244 G HA3 0.034 3.995 3.960 0.002 0.000 0.184 244 G C -1.855 173.068 174.900 0.038 0.000 2.549 244 G CA -0.313 44.809 45.100 0.036 0.000 0.925 244 G HN 0.337 nan 8.290 nan 0.000 0.550 245 P HA -0.215 nan 4.420 nan 0.000 0.222 245 P C 1.005 178.317 177.300 0.020 0.000 1.154 245 P CA 1.946 65.065 63.100 0.032 0.000 0.874 245 P CB 0.226 31.936 31.700 0.017 0.000 0.787 246 T N -2.219 112.336 114.554 0.001 0.000 2.925 246 T HA 0.397 4.748 4.350 0.002 0.000 0.285 246 T C -2.020 172.662 174.700 -0.030 0.000 1.021 246 T CA -2.434 59.654 62.100 -0.020 0.000 1.042 246 T CB 1.496 70.343 68.868 -0.036 0.000 1.037 246 T HN -0.233 nan 8.240 nan 0.000 0.481 247 P HA -0.017 nan 4.420 nan 0.000 0.215 247 P C 1.266 178.534 177.300 -0.054 0.000 1.153 247 P CA 0.975 64.029 63.100 -0.075 0.000 0.853 247 P CB 0.179 31.799 31.700 -0.132 0.000 0.788 248 K N -0.274 120.087 120.400 -0.065 0.000 2.097 248 K HA -0.077 4.244 4.320 0.002 0.000 0.206 248 K C 1.999 178.575 176.600 -0.040 0.000 1.049 248 K CA 1.532 57.782 56.287 -0.062 0.000 0.933 248 K CB -1.008 31.447 32.500 -0.076 0.000 0.717 248 K HN -0.045 nan 8.250 nan 0.000 0.442 249 A N -0.184 122.619 122.820 -0.029 0.000 2.015 249 A HA -0.072 4.249 4.320 0.002 0.000 0.219 249 A C 2.166 179.754 177.584 0.006 0.000 1.163 249 A CA 1.393 53.421 52.037 -0.016 0.000 0.646 249 A CB -0.448 18.546 19.000 -0.012 0.000 0.806 249 A HN 0.105 nan 8.150 nan 0.000 0.448 250 V N -0.035 119.894 119.914 0.024 0.000 2.307 250 V HA -0.188 3.933 4.120 0.002 0.000 0.245 250 V C 2.430 178.576 176.094 0.088 0.000 1.045 250 V CA 1.480 63.826 62.300 0.076 0.000 1.024 250 V CB -0.703 31.177 31.823 0.095 0.000 0.651 250 V HN 0.454 nan 8.190 nan 0.000 0.449 251 L N 0.312 121.563 121.223 0.046 0.000 2.131 251 L HA -0.170 4.171 4.340 0.002 0.000 0.210 251 L C 2.284 179.153 176.870 -0.002 0.000 1.092 251 L CA 1.978 56.830 54.840 0.021 0.000 0.759 251 L CB -1.537 40.508 42.059 -0.024 0.000 0.903 251 L HN 0.441 nan 8.230 nan 0.000 0.435 252 D N -0.090 120.299 120.400 -0.019 0.000 2.078 252 D HA -0.189 4.452 4.640 0.002 0.000 0.193 252 D C 2.334 178.608 176.300 -0.043 0.000 0.990 252 D CA 1.285 55.260 54.000 -0.042 0.000 0.827 252 D CB 0.144 40.920 40.800 -0.040 0.000 0.975 252 D HN 0.170 nan 8.370 nan 0.000 0.451 253 R N -1.001 119.489 120.500 -0.018 0.000 2.081 253 R HA -0.178 4.163 4.340 0.002 0.000 0.235 253 R C 2.498 178.787 176.300 -0.019 0.000 1.131 253 R CA 1.285 57.367 56.100 -0.030 0.000 0.960 253 R CB -0.710 29.579 30.300 -0.019 0.000 0.856 253 R HN 0.382 nan 8.270 nan 0.000 0.436 254 Y N 1.973 122.211 120.300 -0.103 0.000 2.128 254 Y HA -0.273 4.278 4.550 0.002 0.000 0.284 254 Y C 2.602 178.380 175.900 -0.203 0.000 1.154 254 Y CA 2.218 60.213 58.100 -0.174 0.000 1.149 254 Y CB -0.304 37.872 38.460 -0.472 0.000 0.976 254 Y HN 0.137 nan 8.280 nan 0.000 0.505 255 T N -1.335 113.038 114.554 -0.302 0.000 2.904 255 T HA -0.175 4.176 4.350 0.002 0.000 0.267 255 T C 1.980 176.494 174.700 -0.310 0.000 1.059 255 T CA 1.236 63.104 62.100 -0.386 0.000 1.137 255 T CB -0.517 68.210 68.868 -0.234 0.000 0.879 255 T HN 0.433 nan 8.240 nan 0.000 0.467 256 R N -0.034 120.352 120.500 -0.189 0.000 2.120 256 R HA 0.016 4.357 4.340 0.002 0.000 0.234 256 R C 2.207 178.448 176.300 -0.098 0.000 1.123 256 R CA 1.109 57.131 56.100 -0.130 0.000 0.975 256 R CB -0.485 29.763 30.300 -0.087 0.000 0.866 256 R HN 0.559 nan 8.270 nan 0.000 0.446 257 F N 0.621 120.362 119.950 -0.349 0.000 2.163 257 F HA -0.145 4.383 4.527 0.002 0.000 0.297 257 F C 1.967 177.501 175.800 -0.442 0.000 1.094 257 F CA 1.500 59.271 58.000 -0.382 0.000 1.290 257 F CB 0.179 38.923 39.000 -0.426 0.000 1.017 257 F HN 0.193 nan 8.300 nan 0.000 0.483 258 T N -2.488 111.683 114.554 -0.640 0.000 3.010 258 T HA 0.490 4.841 4.350 0.002 0.000 0.257 258 T C 0.459 174.828 174.700 -0.552 0.000 1.020 258 T CA 0.308 61.959 62.100 -0.748 0.000 0.938 258 T CB 0.596 68.847 68.868 -1.029 0.000 1.049 258 T HN 0.438 nan 8.240 nan 0.000 0.522 259 G N 1.347 109.867 108.800 -0.465 0.000 2.542 259 G HA2 0.233 4.194 3.960 0.002 0.000 0.391 259 G HA3 0.233 4.194 3.960 0.002 0.000 0.391 259 G C -1.320 173.348 174.900 -0.387 0.000 1.551 259 G CA -1.266 43.595 45.100 -0.398 0.000 0.946 259 G HN 0.297 nan 8.290 nan 0.000 0.662 260 R N 1.651 121.974 120.500 -0.296 0.000 2.357 260 R HA 0.464 4.805 4.340 0.002 0.000 0.296 260 R C -2.422 173.724 176.300 -0.256 0.000 1.052 260 R CA -1.866 54.092 56.100 -0.237 0.000 0.988 260 R CB 0.881 31.090 30.300 -0.151 0.000 1.025 260 R HN 0.305 nan 8.270 nan 0.000 0.469 261 P HA 0.055 nan 4.420 nan 0.000 0.271 261 P C -0.648 176.637 177.300 -0.025 0.000 1.216 261 P CA 0.120 63.145 63.100 -0.124 0.000 0.771 261 P CB 0.739 32.437 31.700 -0.004 0.000 0.864 262 A N 3.311 126.085 122.820 -0.077 0.000 2.304 262 A HA 0.391 4.712 4.320 0.002 0.000 0.271 262 A C -0.424 177.199 177.584 0.065 0.000 1.091 262 A CA -0.318 51.724 52.037 0.010 0.000 0.812 262 A CB -0.090 18.932 19.000 0.036 0.000 1.056 262 A HN 0.562 nan 8.150 nan 0.000 0.489 263 L N 2.696 123.968 121.223 0.082 0.000 2.268 263 L HA 0.449 4.790 4.340 0.002 0.000 0.289 263 L C -2.281 174.594 176.870 0.007 0.000 1.064 263 L CA -1.804 53.050 54.840 0.023 0.000 0.824 263 L CB 0.387 42.481 42.059 0.058 0.000 1.202 263 L HN 0.349 nan 8.230 nan 0.000 0.433 264 P HA 0.215 nan 4.420 nan 0.000 0.270 264 P C -2.630 174.785 177.300 0.193 0.000 1.223 264 P CA -1.066 62.005 63.100 -0.048 0.000 0.785 264 P CB -0.124 31.413 31.700 -0.271 0.000 0.923 265 P HA 0.012 nan 4.420 nan 0.000 0.271 265 P C 0.537 177.860 177.300 0.038 0.000 1.220 265 P CA 0.329 63.383 63.100 -0.077 0.000 0.768 265 P CB 0.337 31.722 31.700 -0.525 0.000 0.848 266 A N 5.422 128.338 122.820 0.159 0.000 1.958 266 A HA -0.187 4.134 4.320 0.002 0.000 0.221 266 A C 1.790 179.539 177.584 0.275 0.000 1.178 266 A CA 1.754 53.873 52.037 0.137 0.000 0.642 266 A CB -1.621 17.327 19.000 -0.087 0.000 0.816 266 A HN 0.839 nan 8.150 nan 0.000 0.453 267 W N 0.515 121.948 121.300 0.223 0.000 2.525 267 W HA -0.085 4.576 4.660 0.002 0.000 0.259 267 W C 1.683 178.344 176.519 0.236 0.000 1.253 267 W CA 1.161 58.605 57.345 0.164 0.000 1.262 267 W CB -1.262 28.237 29.460 0.065 0.000 1.122 267 W HN 0.531 nan 8.180 nan 0.000 0.607 268 S N 0.320 115.977 115.700 -0.071 0.000 2.489 268 S HA -0.104 4.367 4.470 0.002 0.000 0.228 268 S C 1.224 176.092 174.600 0.447 0.000 0.995 268 S CA 0.362 58.654 58.200 0.154 0.000 0.934 268 S CB -1.250 61.876 63.200 -0.124 0.000 0.771 268 S HN 0.099 nan 8.310 nan 0.000 0.522 269 F N 2.876 122.902 119.950 0.128 0.000 2.804 269 F HA 0.409 4.937 4.527 0.002 0.000 0.303 269 F C 1.681 177.536 175.800 0.092 0.000 1.154 269 F CA -0.573 57.403 58.000 -0.039 0.000 1.401 269 F CB -0.748 38.217 39.000 -0.060 0.000 1.106 269 F HN 0.308 nan 8.300 nan 0.000 0.568 270 G N -0.210 108.783 108.800 0.321 0.000 2.525 270 G HA2 0.354 4.315 3.960 0.002 0.000 0.287 270 G HA3 0.354 4.315 3.960 0.002 0.000 0.287 270 G C -0.686 174.479 174.900 0.441 0.000 1.350 270 G CA -0.715 44.463 45.100 0.130 0.000 1.039 270 G HN 0.016 nan 8.290 nan 0.000 0.513 271 L N 0.659 122.232 121.223 0.582 0.000 2.385 271 L HA 0.207 4.548 4.340 0.002 0.000 0.281 271 L C -0.598 176.575 176.870 0.504 0.000 1.106 271 L CA -0.531 54.622 54.840 0.521 0.000 0.856 271 L CB 0.171 42.487 42.059 0.428 0.000 1.186 271 L HN 0.460 nan 8.230 nan 0.000 0.453 272 W N 5.743 127.140 121.300 0.161 0.000 2.303 272 W HA 0.444 5.105 4.660 0.002 0.000 0.334 272 W C -0.129 176.404 176.519 0.022 0.000 1.197 272 W CA -0.389 56.987 57.345 0.052 0.000 1.262 272 W CB 0.780 30.184 29.460 -0.093 0.000 1.153 272 W HN 0.188 nan 8.180 nan 0.000 0.596 273 L N 2.806 124.132 121.223 0.172 0.000 2.464 273 L HA 0.554 4.895 4.340 0.002 0.000 0.266 273 L C -1.036 175.733 176.870 -0.169 0.000 0.965 273 L CA -0.192 54.708 54.840 0.101 0.000 0.833 273 L CB 1.747 43.955 42.059 0.249 0.000 1.296 273 L HN 0.468 nan 8.230 nan 0.000 0.405 274 T N 2.469 116.883 114.554 -0.234 0.000 2.893 274 T HA 0.461 4.812 4.350 0.002 0.000 0.291 274 T C -0.530 173.973 174.700 -0.328 0.000 1.028 274 T CA -0.089 61.748 62.100 -0.438 0.000 0.995 274 T CB 1.509 70.136 68.868 -0.403 0.000 1.051 274 T HN 0.767 nan 8.240 nan 0.000 0.470 275 T N 2.566 116.905 114.554 -0.359 0.000 2.904 275 T HA 0.421 4.772 4.350 0.002 0.000 0.290 275 T C 0.252 174.928 174.700 -0.040 0.000 1.018 275 T CA -0.276 61.613 62.100 -0.352 0.000 1.075 275 T CB 0.231 68.881 68.868 -0.363 0.000 0.986 275 T HN 0.741 nan 8.240 nan 0.000 0.523 276 S N 3.338 119.070 115.700 0.052 0.000 2.642 276 S HA 0.022 4.493 4.470 0.002 0.000 0.308 276 S C -0.015 174.685 174.600 0.166 0.000 1.255 276 S CA -0.210 58.086 58.200 0.160 0.000 1.057 276 S CB -0.448 62.800 63.200 0.081 0.000 0.785 276 S HN 0.584 nan 8.310 nan 0.000 0.500 277 F N 4.582 124.612 119.950 0.134 0.000 2.579 277 F HA 0.021 4.549 4.527 0.002 0.000 0.397 277 F C 1.741 177.522 175.800 -0.031 0.000 1.027 277 F CA 1.108 59.166 58.000 0.096 0.000 1.217 277 F CB -0.588 38.509 39.000 0.162 0.000 0.986 277 F HN 0.996 nan 8.300 nan 0.000 0.551 278 T N 0.465 114.606 114.554 -0.688 0.000 5.658 278 T HA -0.266 4.085 4.350 0.002 0.000 0.271 278 T C 0.666 174.931 174.700 -0.726 0.000 2.170 278 T CA 1.309 62.822 62.100 -0.979 0.000 3.657 278 T CB -2.874 65.317 68.868 -1.129 0.000 0.929 278 T HN 1.197 nan 8.240 nan 0.000 1.134 279 T N -2.035 112.181 114.554 -0.562 0.000 3.069 279 T HA 0.265 4.616 4.350 0.002 0.000 0.252 279 T C 0.631 174.780 174.700 -0.919 0.000 1.053 279 T CA 0.025 61.605 62.100 -0.867 0.000 0.964 279 T CB -0.039 68.594 68.868 -0.392 0.000 1.005 279 T HN 0.446 nan 8.240 nan 0.000 0.532 280 N N 2.258 120.700 118.700 -0.430 0.000 2.892 280 N HA 0.101 4.842 4.740 0.002 0.000 0.300 280 N C -0.093 175.354 175.510 -0.104 0.000 1.211 280 N CA 0.011 53.027 53.050 -0.056 0.000 1.158 280 N CB -0.099 38.587 38.487 0.331 0.000 1.455 280 N HN 0.437 nan 8.380 nan 0.000 0.524 281 Y N 0.536 120.868 120.300 0.055 0.000 2.242 281 Y HA -0.147 4.404 4.550 0.002 0.000 0.291 281 Y C 0.739 176.625 175.900 -0.023 0.000 1.137 281 Y CA 0.444 58.530 58.100 -0.023 0.000 1.181 281 Y CB 0.109 38.561 38.460 -0.014 0.000 0.989 281 Y HN 0.408 nan 8.280 nan 0.000 0.527 282 D N -3.933 116.633 120.400 0.276 0.000 2.827 282 D HA 0.013 4.654 4.640 0.002 0.000 0.336 282 D C 0.473 177.079 176.300 0.511 0.000 1.374 282 D CA -0.476 53.742 54.000 0.363 0.000 0.794 282 D CB 0.050 40.980 40.800 0.215 0.000 1.364 282 D HN -0.065 nan 8.370 nan 0.000 0.464 283 E N -0.271 120.198 120.200 0.449 0.000 2.085 283 E HA -0.227 4.124 4.350 0.002 0.000 0.194 283 E C 1.876 178.565 176.600 0.147 0.000 0.994 283 E CA 1.725 58.277 56.400 0.254 0.000 0.801 283 E CB -0.254 29.534 29.700 0.147 0.000 0.743 283 E HN 0.463 nan 8.360 nan 0.000 0.453 284 A N 0.604 123.508 122.820 0.140 0.000 1.851 284 A HA -0.240 4.082 4.320 0.002 0.000 0.216 284 A C 2.513 180.159 177.584 0.104 0.000 1.195 284 A CA 2.781 54.875 52.037 0.095 0.000 0.622 284 A CB -1.516 17.536 19.000 0.088 0.000 0.831 284 A HN 0.547 nan 8.150 nan 0.000 0.444 285 T N -2.280 112.367 114.554 0.155 0.000 2.803 285 T HA -0.124 4.227 4.350 0.002 0.000 0.269 285 T C 1.640 176.423 174.700 0.139 0.000 1.052 285 T CA 1.686 63.888 62.100 0.170 0.000 1.136 285 T CB -0.773 68.236 68.868 0.234 0.000 0.864 285 T HN 0.090 nan 8.240 nan 0.000 0.467 286 V N 2.280 122.255 119.914 0.102 0.000 2.379 286 V HA -0.090 4.031 4.120 0.002 0.000 0.245 286 V C 2.839 178.863 176.094 -0.115 0.000 1.044 286 V CA 1.608 63.878 62.300 -0.050 0.000 1.036 286 V CB -0.691 31.073 31.823 -0.098 0.000 0.664 286 V HN 0.504 nan 8.190 nan 0.000 0.453 287 N N -0.044 118.621 118.700 -0.058 0.000 2.270 287 N HA -0.123 4.618 4.740 0.002 0.000 0.181 287 N C 2.158 177.656 175.510 -0.020 0.000 1.016 287 N CA 1.603 54.611 53.050 -0.070 0.000 0.870 287 N CB -0.120 38.339 38.487 -0.046 0.000 0.979 287 N HN 0.437 nan 8.380 nan 0.000 0.431 288 S N -0.056 115.662 115.700 0.029 0.000 2.399 288 S HA -0.089 4.382 4.470 0.002 0.000 0.231 288 S C 1.751 176.375 174.600 0.041 0.000 1.022 288 S CA 0.623 58.844 58.200 0.035 0.000 0.983 288 S CB -0.272 62.965 63.200 0.062 0.000 0.803 288 S HN 0.315 nan 8.310 nan 0.000 0.480 289 F N 1.699 121.617 119.950 -0.053 0.000 2.187 289 F HA 0.220 4.749 4.527 0.002 0.000 0.295 289 F C 1.823 177.581 175.800 -0.070 0.000 1.091 289 F CA 1.109 59.085 58.000 -0.041 0.000 1.308 289 F CB -0.264 38.724 39.000 -0.021 0.000 1.030 289 F HN 0.192 nan 8.300 nan 0.000 0.487 290 I N 0.091 120.740 120.570 0.131 0.000 2.315 290 I HA -0.262 3.909 4.170 0.002 0.000 0.248 290 I C 1.677 177.763 176.117 -0.052 0.000 1.117 290 I CA 1.304 62.611 61.300 0.012 0.000 1.404 290 I CB -0.530 37.383 38.000 -0.145 0.000 1.071 290 I HN 0.071 nan 8.210 nan 0.000 0.419 291 D N 1.091 121.454 120.400 -0.061 0.000 2.183 291 D HA -0.029 4.613 4.640 0.002 0.000 0.203 291 D C 1.351 177.599 176.300 -0.086 0.000 0.969 291 D CA 0.744 54.703 54.000 -0.067 0.000 0.842 291 D CB -0.501 40.267 40.800 -0.054 0.000 0.957 291 D HN 0.296 nan 8.370 nan 0.000 0.484 295 E N 0.496 120.665 120.200 -0.052 0.000 2.265 295 E HA -0.047 4.304 4.350 0.002 0.000 0.196 295 E C 1.136 177.716 176.600 -0.034 0.000 0.996 295 E CA 0.698 57.072 56.400 -0.043 0.000 0.832 295 E CB -0.040 29.631 29.700 -0.049 0.000 0.756 295 E HN 0.392 nan 8.360 nan 0.000 0.491 296 R N 0.694 121.173 120.500 -0.035 0.000 2.507 296 R HA 0.130 4.471 4.340 0.002 0.000 0.298 296 R C -0.214 176.084 176.300 -0.004 0.000 0.999 296 R CA -0.141 55.948 56.100 -0.018 0.000 1.082 296 R CB 0.255 30.542 30.300 -0.021 0.000 1.246 296 R HN 0.104 nan 8.270 nan 0.000 0.553 297 N N 0.977 119.670 118.700 -0.011 0.000 2.727 297 N HA -0.190 4.551 4.740 0.002 0.000 0.249 297 N C -1.135 174.380 175.510 0.008 0.000 1.048 297 N CA 0.758 53.805 53.050 -0.006 0.000 0.714 297 N CB -0.709 37.778 38.487 -0.001 0.000 0.959 297 N HN 0.078 nan 8.380 nan 0.000 0.544 298 L N 1.091 122.317 121.223 0.005 0.000 2.276 298 L HA 0.415 4.756 4.340 0.002 0.000 0.286 298 L C -1.755 175.117 176.870 0.003 0.000 1.024 298 L CA -1.691 53.166 54.840 0.028 0.000 0.826 298 L CB 0.823 42.907 42.059 0.042 0.000 1.211 298 L HN -0.115 nan 8.230 nan 0.000 0.422 299 P HA 0.181 nan 4.420 nan 0.000 0.263 299 P C -0.810 176.359 177.300 -0.218 0.000 1.195 299 P CA 0.065 63.109 63.100 -0.094 0.000 0.762 299 P CB 0.538 32.288 31.700 0.085 0.000 0.799 300 L N 4.019 124.988 121.223 -0.422 0.000 2.385 300 L HA 0.350 4.692 4.340 0.002 0.000 0.273 300 L C 0.163 176.706 176.870 -0.546 0.000 0.990 300 L CA -0.463 54.197 54.840 -0.301 0.000 0.821 300 L CB 1.556 43.572 42.059 -0.071 0.000 1.279 300 L HN 0.533 nan 8.230 nan 0.000 0.412 301 H N 2.463 121.566 119.070 0.056 0.000 3.017 301 H HA 0.343 4.900 4.556 0.002 0.000 0.255 301 H C -0.651 174.610 175.328 -0.112 0.000 0.990 301 H CA -0.108 55.946 56.048 0.010 0.000 1.205 301 H CB 1.066 30.888 29.762 0.099 0.000 1.460 301 H HN 0.212 nan 8.280 nan 0.000 0.478 302 V N 1.130 120.992 119.914 -0.087 0.000 2.686 302 V HA 0.239 4.360 4.120 0.002 0.000 0.306 302 V C -1.532 174.461 176.094 -0.168 0.000 1.065 302 V CA -0.953 61.142 62.300 -0.342 0.000 0.894 302 V CB 2.547 33.732 31.823 -1.063 0.000 1.004 302 V HN 0.100 nan 8.190 nan 0.000 0.424 303 F N 3.634 123.404 119.950 -0.301 0.000 2.482 303 F HA 0.727 5.255 4.527 0.002 0.000 0.331 303 F C -0.374 175.277 175.800 -0.248 0.000 1.115 303 F CA -0.522 57.322 58.000 -0.259 0.000 0.955 303 F CB 1.463 40.279 39.000 -0.307 0.000 1.136 303 F HN 0.702 nan 8.300 nan 0.000 0.452 304 H N 4.926 123.266 119.070 -1.217 0.000 2.469 304 H HA 0.475 5.032 4.556 0.002 0.000 0.342 304 H C -1.709 173.018 175.328 -1.002 0.000 1.115 304 H CA -0.669 54.896 56.048 -0.804 0.000 1.204 304 H CB 0.913 30.388 29.762 -0.477 0.000 1.492 304 H HN 0.486 nan 8.280 nan 0.000 0.499 305 F N 4.371 123.693 119.950 -1.048 0.000 2.405 305 F HA 0.162 4.690 4.527 0.002 0.000 0.355 305 F C 0.344 175.841 175.800 -0.505 0.000 1.121 305 F CA -0.584 57.085 58.000 -0.550 0.000 1.112 305 F CB 0.637 39.444 39.000 -0.321 0.000 1.126 305 F HN 0.704 nan 8.300 nan 0.000 0.481 306 D N 1.294 121.726 120.400 0.053 0.000 2.380 306 D HA -0.032 4.609 4.640 0.002 0.000 0.254 306 D C 1.268 177.677 176.300 0.183 0.000 1.288 306 D CA -0.456 53.663 54.000 0.199 0.000 1.008 306 D CB -0.070 40.919 40.800 0.314 0.000 1.099 306 D HN 0.525 nan 8.370 nan 0.000 0.537 307 C N -1.476 117.621 119.300 -0.340 0.000 2.391 307 C HA -0.164 4.297 4.460 0.002 0.000 0.276 307 C C 2.346 176.776 174.990 -0.934 0.000 1.217 307 C CA 0.220 58.490 59.018 -1.246 0.000 1.766 307 C CB -1.580 24.808 27.740 -2.253 0.000 2.046 307 C HN 0.533 nan 8.230 nan 0.000 0.475 308 F N 1.342 121.127 119.950 -0.275 0.000 2.788 308 F HA 0.041 4.569 4.527 0.002 0.000 0.300 308 F C 1.593 177.427 175.800 0.057 0.000 1.229 308 F CA -0.128 57.849 58.000 -0.039 0.000 1.446 308 F CB -0.613 38.353 39.000 -0.057 0.000 1.118 308 F HN 0.571 nan 8.300 nan 0.000 0.579 312 A N 1.551 124.088 122.820 -0.471 0.000 2.483 312 A HA 0.415 4.736 4.320 0.002 0.000 0.238 312 A C 0.424 177.448 177.584 -0.934 0.000 1.070 312 A CA 0.739 52.126 52.037 -1.083 0.000 0.770 312 A CB -0.837 17.520 19.000 -1.073 0.000 1.008 312 A HN 0.868 nan 8.150 nan 0.000 0.497 313 F N -1.631 117.668 119.950 -1.085 0.000 2.748 313 F HA -0.291 4.237 4.527 0.002 0.000 0.370 313 F C 1.412 176.908 175.800 -0.507 0.000 0.620 313 F CA 1.219 58.783 58.000 -0.725 0.000 1.233 313 F CB -1.290 37.425 39.000 -0.474 0.000 1.708 313 F HN 0.811 nan 8.300 nan 0.000 0.298 314 Q N -0.909 118.705 119.800 -0.310 0.000 2.144 314 Q HA 0.150 4.491 4.340 0.002 0.000 0.305 314 Q C -0.672 175.358 176.000 0.049 0.000 0.876 314 Q CA -0.644 55.105 55.803 -0.090 0.000 1.130 314 Q CB 0.109 28.824 28.738 -0.038 0.000 1.267 314 Q HN 0.270 nan 8.270 nan 0.000 0.433 315 W N 0.803 122.024 121.300 -0.131 0.000 2.489 315 W HA 0.157 4.818 4.660 0.002 0.000 0.327 315 W C 0.438 177.010 176.519 0.087 0.000 1.436 315 W CA -0.537 56.759 57.345 -0.081 0.000 1.315 315 W CB 0.133 29.540 29.460 -0.089 0.000 1.373 315 W HN 0.485 nan 8.180 nan 0.000 0.557 316 C N 4.787 124.180 119.300 0.155 0.000 4.521 316 C HA -0.236 4.225 4.460 0.002 0.000 0.317 316 C C 1.001 175.974 174.990 -0.028 0.000 1.165 316 C CA 0.692 59.609 59.018 -0.168 0.000 2.281 316 C CB -2.088 25.647 27.740 -0.008 0.000 1.244 316 C HN 0.724 nan 8.230 nan 0.000 0.696 317 D N -0.753 119.654 120.400 0.011 0.000 2.469 317 D HA 0.190 4.831 4.640 0.002 0.000 0.213 317 D C 0.783 177.357 176.300 0.457 0.000 1.135 317 D CA -0.073 54.162 54.000 0.392 0.000 0.834 317 D CB -0.381 40.601 40.800 0.304 0.000 1.009 317 D HN 0.559 nan 8.370 nan 0.000 0.507 318 F N 0.779 120.811 119.950 0.136 0.000 3.074 318 F HA -0.217 4.311 4.527 0.002 0.000 0.289 318 F C -0.299 175.576 175.800 0.125 0.000 0.863 318 F CA 0.495 58.557 58.000 0.103 0.000 1.121 318 F CB -2.313 36.753 39.000 0.110 0.000 1.169 318 F HN 0.022 nan 8.300 nan 0.000 0.570 319 E N -0.329 119.951 120.200 0.133 0.000 2.133 319 E HA 0.261 4.612 4.350 0.002 0.000 0.274 319 E C -0.367 176.332 176.600 0.165 0.000 0.930 319 E CA -0.972 55.562 56.400 0.222 0.000 0.770 319 E CB 0.701 30.518 29.700 0.196 0.000 1.104 319 E HN 0.210 nan 8.360 nan 0.000 0.403 320 W N 2.145 123.628 121.300 0.305 0.000 2.158 320 W HA -0.010 4.651 4.660 0.002 0.000 0.339 320 W C 0.874 177.518 176.519 0.210 0.000 1.294 320 W CA 0.111 57.678 57.345 0.370 0.000 1.231 320 W CB 0.332 30.036 29.460 0.407 0.000 1.143 320 W HN 0.373 nan 8.180 nan 0.000 0.571 321 D N 3.716 124.363 120.400 0.412 0.000 2.338 321 D HA 0.070 4.711 4.640 0.002 0.000 0.255 321 D C -1.512 174.920 176.300 0.220 0.000 1.237 321 D CA -1.728 52.399 54.000 0.212 0.000 0.883 321 D CB 1.399 42.260 40.800 0.101 0.000 1.087 321 D HN -0.008 nan 8.370 nan 0.000 0.485 322 P HA -0.094 nan 4.420 nan 0.000 0.214 322 P C 1.593 178.947 177.300 0.090 0.000 1.163 322 P CA 0.879 64.063 63.100 0.139 0.000 0.883 322 P CB 0.166 31.930 31.700 0.107 0.000 0.788 323 L N -1.861 119.396 121.223 0.056 0.000 2.447 323 L HA -0.128 4.213 4.340 0.002 0.000 0.225 323 L C 1.713 178.580 176.870 -0.006 0.000 1.148 323 L CA 1.294 56.149 54.840 0.025 0.000 0.808 323 L CB -1.053 41.015 42.059 0.015 0.000 0.928 323 L HN 0.108 nan 8.230 nan 0.000 0.448 324 T N -1.975 112.551 114.554 -0.046 0.000 3.114 324 T HA 0.176 4.527 4.350 0.002 0.000 0.240 324 T C 0.370 174.937 174.700 -0.222 0.000 0.983 324 T CA 0.184 62.140 62.100 -0.239 0.000 1.151 324 T CB 0.164 68.728 68.868 -0.507 0.000 0.974 324 T HN -0.007 nan 8.240 nan 0.000 0.442 325 F N 1.817 121.890 119.950 0.205 0.000 2.453 325 F HA 0.350 4.878 4.527 0.002 0.000 0.358 325 F C -2.092 173.741 175.800 0.056 0.000 1.129 325 F CA -2.396 55.684 58.000 0.135 0.000 1.200 325 F CB 1.761 40.887 39.000 0.209 0.000 1.431 325 F HN 0.048 nan 8.300 nan 0.000 0.503 326 P HA -0.166 nan 4.420 nan 0.000 0.216 326 P C 0.015 177.329 177.300 0.025 0.000 1.153 326 P CA 1.430 64.585 63.100 0.092 0.000 0.848 326 P CB 0.257 31.998 31.700 0.068 0.000 0.787 327 D N -2.094 118.297 120.400 -0.015 0.000 2.432 327 D HA 0.183 4.824 4.640 0.002 0.000 0.265 327 D C -1.845 174.302 176.300 -0.256 0.000 1.160 327 D CA -2.264 51.669 54.000 -0.112 0.000 0.911 327 D CB 0.418 41.170 40.800 -0.080 0.000 1.052 327 D HN -0.129 nan 8.370 nan 0.000 0.508 328 P HA -0.130 nan 4.420 nan 0.000 0.211 328 P C 1.139 178.036 177.300 -0.671 0.000 1.179 328 P CA 0.790 63.336 63.100 -0.922 0.000 0.910 328 P CB 0.316 31.161 31.700 -1.426 0.000 0.785 329 E N -0.117 119.809 120.200 -0.457 0.000 2.153 329 E HA -0.053 4.298 4.350 0.002 0.000 0.194 329 E C 1.274 177.731 176.600 -0.239 0.000 0.988 329 E CA 0.489 56.704 56.400 -0.308 0.000 0.811 329 E CB -0.627 28.945 29.700 -0.214 0.000 0.746 329 E HN 0.141 nan 8.360 nan 0.000 0.466 333 R N 1.756 122.166 120.500 -0.150 0.000 2.096 333 R HA 0.040 4.382 4.340 0.002 0.000 0.235 333 R C 2.047 178.278 176.300 -0.116 0.000 1.127 333 R CA 1.529 57.552 56.100 -0.129 0.000 0.968 333 R CB -0.445 29.783 30.300 -0.120 0.000 0.861 333 R HN 0.271 nan 8.270 nan 0.000 0.440 334 R N -0.105 120.328 120.500 -0.112 0.000 2.096 334 R HA -0.045 4.296 4.340 0.002 0.000 0.235 334 R C 2.139 178.375 176.300 -0.106 0.000 1.127 334 R CA 1.285 57.326 56.100 -0.099 0.000 0.968 334 R CB -0.384 29.861 30.300 -0.091 0.000 0.861 334 R HN 0.203 nan 8.270 nan 0.000 0.440 335 L N 0.482 121.637 121.223 -0.114 0.000 2.093 335 L HA -0.150 4.191 4.340 0.002 0.000 0.208 335 L C 2.060 178.853 176.870 -0.128 0.000 1.085 335 L CA 1.354 56.118 54.840 -0.126 0.000 0.755 335 L CB -0.249 41.740 42.059 -0.116 0.000 0.904 335 L HN 0.100 nan 8.230 nan 0.000 0.435 336 K N 0.075 120.397 120.400 -0.130 0.000 2.432 336 K HA 0.035 4.356 4.320 0.002 0.000 0.196 336 K C 2.147 178.669 176.600 -0.130 0.000 1.038 336 K CA 0.716 56.916 56.287 -0.146 0.000 0.986 336 K CB -0.029 32.375 32.500 -0.161 0.000 0.782 336 K HN 0.226 nan 8.250 nan 0.000 0.485 337 A N 1.992 124.744 122.820 -0.113 0.000 1.940 337 A HA -0.145 4.176 4.320 0.002 0.000 0.219 337 A C 1.324 178.851 177.584 -0.095 0.000 1.176 337 A CA 1.198 53.176 52.037 -0.098 0.000 0.631 337 A CB -0.110 18.838 19.000 -0.087 0.000 0.814 337 A HN 0.022 nan 8.150 nan 0.000 0.446 338 K N -0.180 120.159 120.400 -0.102 0.000 2.144 338 K HA 0.320 4.641 4.320 0.002 0.000 0.270 338 K C 1.360 177.893 176.600 -0.110 0.000 1.005 338 K CA 0.293 56.521 56.287 -0.098 0.000 0.932 338 K CB 1.050 33.489 32.500 -0.102 0.000 1.021 338 K HN 0.090 nan 8.250 nan 0.000 0.462 339 G N 3.728 112.469 108.800 -0.098 0.000 2.681 339 G HA2 -0.250 3.711 3.960 0.002 0.000 0.224 339 G HA3 -0.250 3.711 3.960 0.002 0.000 0.224 339 G C 0.809 175.624 174.900 -0.142 0.000 1.100 339 G CA 0.551 45.590 45.100 -0.102 0.000 0.743 339 G HN 0.616 nan 8.290 nan 0.000 0.612 340 L N 0.497 121.635 121.223 -0.141 0.000 2.742 340 L HA -0.043 4.298 4.340 0.002 0.000 0.297 340 L C 0.512 177.232 176.870 -0.250 0.000 1.238 340 L CA 0.498 55.238 54.840 -0.167 0.000 0.895 340 L CB 0.203 42.180 42.059 -0.137 0.000 1.166 340 L HN 0.117 nan 8.230 nan 0.000 0.494 341 K N 3.503 123.701 120.400 -0.336 0.000 2.118 341 K HA 0.566 4.887 4.320 0.002 0.000 0.254 341 K C -0.655 175.723 176.600 -0.371 0.000 0.961 341 K CA -0.878 55.093 56.287 -0.527 0.000 0.876 341 K CB 2.116 34.044 32.500 -0.953 0.000 1.077 341 K HN 0.229 nan 8.250 nan 0.000 0.440 342 I N 0.815 121.184 120.570 -0.334 0.000 2.474 342 I HA 0.241 4.412 4.170 0.002 0.000 0.294 342 I C -0.453 175.532 176.117 -0.220 0.000 1.005 342 I CA -0.598 60.587 61.300 -0.192 0.000 1.113 342 I CB 1.614 39.569 38.000 -0.076 0.000 1.289 342 I HN 0.528 nan 8.210 nan 0.000 0.436 343 C N 7.239 126.447 119.300 -0.153 0.000 2.626 343 C HA 0.902 5.363 4.460 0.002 0.000 0.310 343 C C -0.750 174.202 174.990 -0.062 0.000 1.191 343 C CA -0.386 58.581 59.018 -0.084 0.000 1.517 343 C CB 0.664 28.443 27.740 0.064 0.000 2.102 343 C HN 0.691 nan 8.230 nan 0.000 0.479 344 V N 2.765 122.658 119.914 -0.036 0.000 2.914 344 V HA 0.716 4.837 4.120 0.002 0.000 0.314 344 V C -0.745 175.508 176.094 0.264 0.000 1.084 344 V CA -0.845 61.381 62.300 -0.123 0.000 0.963 344 V CB 1.535 33.069 31.823 -0.481 0.000 1.025 344 V HN 1.099 nan 8.190 nan 0.000 0.432 345 W N 5.516 126.922 121.300 0.177 0.000 2.218 345 W HA 0.745 5.406 4.660 0.002 0.000 0.326 345 W C -0.282 176.489 176.519 0.421 0.000 1.276 345 W CA 0.005 57.578 57.345 0.380 0.000 1.210 345 W CB 0.890 30.529 29.460 0.299 0.000 1.143 345 W HN 0.908 nan 8.180 nan 0.000 0.563 346 I N 3.633 123.912 120.570 -0.486 0.000 3.181 346 I HA 0.648 4.819 4.170 0.002 0.000 0.311 346 I C -1.303 174.258 176.117 -0.926 0.000 1.287 346 I CA -1.206 59.783 61.300 -0.518 0.000 0.958 346 I CB 2.225 40.236 38.000 0.018 0.000 1.294 346 I HN 0.622 nan 8.210 nan 0.000 0.467 347 N N 1.022 119.466 118.700 -0.427 0.000 3.046 347 N HA 0.492 5.233 4.740 0.002 0.000 0.243 347 N C -2.869 172.622 175.510 -0.030 0.000 1.452 347 N CA -1.592 51.314 53.050 -0.239 0.000 0.882 347 N CB 1.516 39.769 38.487 -0.389 0.000 1.425 347 N HN 0.426 nan 8.380 nan 0.000 0.517 348 P HA 0.161 nan 4.420 nan 0.000 0.255 348 P C -0.900 176.552 177.300 0.254 0.000 1.357 348 P CA 0.555 63.562 63.100 -0.156 0.000 0.839 348 P CB -0.286 31.096 31.700 -0.530 0.000 1.356 349 Y N -0.174 120.320 120.300 0.324 0.000 2.650 349 Y HA 0.649 5.200 4.550 0.002 0.000 0.331 349 Y C 0.580 176.617 175.900 0.229 0.000 1.082 349 Y CA -2.393 55.834 58.100 0.210 0.000 1.171 349 Y CB 1.020 39.640 38.460 0.266 0.000 1.326 349 Y HN -0.236 nan 8.280 nan 0.000 0.513 350 I N 0.609 121.358 120.570 0.299 0.000 2.685 350 I HA 0.436 4.607 4.170 0.002 0.000 0.289 350 I C -0.378 175.877 176.117 0.232 0.000 1.292 350 I CA -0.278 61.169 61.300 0.246 0.000 1.050 350 I CB 1.551 39.588 38.000 0.061 0.000 1.301 350 I HN 0.715 nan 8.210 nan 0.000 0.425 351 G N 4.719 113.597 108.800 0.130 0.000 2.483 351 G HA2 0.149 4.110 3.960 0.002 0.000 0.248 351 G HA3 0.149 4.110 3.960 0.002 0.000 0.248 351 G C 0.417 175.131 174.900 -0.309 0.000 1.248 351 G CA -0.158 44.896 45.100 -0.076 0.000 0.838 351 G HN 0.838 nan 8.290 nan 0.000 0.566 352 Q N 0.970 120.342 119.800 -0.712 0.000 2.170 352 Q HA -0.140 4.201 4.340 0.002 0.000 0.203 352 Q C 2.231 177.853 176.000 -0.630 0.000 0.976 352 Q CA 1.560 56.544 55.803 -1.365 0.000 0.858 352 Q CB -0.074 28.035 28.738 -1.049 0.000 0.907 352 Q HN 0.699 nan 8.270 nan 0.000 0.433 353 K N 0.296 120.488 120.400 -0.346 0.000 2.280 353 K HA -0.070 4.251 4.320 0.002 0.000 0.202 353 K C 0.497 177.055 176.600 -0.070 0.000 1.047 353 K CA 0.668 56.850 56.287 -0.175 0.000 0.942 353 K CB -0.084 32.344 32.500 -0.119 0.000 0.739 353 K HN 0.048 nan 8.250 nan 0.000 0.457 354 S N 1.045 116.730 115.700 -0.026 0.000 2.537 354 S HA 0.091 4.562 4.470 0.002 0.000 0.286 354 S C -1.905 172.780 174.600 0.142 0.000 1.299 354 S CA -1.440 56.812 58.200 0.087 0.000 1.067 354 S CB 1.011 64.309 63.200 0.164 0.000 0.864 354 S HN 0.071 nan 8.310 nan 0.000 0.494 355 P HA -0.078 nan 4.420 nan 0.000 0.219 355 P C 1.133 178.534 177.300 0.168 0.000 1.146 355 P CA 0.656 63.835 63.100 0.131 0.000 0.808 355 P CB 0.075 31.846 31.700 0.118 0.000 0.779 356 V N -1.790 118.254 119.914 0.217 0.000 2.871 356 V HA -0.152 3.969 4.120 0.002 0.000 0.256 356 V C 1.976 178.166 176.094 0.159 0.000 1.082 356 V CA 0.886 63.327 62.300 0.236 0.000 1.105 356 V CB -1.306 30.744 31.823 0.380 0.000 0.713 356 V HN 0.029 nan 8.190 nan 0.000 0.473 357 F N 1.808 121.779 119.950 0.034 0.000 2.043 357 F HA -0.288 4.240 4.527 0.002 0.000 0.297 357 F C 2.528 178.295 175.800 -0.056 0.000 1.121 357 F CA 2.528 60.511 58.000 -0.028 0.000 1.199 357 F CB -0.215 38.770 39.000 -0.026 0.000 0.968 357 F HN 0.009 nan 8.300 nan 0.000 0.478 358 K N 0.304 120.784 120.400 0.134 0.000 2.103 358 K HA -0.285 4.036 4.320 0.002 0.000 0.207 358 K C 2.243 178.782 176.600 -0.101 0.000 1.048 358 K CA 1.869 58.166 56.287 0.017 0.000 0.930 358 K CB -0.426 32.120 32.500 0.077 0.000 0.716 358 K HN 0.541 nan 8.250 nan 0.000 0.444 359 E N 0.228 120.383 120.200 -0.075 0.000 2.038 359 E HA -0.216 4.135 4.350 0.002 0.000 0.195 359 E C 1.916 178.344 176.600 -0.287 0.000 1.000 359 E CA 1.118 57.448 56.400 -0.117 0.000 0.803 359 E CB 0.018 29.706 29.700 -0.020 0.000 0.750 359 E HN 0.170 nan 8.360 nan 0.000 0.448 360 L N 1.351 122.350 121.223 -0.374 0.000 2.131 360 L HA -0.162 4.179 4.340 0.002 0.000 0.210 360 L C 2.523 179.104 176.870 -0.483 0.000 1.092 360 L CA 1.607 56.124 54.840 -0.538 0.000 0.759 360 L CB -1.088 40.675 42.059 -0.493 0.000 0.903 360 L HN 0.298 nan 8.230 nan 0.000 0.435 361 Q N -0.407 119.116 119.800 -0.462 0.000 2.079 361 Q HA -0.210 4.131 4.340 0.002 0.000 0.200 361 Q C 2.019 177.870 176.000 -0.250 0.000 0.974 361 Q CA 1.652 57.227 55.803 -0.380 0.000 0.840 361 Q CB 0.117 28.632 28.738 -0.372 0.000 0.898 361 Q HN 0.558 nan 8.270 nan 0.000 0.430 362 E N 0.301 120.365 120.200 -0.226 0.000 2.051 362 E HA -0.177 4.175 4.350 0.002 0.000 0.192 362 E C 1.943 178.424 176.600 -0.198 0.000 0.991 362 E CA 1.186 57.487 56.400 -0.165 0.000 0.799 362 E CB 0.066 29.690 29.700 -0.127 0.000 0.748 362 E HN 0.263 nan 8.360 nan 0.000 0.449 363 K N -0.508 119.683 120.400 -0.348 0.000 2.283 363 K HA -0.019 4.302 4.320 0.002 0.000 0.202 363 K C 1.004 177.428 176.600 -0.294 0.000 1.048 363 K CA 0.624 56.638 56.287 -0.454 0.000 0.948 363 K CB 0.167 32.031 32.500 -1.061 0.000 0.742 363 K HN 0.275 nan 8.250 nan 0.000 0.458 364 G N 0.970 109.631 108.800 -0.231 0.000 2.171 364 G HA2 -0.266 3.695 3.960 0.002 0.000 0.238 364 G HA3 -0.266 3.695 3.960 0.002 0.000 0.238 364 G C 0.241 175.235 174.900 0.157 0.000 1.039 364 G CA -0.079 45.008 45.100 -0.021 0.000 0.759 364 G HN 0.494 nan 8.290 nan 0.000 0.501 365 Y N -0.726 119.502 120.300 -0.120 0.000 2.511 365 Y HA 0.326 4.877 4.550 0.002 0.000 0.279 365 Y C 1.679 177.524 175.900 -0.092 0.000 1.157 365 Y CA -0.310 57.730 58.100 -0.100 0.000 1.300 365 Y CB 0.321 38.696 38.460 -0.142 0.000 1.052 365 Y HN 0.228 nan 8.280 nan 0.000 0.529 366 L N 1.008 122.224 121.223 -0.011 0.000 2.343 366 L HA 0.242 4.583 4.340 0.002 0.000 0.275 366 L C -0.286 176.537 176.870 -0.079 0.000 1.056 366 L CA -1.151 53.627 54.840 -0.102 0.000 0.804 366 L CB 1.125 43.044 42.059 -0.233 0.000 1.203 366 L HN -0.016 nan 8.230 nan 0.000 0.440 367 L N 3.368 124.512 121.223 -0.131 0.000 2.540 367 L HA 0.039 4.380 4.340 0.002 0.000 0.276 367 L C -0.136 176.647 176.870 -0.145 0.000 1.212 367 L CA 0.889 55.578 54.840 -0.252 0.000 0.893 367 L CB -0.166 41.607 42.059 -0.476 0.000 1.138 367 L HN 0.525 nan 8.230 nan 0.000 0.491 368 K N 5.090 125.398 120.400 -0.155 0.000 2.295 368 K HA 0.609 4.930 4.320 0.002 0.000 0.239 368 K C -0.581 175.984 176.600 -0.058 0.000 0.991 368 K CA -1.031 55.221 56.287 -0.059 0.000 0.845 368 K CB 1.557 34.037 32.500 -0.033 0.000 1.197 368 K HN 0.480 nan 8.250 nan 0.000 0.441 369 R N 0.638 121.142 120.500 0.008 0.000 2.543 369 R HA 0.139 4.480 4.340 0.002 0.000 0.268 369 R C -1.830 174.467 176.300 -0.004 0.000 1.067 369 R CA -1.871 54.243 56.100 0.024 0.000 1.142 369 R CB 0.125 30.454 30.300 0.048 0.000 1.110 369 R HN 0.323 nan 8.270 nan 0.000 0.549 370 P HA -0.212 nan 4.420 nan 0.000 0.218 370 P C 0.291 177.593 177.300 0.003 0.000 1.146 370 P CA 1.420 64.522 63.100 0.002 0.000 0.820 370 P CB 0.089 31.797 31.700 0.013 0.000 0.778 371 D N -2.451 117.951 120.400 0.003 0.000 2.340 371 D HA 0.079 4.720 4.640 0.002 0.000 0.220 371 D C 1.452 177.751 176.300 -0.002 0.000 1.039 371 D CA 0.678 54.679 54.000 0.001 0.000 0.866 371 D CB -0.735 40.065 40.800 0.000 0.000 0.913 371 D HN 0.233 nan 8.370 nan 0.000 0.523 372 G N 0.134 108.933 108.800 -0.003 0.000 2.213 372 G HA2 -0.271 3.690 3.960 0.002 0.000 0.236 372 G HA3 -0.271 3.690 3.960 0.002 0.000 0.236 372 G C 0.431 175.326 174.900 -0.009 0.000 0.991 372 G CA 0.335 45.433 45.100 -0.003 0.000 0.629 372 G HN 0.809 nan 8.290 nan 0.000 0.517 373 S N 0.366 116.060 115.700 -0.010 0.000 2.614 373 S HA 0.733 5.204 4.470 0.002 0.000 0.265 373 S C 0.568 175.160 174.600 -0.014 0.000 1.303 373 S CA -0.775 57.416 58.200 -0.016 0.000 1.000 373 S CB 1.505 64.692 63.200 -0.022 0.000 0.935 373 S HN 0.632 nan 8.310 nan 0.000 0.551 374 L N 1.013 122.225 121.223 -0.018 0.000 2.397 374 L HA 0.253 4.595 4.340 0.002 0.000 0.271 374 L C -0.049 176.823 176.870 0.005 0.000 1.148 374 L CA -0.587 54.250 54.840 -0.004 0.000 0.825 374 L CB 0.384 42.443 42.059 -0.002 0.000 1.117 374 L HN 0.842 nan 8.230 nan 0.000 0.456 375 W N 4.291 125.518 121.300 -0.122 0.000 2.311 375 W HA 0.322 4.984 4.660 0.002 0.000 0.310 375 W C -0.444 176.007 176.519 -0.113 0.000 1.274 375 W CA -0.075 57.183 57.345 -0.146 0.000 1.215 375 W CB 0.536 29.853 29.460 -0.237 0.000 1.227 375 W HN 0.441 nan 8.180 nan 0.000 0.523 376 Q N 5.413 124.652 119.800 -0.935 0.000 2.462 376 Q HA 0.435 4.777 4.340 0.002 0.000 0.285 376 Q C -1.126 174.374 176.000 -0.833 0.000 1.035 376 Q CA -0.893 54.499 55.803 -0.685 0.000 0.799 376 Q CB 2.707 31.308 28.738 -0.228 0.000 1.452 376 Q HN 0.564 nan 8.270 nan 0.000 0.404 377 W N 0.157 121.090 121.300 -0.612 0.000 2.937 377 W HA 0.418 5.079 4.660 0.002 0.000 0.360 377 W C -1.492 174.913 176.519 -0.190 0.000 1.215 377 W CA -0.872 56.240 57.345 -0.389 0.000 1.183 377 W CB -0.027 29.225 29.460 -0.347 0.000 1.458 377 W HN 0.545 nan 8.180 nan 0.000 0.574 378 D N 1.048 121.363 120.400 -0.141 0.000 2.427 378 D HA 0.078 4.719 4.640 0.002 0.000 0.224 378 D C -0.006 176.071 176.300 -0.371 0.000 1.157 378 D CA 0.125 53.984 54.000 -0.236 0.000 0.828 378 D CB 0.547 41.229 40.800 -0.197 0.000 0.974 378 D HN 0.028 nan 8.370 nan 0.000 0.498 379 K N 0.391 120.321 120.400 -0.783 0.000 2.234 379 K HA 0.040 4.361 4.320 0.002 0.000 0.282 379 K C 0.847 177.453 176.600 0.009 0.000 1.039 379 K CA -0.492 55.438 56.287 -0.595 0.000 0.928 379 K CB 2.119 33.843 32.500 -1.293 0.000 1.039 379 K HN 0.250 nan 8.250 nan 0.000 0.470 380 W N 0.966 122.242 121.300 -0.040 0.000 0.476 380 W HA -0.317 4.344 4.660 0.002 0.000 0.215 380 W C -0.899 175.666 176.519 0.076 0.000 0.914 380 W CA 1.382 58.795 57.345 0.114 0.000 0.333 380 W CB -0.474 29.084 29.460 0.163 0.000 1.907 380 W HN 0.552 nan 8.180 nan 0.000 1.273 381 Q N 0.271 120.009 119.800 -0.103 0.000 2.389 381 Q HA 0.417 4.758 4.340 0.002 0.000 0.277 381 Q C -2.416 173.477 176.000 -0.178 0.000 1.082 381 Q CA -1.774 53.878 55.803 -0.252 0.000 0.810 381 Q CB 1.681 30.297 28.738 -0.203 0.000 1.374 381 Q HN -0.133 nan 8.270 nan 0.000 0.422 382 P HA 0.080 nan 4.420 nan 0.000 0.267 382 P C 0.510 177.647 177.300 -0.271 0.000 1.209 382 P CA 0.724 63.628 63.100 -0.327 0.000 0.763 382 P CB 0.358 31.750 31.700 -0.514 0.000 0.816 383 G N 2.984 111.659 108.800 -0.209 0.000 2.225 383 G HA2 -0.301 3.660 3.960 0.002 0.000 0.267 383 G HA3 -0.301 3.660 3.960 0.002 0.000 0.267 383 G C 0.082 174.907 174.900 -0.125 0.000 1.024 383 G CA -0.201 44.774 45.100 -0.208 0.000 0.784 383 G HN 0.615 nan 8.290 nan 0.000 0.507 384 L N 0.190 121.424 121.223 0.018 0.000 2.601 384 L HA 0.451 4.792 4.340 0.002 0.000 0.277 384 L C 0.819 177.836 176.870 0.246 0.000 1.219 384 L CA 0.558 55.501 54.840 0.172 0.000 0.915 384 L CB 0.276 42.521 42.059 0.310 0.000 1.160 384 L HN 0.563 nan 8.230 nan 0.000 0.494 385 A N 6.499 129.495 122.820 0.293 0.000 2.309 385 A HA 0.817 5.138 4.320 0.002 0.000 0.317 385 A C -0.698 176.962 177.584 0.126 0.000 1.134 385 A CA -0.738 51.452 52.037 0.254 0.000 0.866 385 A CB 1.069 20.230 19.000 0.268 0.000 1.329 385 A HN 0.705 nan 8.150 nan 0.000 0.477 386 I N 0.023 120.603 120.570 0.017 0.000 2.509 386 I HA 0.265 4.436 4.170 0.002 0.000 0.293 386 I C -1.324 174.707 176.117 -0.143 0.000 1.020 386 I CA -0.503 60.774 61.300 -0.038 0.000 1.088 386 I CB 1.716 39.624 38.000 -0.152 0.000 1.267 386 I HN 0.595 nan 8.210 nan 0.000 0.430 387 Y N 3.508 123.751 120.300 -0.095 0.000 2.496 387 Y HA 0.006 4.557 4.550 0.002 0.000 0.334 387 Y C 0.699 176.354 175.900 -0.408 0.000 1.080 387 Y CA 0.021 57.945 58.100 -0.293 0.000 1.355 387 Y CB 0.021 38.177 38.460 -0.506 0.000 1.193 387 Y HN 0.392 nan 8.280 nan 0.000 0.523 388 D N 3.897 124.291 120.400 -0.011 0.000 2.402 388 D HA 0.022 4.663 4.640 0.002 0.000 0.235 388 D C -0.177 176.246 176.300 0.205 0.000 1.226 388 D CA -0.064 54.051 54.000 0.191 0.000 0.918 388 D CB 0.001 40.913 40.800 0.187 0.000 1.043 388 D HN 0.334 nan 8.370 nan 0.000 0.506 389 F N 1.513 121.671 119.950 0.347 0.000 2.769 389 F HA 0.022 4.550 4.527 0.002 0.000 0.304 389 F C 2.289 178.125 175.800 0.060 0.000 1.158 389 F CA 0.256 58.295 58.000 0.064 0.000 1.398 389 F CB -0.589 38.310 39.000 -0.168 0.000 1.094 389 F HN 0.334 nan 8.300 nan 0.000 0.553 390 T N -4.210 110.554 114.554 0.349 0.000 3.040 390 T HA 0.064 4.415 4.350 0.002 0.000 0.250 390 T C 0.696 175.539 174.700 0.240 0.000 1.058 390 T CA -0.179 62.100 62.100 0.297 0.000 0.988 390 T CB -0.158 68.949 68.868 0.399 0.000 0.993 390 T HN 0.040 nan 8.240 nan 0.000 0.519 391 N N 2.337 121.055 118.700 0.030 0.000 2.439 391 N HA 0.286 5.027 4.740 0.002 0.000 0.249 391 N C -2.232 173.088 175.510 -0.316 0.000 1.003 391 N CA -2.194 50.545 53.050 -0.519 0.000 0.942 391 N CB 2.066 40.192 38.487 -0.602 0.000 1.115 391 N HN -0.075 nan 8.380 nan 0.000 0.505 392 P HA -0.112 nan 4.420 nan 0.000 0.216 392 P C 0.483 177.674 177.300 -0.182 0.000 1.153 392 P CA 1.193 64.210 63.100 -0.139 0.000 0.858 392 P CB 0.404 32.064 31.700 -0.066 0.000 0.789 393 D N -0.861 119.365 120.400 -0.290 0.000 2.178 393 D HA -0.089 4.552 4.640 0.002 0.000 0.202 393 D C 1.898 177.786 176.300 -0.687 0.000 0.974 393 D CA 1.350 55.144 54.000 -0.343 0.000 0.841 393 D CB -0.326 40.336 40.800 -0.231 0.000 0.953 393 D HN 0.131 nan 8.370 nan 0.000 0.478 394 A N 0.598 122.962 122.820 -0.760 0.000 1.929 394 A HA -0.115 4.206 4.320 0.002 0.000 0.216 394 A C 2.539 180.109 177.584 -0.024 0.000 1.176 394 A CA 0.741 52.413 52.037 -0.610 0.000 0.628 394 A CB -0.774 18.073 19.000 -0.255 0.000 0.816 394 A HN 0.284 nan 8.150 nan 0.000 0.444 395 C N -0.525 118.782 119.300 0.012 0.000 2.432 395 C HA -0.078 4.383 4.460 0.002 0.000 0.277 395 C C 2.740 177.763 174.990 0.055 0.000 1.249 395 C CA 1.308 60.371 59.018 0.075 0.000 1.725 395 C CB -0.720 27.008 27.740 -0.019 0.000 2.028 395 C HN 0.582 nan 8.230 nan 0.000 0.477 396 K N -0.281 120.118 120.400 -0.001 0.000 2.009 396 K HA -0.227 4.094 4.320 0.002 0.000 0.210 396 K C 1.937 178.569 176.600 0.054 0.000 1.049 396 K CA 1.922 58.211 56.287 0.002 0.000 0.929 396 K CB -0.660 31.836 32.500 -0.006 0.000 0.714 396 K HN 0.765 nan 8.250 nan 0.000 0.440 397 W N 0.415 121.670 121.300 -0.076 0.000 2.335 397 W HA -0.297 4.364 4.660 0.002 0.000 0.311 397 W C 2.205 178.700 176.519 -0.040 0.000 1.213 397 W CA 2.091 59.439 57.345 0.004 0.000 1.274 397 W CB -0.609 28.930 29.460 0.131 0.000 1.148 397 W HN 0.228 nan 8.180 nan 0.000 0.498 398 Y N 0.688 121.154 120.300 0.277 0.000 2.145 398 Y HA -0.206 4.346 4.550 0.002 0.000 0.286 398 Y C 2.442 178.156 175.900 -0.309 0.000 1.145 398 Y CA 2.859 60.974 58.100 0.025 0.000 1.148 398 Y CB -1.018 37.505 38.460 0.106 0.000 0.981 398 Y HN -0.005 nan 8.280 nan 0.000 0.507 399 A N 0.042 122.826 122.820 -0.060 0.000 1.908 399 A HA -0.222 4.099 4.320 0.002 0.000 0.218 399 A C 1.919 179.322 177.584 -0.302 0.000 1.181 399 A CA 2.072 53.998 52.037 -0.185 0.000 0.627 399 A CB -0.922 18.010 19.000 -0.114 0.000 0.818 399 A HN 0.522 nan 8.150 nan 0.000 0.445 400 D N -0.029 120.192 120.400 -0.299 0.000 2.133 400 D HA -0.142 4.499 4.640 0.002 0.000 0.195 400 D C 1.912 177.942 176.300 -0.451 0.000 0.997 400 D CA 1.240 55.045 54.000 -0.326 0.000 0.840 400 D CB -0.159 40.453 40.800 -0.313 0.000 0.947 400 D HN 0.265 nan 8.370 nan 0.000 0.452 401 K N 0.348 120.312 120.400 -0.726 0.000 2.097 401 K HA -0.056 4.265 4.320 0.002 0.000 0.206 401 K C 2.390 178.582 176.600 -0.680 0.000 1.049 401 K CA 0.346 56.119 56.287 -0.857 0.000 0.933 401 K CB -0.559 31.009 32.500 -1.554 0.000 0.717 401 K HN 0.282 nan 8.250 nan 0.000 0.442 402 L N 0.950 121.742 121.223 -0.718 0.000 2.017 402 L HA -0.195 4.146 4.340 0.002 0.000 0.208 402 L C 2.414 179.204 176.870 -0.132 0.000 1.073 402 L CA 1.432 55.988 54.840 -0.473 0.000 0.745 402 L CB -0.400 41.316 42.059 -0.571 0.000 0.894 402 L HN 0.171 nan 8.230 nan 0.000 0.432 403 K N 0.003 120.301 120.400 -0.170 0.000 2.097 403 K HA -0.130 4.191 4.320 0.002 0.000 0.206 403 K C 2.131 178.686 176.600 -0.075 0.000 1.049 403 K CA 1.253 57.485 56.287 -0.091 0.000 0.933 403 K CB -0.495 31.936 32.500 -0.115 0.000 0.717 403 K HN 0.412 nan 8.250 nan 0.000 0.442 404 G N 1.358 110.085 108.800 -0.121 0.000 2.440 404 G HA2 -0.234 3.727 3.960 0.002 0.000 0.218 404 G HA3 -0.234 3.727 3.960 0.002 0.000 0.218 404 G C 1.374 176.272 174.900 -0.004 0.000 1.154 404 G CA 0.515 45.571 45.100 -0.075 0.000 0.767 404 G HN 0.052 nan 8.290 nan 0.000 0.552 405 L N 0.478 121.723 121.223 0.036 0.000 2.072 405 L HA 0.053 4.394 4.340 0.002 0.000 0.205 405 L C 3.099 180.003 176.870 0.057 0.000 1.079 405 L CA 0.836 55.748 54.840 0.119 0.000 0.752 405 L CB -0.612 41.595 42.059 0.248 0.000 0.906 405 L HN 0.114 nan 8.230 nan 0.000 0.436 406 V N -0.368 119.582 119.914 0.061 0.000 2.343 406 V HA -0.147 3.974 4.120 0.002 0.000 0.247 406 V C 1.762 177.822 176.094 -0.056 0.000 1.051 406 V CA 0.854 63.141 62.300 -0.023 0.000 1.036 406 V CB -1.173 30.646 31.823 -0.007 0.000 0.654 406 V HN 0.428 nan 8.190 nan 0.000 0.451 410 V N -0.775 119.038 119.914 -0.168 0.000 2.655 410 V HA 0.421 4.542 4.120 0.002 0.000 0.300 410 V C 0.564 176.469 176.094 -0.316 0.000 1.044 410 V CA 0.377 62.535 62.300 -0.238 0.000 1.095 410 V CB 1.422 33.096 31.823 -0.249 0.000 0.952 410 V HN 0.098 nan 8.190 nan 0.000 0.485 411 D N 2.832 123.029 120.400 -0.339 0.000 2.277 411 D HA 0.154 4.795 4.640 0.002 0.000 0.209 411 D C 0.676 176.819 176.300 -0.262 0.000 0.970 411 D CA 1.421 55.248 54.000 -0.289 0.000 0.874 411 D CB 0.769 41.348 40.800 -0.368 0.000 0.982 411 D HN 0.918 nan 8.370 nan 0.000 0.504 412 C N -1.357 117.709 119.300 -0.391 0.000 3.340 412 C HA 0.792 5.253 4.460 0.002 0.000 0.333 412 C C -1.356 173.253 174.990 -0.635 0.000 1.464 412 C CA -1.236 57.567 59.018 -0.359 0.000 1.337 412 C CB 0.840 28.650 27.740 0.117 0.000 1.740 412 C HN -0.054 nan 8.230 nan 0.000 0.450 413 F N 0.314 120.334 119.950 0.116 0.000 2.576 413 F HA 0.650 5.178 4.527 0.002 0.000 0.313 413 F C 0.013 175.872 175.800 0.098 0.000 1.078 413 F CA -0.683 57.372 58.000 0.092 0.000 0.921 413 F CB 1.752 40.780 39.000 0.047 0.000 1.232 413 F HN 0.739 nan 8.300 nan 0.000 0.459 414 K N 1.750 122.319 120.400 0.281 0.000 2.299 414 K HA 0.311 4.632 4.320 0.002 0.000 0.268 414 K C -0.566 176.021 176.600 -0.021 0.000 1.075 414 K CA -0.360 55.989 56.287 0.103 0.000 0.936 414 K CB 0.447 32.951 32.500 0.007 0.000 1.228 414 K HN 0.745 nan 8.250 nan 0.000 0.454 415 T N 1.168 115.713 114.554 -0.016 0.000 2.848 415 T HA 0.098 4.449 4.350 0.002 0.000 0.283 415 T C 0.016 174.717 174.700 0.001 0.000 0.919 415 T CA -0.757 61.313 62.100 -0.050 0.000 1.071 415 T CB 0.310 69.012 68.868 -0.277 0.000 0.912 415 T HN 0.388 nan 8.240 nan 0.000 0.570 416 D N 1.467 121.813 120.400 -0.089 0.000 2.387 416 D HA 0.552 5.193 4.640 0.002 0.000 0.251 416 D C 0.675 177.110 176.300 0.226 0.000 1.141 416 D CA -0.872 53.135 54.000 0.012 0.000 0.987 416 D CB 0.328 41.166 40.800 0.063 0.000 1.116 416 D HN 0.446 nan 8.370 nan 0.000 0.491 417 F N -0.315 119.635 119.950 0.000 0.000 2.089 417 F HA -0.165 4.363 4.527 0.002 0.000 0.296 417 F C 1.747 177.609 175.800 0.103 0.000 0.129 417 F CA 1.416 59.432 58.000 0.028 0.000 0.853 417 F CB -1.359 37.568 39.000 -0.123 0.000 3.845 417 F HN 0.574 nan 8.300 nan 0.000 0.279 418 G N -1.258 107.748 108.800 0.343 0.000 2.184 418 G HA2 -0.168 3.794 3.960 0.002 0.000 0.206 418 G HA3 -0.168 3.794 3.960 0.002 0.000 0.206 418 G C 0.461 175.538 174.900 0.295 0.000 0.995 418 G CA 0.596 45.886 45.100 0.317 0.000 0.651 418 G HN 0.702 nan 8.290 nan 0.000 0.511 419 E N 0.241 120.623 120.200 0.303 0.000 2.075 419 E HA 0.217 4.568 4.350 0.002 0.000 0.190 419 E C 1.627 178.256 176.600 0.049 0.000 0.969 419 E CA 0.280 56.773 56.400 0.154 0.000 0.815 419 E CB -0.045 29.821 29.700 0.276 0.000 0.776 419 E HN 0.425 nan 8.360 nan 0.000 0.457 420 R N 1.571 122.217 120.500 0.242 0.000 3.688 420 R HA 0.109 4.450 4.340 0.002 0.000 0.194 420 R C -0.526 175.720 176.300 -0.089 0.000 1.677 420 R CA 0.013 56.233 56.100 0.200 0.000 1.351 420 R CB -0.214 30.324 30.300 0.397 0.000 1.338 420 R HN 0.078 nan 8.270 nan 0.000 0.731 421 I N 4.488 124.967 120.570 -0.151 0.000 2.307 421 I HA 0.224 4.395 4.170 0.002 0.000 0.289 421 I C -1.653 174.384 176.117 -0.132 0.000 1.021 421 I CA -3.288 57.841 61.300 -0.286 0.000 1.224 421 I CB 0.848 38.659 38.000 -0.316 0.000 1.376 421 I HN 0.151 nan 8.210 nan 0.000 0.470 422 P HA 0.111 nan 4.420 nan 0.000 0.270 422 P C 0.489 177.692 177.300 -0.161 0.000 1.223 422 P CA 0.099 62.912 63.100 -0.477 0.000 0.785 422 P CB 0.865 31.810 31.700 -1.258 0.000 0.923 423 T N -3.969 110.585 114.554 0.000 0.000 2.971 423 T HA 0.020 4.371 4.350 0.002 0.000 0.252 423 T C 0.541 175.278 174.700 0.062 0.000 1.022 423 T CA -0.090 62.079 62.100 0.114 0.000 0.980 423 T CB -0.467 68.529 68.868 0.214 0.000 1.044 423 T HN 0.396 nan 8.240 nan 0.000 0.501 424 D N 2.285 122.706 120.400 0.035 0.000 2.934 424 D HA 0.353 4.994 4.640 0.002 0.000 0.237 424 D C -0.013 176.302 176.300 0.026 0.000 1.158 424 D CA -0.280 53.758 54.000 0.063 0.000 0.971 424 D CB -0.039 40.833 40.800 0.120 0.000 1.123 424 D HN 0.266 nan 8.370 nan 0.000 0.467 425 V N -0.401 119.477 119.914 -0.059 0.000 3.167 425 V HA 0.401 4.522 4.120 0.002 0.000 0.310 425 V C -0.875 175.122 176.094 -0.163 0.000 1.207 425 V CA -1.072 61.123 62.300 -0.176 0.000 1.059 425 V CB 2.563 34.104 31.823 -0.471 0.000 1.079 425 V HN 0.255 nan 8.190 nan 0.000 0.446 426 Q N 0.540 120.205 119.800 -0.226 0.000 2.320 426 Q HA 0.336 4.677 4.340 0.002 0.000 0.268 426 Q C -1.879 174.024 176.000 -0.161 0.000 1.023 426 Q CA -0.499 55.239 55.803 -0.108 0.000 0.744 426 Q CB 1.273 29.993 28.738 -0.030 0.000 1.246 426 Q HN 0.683 nan 8.270 nan 0.000 0.462 427 W N 2.896 124.234 121.300 0.065 0.000 2.170 427 W HA 0.120 4.781 4.660 0.002 0.000 0.336 427 W C 1.177 177.778 176.519 0.137 0.000 1.283 427 W CA -0.474 56.938 57.345 0.112 0.000 1.224 427 W CB 0.317 29.852 29.460 0.124 0.000 1.132 427 W HN 0.719 nan 8.180 nan 0.000 0.571 428 F N 2.594 122.717 119.950 0.289 0.000 2.115 428 F HA -0.363 4.165 4.527 0.002 0.000 0.300 428 F C 2.143 178.052 175.800 0.181 0.000 1.092 428 F CA 2.428 60.544 58.000 0.193 0.000 1.245 428 F CB -0.068 39.044 39.000 0.187 0.000 0.995 428 F HN 0.396 nan 8.300 nan 0.000 0.481 429 D N -0.854 119.752 120.400 0.342 0.000 2.340 429 D HA 0.113 4.754 4.640 0.002 0.000 0.220 429 D C 1.635 178.003 176.300 0.113 0.000 1.039 429 D CA 0.767 54.872 54.000 0.175 0.000 0.866 429 D CB -0.582 40.366 40.800 0.246 0.000 0.913 429 D HN 0.440 nan 8.370 nan 0.000 0.523 430 G N 0.047 108.942 108.800 0.158 0.000 2.160 430 G HA2 -0.291 3.670 3.960 0.002 0.000 0.251 430 G HA3 -0.291 3.670 3.960 0.002 0.000 0.251 430 G C 0.312 175.305 174.900 0.155 0.000 1.008 430 G CA 0.300 45.482 45.100 0.136 0.000 0.724 430 G HN 0.423 nan 8.290 nan 0.000 0.514 431 S N -0.009 115.804 115.700 0.187 0.000 2.569 431 S HA 0.309 4.780 4.470 0.002 0.000 0.274 431 S C 0.477 175.164 174.600 0.145 0.000 1.353 431 S CA 0.204 58.451 58.200 0.078 0.000 1.023 431 S CB 0.952 64.092 63.200 -0.100 0.000 0.876 431 S HN 0.510 nan 8.310 nan 0.000 0.540 432 D N 1.328 121.772 120.400 0.074 0.000 2.371 432 D HA 0.192 4.833 4.640 0.002 0.000 0.256 432 D C -1.705 174.701 176.300 0.176 0.000 1.193 432 D CA -2.039 52.034 54.000 0.122 0.000 0.881 432 D CB 1.046 41.896 40.800 0.085 0.000 1.143 432 D HN 0.040 nan 8.370 nan 0.000 0.473 433 P HA -0.139 nan 4.420 nan 0.000 0.218 433 P C 1.176 178.671 177.300 0.325 0.000 1.148 433 P CA 0.925 64.258 63.100 0.388 0.000 0.822 433 P CB 0.296 32.190 31.700 0.322 0.000 0.784 434 Q N -0.152 119.811 119.800 0.273 0.000 2.170 434 Q HA -0.059 4.282 4.340 0.002 0.000 0.203 434 Q C 0.845 177.046 176.000 0.334 0.000 0.976 434 Q CA 1.277 57.281 55.803 0.336 0.000 0.858 434 Q CB -0.386 28.490 28.738 0.230 0.000 0.907 434 Q HN 0.423 nan 8.270 nan 0.000 0.433 438 N N 0.189 118.848 118.700 -0.068 0.000 2.220 438 N HA -0.101 4.640 4.740 0.002 0.000 0.182 438 N C 1.739 177.370 175.510 0.200 0.000 1.023 438 N CA 1.412 54.484 53.050 0.038 0.000 0.856 438 N CB -0.599 38.022 38.487 0.222 0.000 0.997 438 N HN 0.496 nan 8.380 nan 0.000 0.429 439 H N -0.462 118.691 119.070 0.139 0.000 2.460 439 H HA -0.181 4.376 4.556 0.002 0.000 0.297 439 H C 1.649 177.094 175.328 0.195 0.000 1.103 439 H CA 1.058 57.212 56.048 0.176 0.000 1.292 439 H CB 0.027 29.833 29.762 0.073 0.000 1.376 439 H HN 0.265 nan 8.280 nan 0.000 0.531 440 Y N 0.800 121.097 120.300 -0.005 0.000 2.207 440 Y HA -0.274 4.277 4.550 0.002 0.000 0.287 440 Y C 2.594 178.553 175.900 0.097 0.000 1.156 440 Y CA 1.583 59.673 58.100 -0.017 0.000 1.182 440 Y CB -0.383 38.059 38.460 -0.030 0.000 0.979 440 Y HN 0.279 nan 8.280 nan 0.000 0.521 441 A N -0.797 122.188 122.820 0.275 0.000 1.972 441 A HA -0.240 4.081 4.320 0.002 0.000 0.219 441 A C 2.044 179.718 177.584 0.149 0.000 1.169 441 A CA 1.680 53.890 52.037 0.288 0.000 0.635 441 A CB -1.352 17.813 19.000 0.274 0.000 0.810 441 A HN 0.727 nan 8.150 nan 0.000 0.446 442 Y N 1.314 121.590 120.300 -0.040 0.000 2.130 442 Y HA -0.153 4.398 4.550 0.002 0.000 0.287 442 Y C 2.031 177.783 175.900 -0.246 0.000 1.124 442 Y CA 1.926 59.969 58.100 -0.096 0.000 1.118 442 Y CB -0.386 37.959 38.460 -0.193 0.000 0.994 442 Y HN 0.353 nan 8.280 nan 0.000 0.497 443 I N -0.975 119.378 120.570 -0.361 0.000 2.286 443 I HA -0.208 3.963 4.170 0.002 0.000 0.248 443 I C 2.241 178.021 176.117 -0.561 0.000 1.115 443 I CA 1.816 62.854 61.300 -0.437 0.000 1.392 443 I CB -1.905 35.916 38.000 -0.298 0.000 1.065 443 I HN 0.322 nan 8.210 nan 0.000 0.418 444 Y N 2.426 122.333 120.300 -0.655 0.000 2.145 444 Y HA -0.165 4.386 4.550 0.002 0.000 0.286 444 Y C 2.294 177.856 175.900 -0.564 0.000 1.145 444 Y CA 1.729 59.399 58.100 -0.716 0.000 1.148 444 Y CB -0.885 37.365 38.460 -0.349 0.000 0.981 444 Y HN 0.232 nan 8.280 nan 0.000 0.507 445 N N 0.500 118.779 118.700 -0.702 0.000 2.270 445 N HA -0.162 4.580 4.740 0.002 0.000 0.181 445 N C 1.876 176.841 175.510 -0.908 0.000 1.016 445 N CA 1.248 53.852 53.050 -0.742 0.000 0.870 445 N CB -0.237 38.014 38.487 -0.394 0.000 0.979 445 N HN 0.664 nan 8.380 nan 0.000 0.431 446 E N 1.072 120.586 120.200 -1.144 0.000 2.077 446 E HA -0.166 4.185 4.350 0.002 0.000 0.193 446 E C 2.070 178.228 176.600 -0.736 0.000 0.989 446 E CA 0.624 56.185 56.400 -1.397 0.000 0.800 446 E CB -0.029 28.989 29.700 -1.137 0.000 0.746 446 E HN 0.091 nan 8.360 nan 0.000 0.452 447 L N 0.705 121.557 121.223 -0.619 0.000 2.012 447 L HA -0.159 4.182 4.340 0.002 0.000 0.210 447 L C 2.270 178.934 176.870 -0.344 0.000 1.073 447 L CA 1.583 56.145 54.840 -0.463 0.000 0.748 447 L CB -0.603 41.083 42.059 -0.621 0.000 0.891 447 L HN 0.092 nan 8.230 nan 0.000 0.431 448 V N -0.878 118.816 119.914 -0.367 0.000 2.427 448 V HA -0.286 3.836 4.120 0.002 0.000 0.248 448 V C 2.207 178.229 176.094 -0.120 0.000 1.051 448 V CA 1.980 64.142 62.300 -0.231 0.000 1.048 448 V CB -1.050 30.622 31.823 -0.253 0.000 0.666 448 V HN 0.753 nan 8.190 nan 0.000 0.456 449 W N 1.353 122.424 121.300 -0.381 0.000 2.388 449 W HA -0.157 4.504 4.660 0.002 0.000 0.294 449 W C 2.065 178.473 176.519 -0.185 0.000 1.212 449 W CA 1.660 58.839 57.345 -0.276 0.000 1.271 449 W CB -0.342 28.833 29.460 -0.475 0.000 1.126 449 W HN 0.340 nan 8.180 nan 0.000 0.535 450 N N 0.522 119.163 118.700 -0.098 0.000 2.309 450 N HA -0.133 4.608 4.740 0.002 0.000 0.182 450 N C 1.738 177.162 175.510 -0.143 0.000 1.018 450 N CA 1.358 54.347 53.050 -0.100 0.000 0.876 450 N CB -0.661 37.778 38.487 -0.080 0.000 0.972 450 N HN 0.019 nan 8.380 nan 0.000 0.434 451 V N 1.044 120.873 119.914 -0.142 0.000 2.358 451 V HA -0.118 4.003 4.120 0.002 0.000 0.246 451 V C 2.218 178.252 176.094 -0.100 0.000 1.047 451 V CA 1.095 63.331 62.300 -0.105 0.000 1.035 451 V CB -0.347 31.423 31.823 -0.087 0.000 0.658 451 V HN 0.243 nan 8.190 nan 0.000 0.452 452 L N -0.308 120.829 121.223 -0.144 0.000 2.093 452 L HA -0.150 4.191 4.340 0.002 0.000 0.208 452 L C 2.514 179.226 176.870 -0.263 0.000 1.085 452 L CA 1.583 56.309 54.840 -0.191 0.000 0.755 452 L CB -0.580 41.313 42.059 -0.277 0.000 0.904 452 L HN 0.269 nan 8.230 nan 0.000 0.435 453 K N -0.015 120.169 120.400 -0.360 0.000 2.280 453 K HA -0.168 4.153 4.320 0.002 0.000 0.202 453 K C 0.844 177.362 176.600 -0.137 0.000 1.047 453 K CA 1.313 57.434 56.287 -0.276 0.000 0.942 453 K CB 0.160 32.507 32.500 -0.255 0.000 0.739 453 K HN 0.255 nan 8.250 nan 0.000 0.457 454 D N -1.177 119.152 120.400 -0.118 0.000 2.379 454 D HA -0.019 4.622 4.640 0.002 0.000 0.208 454 D C 1.258 177.516 176.300 -0.070 0.000 1.065 454 D CA 0.803 54.757 54.000 -0.077 0.000 0.848 454 D CB 0.922 41.681 40.800 -0.068 0.000 0.949 454 D HN 0.377 nan 8.370 nan 0.000 0.509 455 T N -2.801 111.705 114.554 -0.080 0.000 3.075 455 T HA 0.036 4.387 4.350 0.002 0.000 0.251 455 T C 1.717 176.376 174.700 -0.068 0.000 0.979 455 T CA 0.501 62.561 62.100 -0.067 0.000 1.033 455 T CB -0.284 68.548 68.868 -0.059 0.000 1.104 455 T HN -0.003 nan 8.240 nan 0.000 0.473 456 V N -1.116 118.750 119.914 -0.081 0.000 3.661 456 V HA 0.704 4.825 4.120 0.002 0.000 0.271 456 V C 1.032 177.093 176.094 -0.054 0.000 1.315 456 V CA 0.180 62.441 62.300 -0.066 0.000 1.072 456 V CB -0.612 31.174 31.823 -0.062 0.000 0.830 456 V HN 1.077 nan 8.190 nan 0.000 0.443 457 G N 0.684 109.437 108.800 -0.078 0.000 2.784 457 G HA2 -0.120 3.841 3.960 0.002 0.000 0.686 457 G HA3 -0.120 3.841 3.960 0.002 0.000 0.686 457 G C 0.131 174.974 174.900 -0.096 0.000 1.156 457 G CA 0.133 45.196 45.100 -0.062 0.000 0.757 457 G HN 0.223 nan 8.290 nan 0.000 0.642 458 E N 0.453 120.610 120.200 -0.073 0.000 2.130 458 E HA -0.184 4.167 4.350 0.002 0.000 0.196 458 E C 2.007 178.595 176.600 -0.019 0.000 0.998 458 E CA 2.039 58.398 56.400 -0.068 0.000 0.806 458 E CB -0.015 29.718 29.700 0.055 0.000 0.738 458 E HN 0.797 nan 8.360 nan 0.000 0.459 459 E N -0.259 119.957 120.200 0.026 0.000 2.268 459 E HA -0.156 4.195 4.350 0.002 0.000 0.195 459 E C 1.263 177.899 176.600 0.060 0.000 0.995 459 E CA 0.749 57.190 56.400 0.067 0.000 0.836 459 E CB 0.207 29.955 29.700 0.079 0.000 0.763 459 E HN 0.119 nan 8.360 nan 0.000 0.491 460 E N -0.087 120.130 120.200 0.028 0.000 2.472 460 E HA 0.128 4.479 4.350 0.002 0.000 0.196 460 E C -0.033 176.571 176.600 0.006 0.000 1.033 460 E CA 0.204 56.661 56.400 0.094 0.000 0.886 460 E CB 0.711 30.493 29.700 0.137 0.000 0.944 460 E HN 0.213 nan 8.360 nan 0.000 0.492 461 A N 1.550 124.247 122.820 -0.204 0.000 2.491 461 A HA 0.331 4.652 4.320 0.002 0.000 0.261 461 A C 0.178 177.619 177.584 -0.239 0.000 1.101 461 A CA 0.027 51.792 52.037 -0.453 0.000 0.772 461 A CB 0.165 18.398 19.000 -1.278 0.000 1.043 461 A HN -0.055 nan 8.150 nan 0.000 0.501 462 V N 3.033 122.910 119.914 -0.062 0.000 3.049 462 V HA 0.719 4.840 4.120 0.002 0.000 0.309 462 V C -0.643 175.577 176.094 0.209 0.000 1.148 462 V CA -0.678 61.681 62.300 0.098 0.000 0.990 462 V CB 1.769 33.604 31.823 0.021 0.000 1.039 462 V HN 0.824 nan 8.190 nan 0.000 0.430 463 L N 1.768 123.136 121.223 0.241 0.000 2.479 463 L HA 0.682 5.023 4.340 0.002 0.000 0.255 463 L C -1.650 175.348 176.870 0.213 0.000 1.026 463 L CA -0.211 54.767 54.840 0.231 0.000 0.842 463 L CB 2.367 44.538 42.059 0.188 0.000 1.444 463 L HN 0.566 nan 8.230 nan 0.000 0.409 464 F N 1.641 121.501 119.950 -0.151 0.000 2.691 464 F HA 0.699 5.227 4.527 0.002 0.000 0.371 464 F C 0.159 175.834 175.800 -0.208 0.000 1.159 464 F CA -0.786 57.042 58.000 -0.285 0.000 1.174 464 F CB 1.207 39.945 39.000 -0.437 0.000 1.419 464 F HN 0.415 nan 8.300 nan 0.000 0.514 465 A N 3.410 126.123 122.820 -0.177 0.000 2.290 465 A HA 0.521 4.843 4.320 0.002 0.000 0.310 465 A C 1.293 178.888 177.584 0.017 0.000 1.202 465 A CA -0.479 51.481 52.037 -0.128 0.000 0.837 465 A CB 0.818 19.656 19.000 -0.270 0.000 1.139 465 A HN 0.741 nan 8.150 nan 0.000 0.509 466 R N 1.453 122.002 120.500 0.082 0.000 2.189 466 R HA 0.104 4.445 4.340 0.002 0.000 0.203 466 R C 0.493 176.839 176.300 0.076 0.000 1.012 466 R CA 0.995 57.131 56.100 0.059 0.000 1.015 466 R CB 0.194 30.465 30.300 -0.048 0.000 0.938 466 R HN 0.651 nan 8.270 nan 0.000 0.472 467 S N -0.731 115.073 115.700 0.174 0.000 2.638 467 S HA 0.775 5.246 4.470 0.002 0.000 0.298 467 S C -1.084 173.689 174.600 0.288 0.000 1.111 467 S CA -0.261 58.085 58.200 0.242 0.000 1.027 467 S CB 1.832 65.195 63.200 0.273 0.000 1.064 467 S HN 0.382 nan 8.310 nan 0.000 0.525 468 A N 1.486 124.453 122.820 0.245 0.000 2.581 468 A HA 0.881 5.202 4.320 0.002 0.000 0.290 468 A C -0.668 177.065 177.584 0.248 0.000 1.119 468 A CA -0.529 51.669 52.037 0.269 0.000 0.670 468 A CB 1.215 20.280 19.000 0.108 0.000 1.280 468 A HN 1.045 nan 8.150 nan 0.000 0.425 469 S N -1.482 114.408 115.700 0.318 0.000 2.636 469 S HA 0.521 4.992 4.470 0.002 0.000 0.268 469 S C -1.194 173.539 174.600 0.221 0.000 1.159 469 S CA -0.177 58.194 58.200 0.285 0.000 0.815 469 S CB 1.050 64.456 63.200 0.342 0.000 1.130 469 S HN 1.557 nan 8.310 nan 0.000 0.471 470 V N 2.901 122.806 119.914 -0.015 0.000 2.584 470 V HA 0.382 4.503 4.120 0.002 0.000 0.303 470 V C 1.812 177.752 176.094 -0.257 0.000 1.035 470 V CA 2.094 64.219 62.300 -0.291 0.000 1.172 470 V CB -0.083 31.128 31.823 -1.020 0.000 0.896 470 V HN 1.645 nan 8.190 nan 0.000 0.486 471 G N 4.323 112.948 108.800 -0.292 0.000 2.234 471 G HA2 -0.224 3.737 3.960 0.002 0.000 0.235 471 G HA3 -0.224 3.737 3.960 0.002 0.000 0.235 471 G C 0.971 175.771 174.900 -0.167 0.000 0.997 471 G CA 0.287 45.214 45.100 -0.288 0.000 0.623 471 G HN 1.411 nan 8.290 nan 0.000 0.514 472 A N 0.929 123.772 122.820 0.039 0.000 2.216 472 A HA 0.152 4.473 4.320 0.002 0.000 0.214 472 A C 2.222 179.621 177.584 -0.308 0.000 1.160 472 A CA 2.087 54.175 52.037 0.085 0.000 0.725 472 A CB -0.341 18.920 19.000 0.434 0.000 0.784 472 A HN 0.922 nan 8.150 nan 0.000 0.472 473 Q N 0.537 119.829 119.800 -0.846 0.000 2.364 473 Q HA -0.113 4.228 4.340 0.002 0.000 0.207 473 Q C 1.122 176.711 176.000 -0.685 0.000 0.970 473 Q CA 1.435 56.608 55.803 -1.051 0.000 0.888 473 Q CB -0.463 27.398 28.738 -1.462 0.000 0.951 473 Q HN 0.649 nan 8.270 nan 0.000 0.469 474 K N 0.386 120.207 120.400 -0.965 0.000 2.362 474 K HA 0.006 4.327 4.320 0.002 0.000 0.200 474 K C -0.076 175.662 176.600 -1.437 0.000 1.046 474 K CA 0.639 56.236 56.287 -1.150 0.000 0.952 474 K CB 0.014 31.699 32.500 -1.357 0.000 0.753 474 K HN 0.231 nan 8.250 nan 0.000 0.466 475 F N 1.237 120.741 119.950 -0.744 0.000 2.389 475 F HA 0.293 4.821 4.527 0.002 0.000 0.327 475 F C -2.353 173.179 175.800 -0.446 0.000 1.204 475 F CA -2.859 54.500 58.000 -1.069 0.000 1.209 475 F CB 0.366 38.966 39.000 -0.667 0.000 1.460 475 F HN -0.314 nan 8.300 nan 0.000 0.537 476 P HA -0.146 nan 4.420 nan 0.000 0.266 476 P C -0.205 177.009 177.300 -0.144 0.000 1.162 476 P CA 0.628 63.686 63.100 -0.069 0.000 0.758 476 P CB 0.458 32.063 31.700 -0.157 0.000 0.774 477 V N 1.189 121.032 119.914 -0.118 0.000 3.765 477 V HA -0.203 3.918 4.120 0.002 0.000 0.447 477 V C -0.312 175.525 176.094 -0.428 0.000 0.680 477 V CA 0.568 62.652 62.300 -0.359 0.000 1.894 477 V CB -2.160 29.207 31.823 -0.761 0.000 2.321 477 V HN 0.683 nan 8.190 nan 0.000 0.492 478 H N 2.930 121.920 119.070 -0.133 0.000 2.467 478 H HA 0.547 5.104 4.556 0.002 0.000 0.326 478 H C -0.145 175.029 175.328 -0.257 0.000 1.094 478 H CA -0.109 55.886 56.048 -0.088 0.000 1.253 478 H CB 1.037 30.842 29.762 0.073 0.000 1.439 478 H HN 0.738 nan 8.280 nan 0.000 0.479 479 W N 3.725 124.753 121.300 -0.452 0.000 2.315 479 W HA 0.348 5.009 4.660 0.002 0.000 0.316 479 W C 1.123 177.464 176.519 -0.297 0.000 1.211 479 W CA -0.474 56.523 57.345 -0.580 0.000 1.201 479 W CB 0.925 30.074 29.460 -0.519 0.000 1.184 479 W HN 0.771 nan 8.180 nan 0.000 0.544 480 G N 3.083 111.318 108.800 -0.941 0.000 2.432 480 G HA2 0.301 4.262 3.960 0.002 0.000 0.219 480 G HA3 0.301 4.262 3.960 0.002 0.000 0.219 480 G C 0.664 175.217 174.900 -0.580 0.000 1.135 480 G CA 0.799 45.643 45.100 -0.427 0.000 0.767 480 G HN 1.392 nan 8.290 nan 0.000 0.550 481 G N -0.436 107.328 108.800 -1.727 0.000 2.466 481 G HA2 -0.130 3.831 3.960 0.002 0.000 0.316 481 G HA3 -0.130 3.831 3.960 0.002 0.000 0.316 481 G C 0.178 174.592 174.900 -0.811 0.000 1.270 481 G CA 0.131 44.386 45.100 -1.408 0.000 0.982 481 G HN 0.118 nan 8.290 nan 0.000 0.506 482 D N -0.242 119.996 120.400 -0.269 0.000 2.323 482 D HA -0.107 4.534 4.640 0.002 0.000 0.271 482 D C 1.261 177.537 176.300 -0.041 0.000 1.395 482 D CA 2.166 56.134 54.000 -0.054 0.000 1.158 482 D CB -0.892 39.930 40.800 0.036 0.000 1.976 482 D HN 1.739 nan 8.370 nan 0.000 0.644 483 C N -1.212 118.121 119.300 0.056 0.000 0.275 483 C HA -0.156 4.305 4.460 0.002 0.000 0.041 483 C C -0.277 174.816 174.990 0.172 0.000 0.185 483 C CA -0.885 58.260 59.018 0.212 0.000 0.707 483 C CB -2.075 25.837 27.740 0.287 0.000 3.186 483 C HN 0.290 nan 8.230 nan 0.000 1.105 484 Y N 1.056 121.450 120.300 0.155 0.000 2.334 484 Y HA 0.486 5.037 4.550 0.002 0.000 0.325 484 Y C 0.947 176.970 175.900 0.205 0.000 1.308 484 Y CA 0.067 58.242 58.100 0.126 0.000 1.389 484 Y CB 0.598 39.125 38.460 0.110 0.000 1.328 484 Y HN 0.898 nan 8.280 nan 0.000 0.532 485 A N 2.560 125.543 122.820 0.273 0.000 3.056 485 A HA 0.391 4.712 4.320 0.002 0.000 0.274 485 A C -0.742 176.976 177.584 0.224 0.000 1.661 485 A CA -0.249 51.934 52.037 0.242 0.000 1.363 485 A CB -1.843 17.211 19.000 0.091 0.000 1.139 485 A HN 0.789 nan 8.150 nan 0.000 0.598 486 N N -2.212 116.666 118.700 0.297 0.000 2.708 486 N HA 0.332 5.073 4.740 0.002 0.000 0.257 486 N C 0.010 175.582 175.510 0.103 0.000 1.373 486 N CA -0.853 52.257 53.050 0.101 0.000 0.843 486 N CB 0.419 38.987 38.487 0.136 0.000 1.503 486 N HN 0.026 nan 8.380 nan 0.000 0.504 487 Y N -0.323 120.108 120.300 0.219 0.000 2.224 487 Y HA -0.147 4.404 4.550 0.002 0.000 0.289 487 Y C 1.445 177.417 175.900 0.120 0.000 1.146 487 Y CA 1.258 59.476 58.100 0.196 0.000 1.182 487 Y CB 0.061 38.674 38.460 0.255 0.000 0.983 487 Y HN 0.630 nan 8.280 nan 0.000 0.524 488 E N 0.171 120.507 120.200 0.226 0.000 2.110 488 E HA -0.121 4.230 4.350 0.002 0.000 0.193 488 E C 1.384 178.045 176.600 0.101 0.000 0.988 488 E CA 0.822 57.285 56.400 0.105 0.000 0.804 488 E CB -0.264 29.483 29.700 0.078 0.000 0.745 488 E HN 0.089 nan 8.360 nan 0.000 0.458 492 E N 0.459 120.720 120.200 0.102 0.000 2.077 492 E HA -0.141 4.210 4.350 0.002 0.000 0.193 492 E C 2.077 178.884 176.600 0.344 0.000 0.989 492 E CA 1.434 57.949 56.400 0.191 0.000 0.800 492 E CB -0.087 29.719 29.700 0.176 0.000 0.746 492 E HN 0.545 nan 8.360 nan 0.000 0.452 493 S N 0.639 116.570 115.700 0.385 0.000 2.359 493 S HA -0.185 4.286 4.470 0.002 0.000 0.224 493 S C 1.980 176.843 174.600 0.438 0.000 1.035 493 S CA 1.099 59.641 58.200 0.570 0.000 1.018 493 S CB -0.241 63.400 63.200 0.734 0.000 0.876 493 S HN 0.193 nan 8.310 nan 0.000 0.448 494 L N 2.314 123.731 121.223 0.323 0.000 2.012 494 L HA -0.046 4.295 4.340 0.002 0.000 0.210 494 L C 2.476 179.257 176.870 -0.149 0.000 1.073 494 L CA 1.875 56.765 54.840 0.082 0.000 0.748 494 L CB -0.867 41.147 42.059 -0.075 0.000 0.891 494 L HN 0.276 nan 8.230 nan 0.000 0.431 495 R N -0.599 119.866 120.500 -0.059 0.000 2.117 495 R HA -0.151 4.190 4.340 0.002 0.000 0.243 495 R C 2.170 178.321 176.300 -0.248 0.000 1.143 495 R CA 1.252 57.283 56.100 -0.116 0.000 0.968 495 R CB -1.073 29.202 30.300 -0.041 0.000 0.863 495 R HN 0.609 nan 8.270 nan 0.000 0.444 496 G N 0.309 108.972 108.800 -0.229 0.000 2.404 496 G HA2 -0.204 3.757 3.960 0.002 0.000 0.215 496 G HA3 -0.204 3.757 3.960 0.002 0.000 0.215 496 G C 1.526 175.998 174.900 -0.713 0.000 1.174 496 G CA 0.792 45.595 45.100 -0.495 0.000 0.780 496 G HN 0.452 nan 8.290 nan 0.000 0.537 497 G N 0.650 108.734 108.800 -1.194 0.000 2.418 497 G HA2 -0.099 3.862 3.960 0.002 0.000 0.217 497 G HA3 -0.099 3.862 3.960 0.002 0.000 0.217 497 G C 1.706 175.975 174.900 -1.052 0.000 1.158 497 G CA 0.795 44.579 45.100 -2.193 0.000 0.771 497 G HN 0.295 nan 8.290 nan 0.000 0.545 498 L N 1.421 122.237 121.223 -0.678 0.000 2.017 498 L HA -0.027 4.314 4.340 0.002 0.000 0.208 498 L C 3.122 179.799 176.870 -0.322 0.000 1.073 498 L CA 1.763 56.366 54.840 -0.395 0.000 0.745 498 L CB -0.935 40.976 42.059 -0.247 0.000 0.894 498 L HN 0.180 nan 8.230 nan 0.000 0.432 499 S N -0.724 114.774 115.700 -0.337 0.000 2.382 499 S HA -0.153 4.318 4.470 0.002 0.000 0.228 499 S C 2.039 176.476 174.600 -0.273 0.000 1.027 499 S CA 1.254 59.294 58.200 -0.267 0.000 0.991 499 S CB -0.359 62.662 63.200 -0.299 0.000 0.823 499 S HN 0.422 nan 8.310 nan 0.000 0.469 500 I N 1.435 121.777 120.570 -0.380 0.000 2.394 500 I HA -0.109 4.063 4.170 0.002 0.000 0.251 500 I C 2.283 178.307 176.117 -0.154 0.000 1.136 500 I CA 1.026 62.122 61.300 -0.341 0.000 1.425 500 I CB -0.577 37.161 38.000 -0.438 0.000 1.079 500 I HN 0.378 nan 8.210 nan 0.000 0.425 501 G N 1.092 109.778 108.800 -0.191 0.000 2.418 501 G HA2 -0.200 3.761 3.960 0.002 0.000 0.217 501 G HA3 -0.200 3.761 3.960 0.002 0.000 0.217 501 G C 1.386 176.241 174.900 -0.075 0.000 1.158 501 G CA 0.178 45.209 45.100 -0.115 0.000 0.771 501 G HN 0.279 nan 8.290 nan 0.000 0.545 502 L N 1.402 122.570 121.223 -0.091 0.000 2.622 502 L HA 0.145 4.486 4.340 0.002 0.000 0.233 502 L C 1.623 178.524 176.870 0.051 0.000 1.156 502 L CA 0.968 55.783 54.840 -0.043 0.000 0.866 502 L CB -0.419 41.605 42.059 -0.057 0.000 0.980 502 L HN 0.138 nan 8.230 nan 0.000 0.448 503 S N -1.042 114.682 115.700 0.039 0.000 2.593 503 S HA 0.398 4.869 4.470 0.002 0.000 0.236 503 S C 1.403 176.045 174.600 0.070 0.000 0.991 503 S CA 0.461 58.717 58.200 0.095 0.000 0.963 503 S CB 0.935 64.169 63.200 0.057 0.000 0.865 503 S HN 0.549 nan 8.310 nan 0.000 0.488 504 G N 1.255 110.070 108.800 0.025 0.000 2.176 504 G HA2 -0.225 3.736 3.960 0.002 0.000 0.232 504 G HA3 -0.225 3.736 3.960 0.002 0.000 0.232 504 G C -0.195 174.635 174.900 -0.118 0.000 0.986 504 G CA -0.554 44.539 45.100 -0.011 0.000 0.643 504 G HN 0.401 nan 8.290 nan 0.000 0.522 505 F N 1.300 121.159 119.950 -0.151 0.000 2.405 505 F HA 0.597 5.125 4.527 0.002 0.000 0.355 505 F C 1.547 177.246 175.800 -0.168 0.000 1.121 505 F CA 0.020 57.928 58.000 -0.152 0.000 1.112 505 F CB 1.748 40.640 39.000 -0.179 0.000 1.126 505 F HN 0.003 nan 8.300 nan 0.000 0.481 506 G N 2.854 111.583 108.800 -0.118 0.000 2.683 506 G HA2 0.057 4.018 3.960 0.002 0.000 0.213 506 G HA3 0.057 4.018 3.960 0.002 0.000 0.213 506 G C -0.136 174.290 174.900 -0.790 0.000 1.142 506 G CA 0.314 45.138 45.100 -0.459 0.000 0.793 506 G HN 0.357 nan 8.290 nan 0.000 0.534 507 F N -2.035 117.990 119.950 0.124 0.000 2.576 507 F HA 0.657 5.185 4.527 0.002 0.000 0.313 507 F C -1.015 174.909 175.800 0.207 0.000 1.078 507 F CA -1.508 56.569 58.000 0.129 0.000 0.921 507 F CB 2.091 41.078 39.000 -0.020 0.000 1.232 507 F HN 0.003 nan 8.300 nan 0.000 0.459 508 W N 2.586 123.942 121.300 0.093 0.000 3.211 508 W HA 0.625 5.286 4.660 0.002 0.000 0.335 508 W C -1.402 175.089 176.519 -0.046 0.000 1.113 508 W CA -0.908 56.421 57.345 -0.026 0.000 1.235 508 W CB 1.858 31.268 29.460 -0.082 0.000 1.365 508 W HN 0.562 nan 8.180 nan 0.000 0.476 509 S N 3.670 118.930 115.700 -0.734 0.000 2.607 509 S HA 0.916 5.387 4.470 0.002 0.000 0.303 509 S C -0.878 173.163 174.600 -0.932 0.000 1.086 509 S CA -0.651 57.137 58.200 -0.687 0.000 0.995 509 S CB 2.151 64.814 63.200 -0.897 0.000 1.084 509 S HN 0.758 nan 8.310 nan 0.000 0.507 510 H N -1.788 116.832 119.070 -0.751 0.000 2.981 510 H HA 0.637 5.194 4.556 0.002 0.000 0.327 510 H C -1.973 173.274 175.328 -0.135 0.000 1.342 510 H CA -1.197 54.474 56.048 -0.628 0.000 1.123 510 H CB 0.690 29.938 29.762 -0.857 0.000 1.851 510 H HN 0.437 nan 8.280 nan 0.000 0.531 511 D N 0.841 121.219 120.400 -0.037 0.000 2.210 511 D HA 0.206 4.847 4.640 0.002 0.000 0.249 511 D C -0.071 176.013 176.300 -0.360 0.000 1.062 511 D CA -0.483 53.485 54.000 -0.052 0.000 0.891 511 D CB 1.896 42.817 40.800 0.201 0.000 1.186 511 D HN 0.297 nan 8.370 nan 0.000 0.432 512 I N 2.211 122.595 120.570 -0.311 0.000 2.460 512 I HA 0.154 4.325 4.170 0.002 0.000 0.297 512 I C 1.340 177.115 176.117 -0.571 0.000 1.139 512 I CA 0.261 61.298 61.300 -0.438 0.000 1.340 512 I CB -0.035 37.843 38.000 -0.203 0.000 1.444 512 I HN 0.228 nan 8.210 nan 0.000 0.557 520 P HA 0.309 nan 4.420 nan 0.000 0.263 520 P C 1.328 178.549 177.300 -0.131 0.000 1.175 520 P CA 0.666 63.702 63.100 -0.108 0.000 0.761 520 P CB 0.919 32.446 31.700 -0.288 0.000 0.794 521 A N 3.107 125.918 122.820 -0.015 0.000 1.940 521 A HA -0.248 4.073 4.320 0.002 0.000 0.219 521 A C 1.917 179.523 177.584 0.037 0.000 1.176 521 A CA 2.086 54.133 52.037 0.018 0.000 0.631 521 A CB -1.494 17.514 19.000 0.013 0.000 0.814 521 A HN 0.871 nan 8.150 nan 0.000 0.446 522 H N -1.781 117.346 119.070 0.094 0.000 2.387 522 H HA 0.002 4.559 4.556 0.002 0.000 0.299 522 H C 1.581 177.143 175.328 0.389 0.000 1.090 522 H CA 1.360 57.535 56.048 0.211 0.000 1.332 522 H CB -0.773 29.284 29.762 0.492 0.000 1.386 522 H HN 0.111 nan 8.280 nan 0.000 0.516 523 V N 0.742 120.504 119.914 -0.253 0.000 2.295 523 V HA -0.291 3.830 4.120 0.002 0.000 0.246 523 V C 2.348 178.606 176.094 0.272 0.000 1.049 523 V CA 2.080 64.326 62.300 -0.090 0.000 1.024 523 V CB -0.924 30.683 31.823 -0.359 0.000 0.648 523 V HN 0.486 nan 8.190 nan 0.000 0.447 524 Y N 1.369 121.726 120.300 0.095 0.000 2.114 524 Y HA -0.300 4.251 4.550 0.002 0.000 0.282 524 Y C 2.506 178.533 175.900 0.212 0.000 1.165 524 Y CA 2.086 60.273 58.100 0.144 0.000 1.148 524 Y CB -0.284 38.196 38.460 0.034 0.000 0.972 524 Y HN 0.169 nan 8.280 nan 0.000 0.504 525 K N -0.490 120.006 120.400 0.159 0.000 2.097 525 K HA -0.165 4.156 4.320 0.002 0.000 0.206 525 K C 2.139 178.877 176.600 0.229 0.000 1.049 525 K CA 1.295 57.646 56.287 0.107 0.000 0.933 525 K CB -0.101 32.399 32.500 -0.001 0.000 0.717 525 K HN 0.169 nan 8.250 nan 0.000 0.442 526 R N 0.287 121.012 120.500 0.376 0.000 2.075 526 R HA -0.125 4.216 4.340 0.002 0.000 0.232 526 R C 1.920 178.354 176.300 0.222 0.000 1.126 526 R CA 0.955 57.242 56.100 0.312 0.000 0.963 526 R CB -0.722 29.823 30.300 0.410 0.000 0.858 526 R HN 0.445 nan 8.270 nan 0.000 0.435 527 W N 1.060 122.429 121.300 0.114 0.000 2.374 527 W HA -0.181 4.481 4.660 0.002 0.000 0.288 527 W C 2.016 178.536 176.519 0.003 0.000 1.218 527 W CA 0.288 57.715 57.345 0.137 0.000 1.245 527 W CB -0.529 28.995 29.460 0.107 0.000 1.126 527 W HN 0.074 nan 8.180 nan 0.000 0.545 528 C N 0.105 119.461 119.300 0.093 0.000 2.413 528 C HA -0.199 4.262 4.460 0.002 0.000 0.277 528 C C 3.099 178.017 174.990 -0.120 0.000 1.228 528 C CA 1.999 60.980 59.018 -0.061 0.000 1.731 528 C CB -1.517 26.158 27.740 -0.109 0.000 2.042 528 C HN 0.373 nan 8.230 nan 0.000 0.468 529 A N -0.368 122.233 122.820 -0.364 0.000 1.883 529 A HA -0.249 4.072 4.320 0.002 0.000 0.217 529 A C 2.076 179.620 177.584 -0.067 0.000 1.186 529 A CA 2.012 53.599 52.037 -0.750 0.000 0.624 529 A CB -1.038 17.516 19.000 -0.743 0.000 0.822 529 A HN 0.669 nan 8.150 nan 0.000 0.444 530 F N 0.713 120.643 119.950 -0.033 0.000 2.102 530 F HA -0.105 4.423 4.527 0.002 0.000 0.298 530 F C 2.340 178.335 175.800 0.325 0.000 1.105 530 F CA 1.169 59.280 58.000 0.184 0.000 1.239 530 F CB -0.364 38.733 39.000 0.162 0.000 0.991 530 F HN 0.293 nan 8.300 nan 0.000 0.474 531 G N 1.221 110.097 108.800 0.127 0.000 2.459 531 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 531 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 531 G C 1.429 176.350 174.900 0.035 0.000 1.183 531 G CA 0.862 45.876 45.100 -0.144 0.000 0.776 531 G HN 0.309 nan 8.290 nan 0.000 0.552 532 L N 0.122 121.417 121.223 0.120 0.000 2.376 532 L HA 0.211 4.552 4.340 0.002 0.000 0.219 532 L C 1.995 179.023 176.870 0.263 0.000 1.133 532 L CA 0.766 55.728 54.840 0.204 0.000 0.816 532 L CB -0.666 41.560 42.059 0.278 0.000 0.933 532 L HN 0.224 nan 8.230 nan 0.000 0.449 533 L N -0.604 120.802 121.223 0.304 0.000 2.928 533 L HA 0.134 4.475 4.340 0.002 0.000 0.236 533 L C 0.182 177.323 176.870 0.452 0.000 1.290 533 L CA -0.094 54.974 54.840 0.381 0.000 1.099 533 L CB -0.128 42.170 42.059 0.398 0.000 1.437 533 L HN 0.073 nan 8.230 nan 0.000 0.493 534 S N -1.951 113.959 115.700 0.350 0.000 2.671 534 S HA 0.234 4.705 4.470 0.002 0.000 0.299 534 S C 0.997 175.759 174.600 0.269 0.000 1.116 534 S CA -0.237 58.161 58.200 0.329 0.000 0.912 534 S CB 1.957 65.359 63.200 0.337 0.000 1.130 534 S HN 0.318 nan 8.310 nan 0.000 0.501 535 S N 0.685 116.551 115.700 0.277 0.000 2.359 535 S HA -0.123 4.348 4.470 0.002 0.000 0.224 535 S C 0.146 174.646 174.600 -0.166 0.000 1.035 535 S CA 1.268 59.617 58.200 0.249 0.000 1.018 535 S CB -0.525 62.960 63.200 0.474 0.000 0.876 535 S HN 0.770 nan 8.310 nan 0.000 0.448 536 H N 0.351 119.414 119.070 -0.012 0.000 2.679 536 H HA 0.720 5.278 4.556 0.002 0.000 0.360 536 H C -0.840 174.439 175.328 -0.081 0.000 1.105 536 H CA -0.206 55.771 56.048 -0.119 0.000 1.196 536 H CB 2.151 31.716 29.762 -0.327 0.000 1.636 536 H HN 0.409 nan 8.280 nan 0.000 0.531 537 S N 2.336 118.070 115.700 0.056 0.000 2.540 537 S HA 0.642 5.113 4.470 0.002 0.000 0.275 537 S C -0.794 173.854 174.600 0.081 0.000 1.123 537 S CA -1.166 57.034 58.200 0.000 0.000 0.907 537 S CB 2.527 65.730 63.200 0.006 0.000 1.081 537 S HN 0.656 nan 8.310 nan 0.000 0.476 538 R N 1.377 121.898 120.500 0.034 0.000 2.480 538 R HA 0.566 4.907 4.340 0.002 0.000 0.306 538 R C -1.645 174.701 176.300 0.077 0.000 0.958 538 R CA -0.938 55.225 56.100 0.105 0.000 0.861 538 R CB 1.118 31.448 30.300 0.051 0.000 1.171 538 R HN 0.671 nan 8.270 nan 0.000 0.445 539 L N 4.543 125.849 121.223 0.138 0.000 2.278 539 L HA 0.291 4.632 4.340 0.002 0.000 0.287 539 L C -0.965 176.014 176.870 0.182 0.000 1.072 539 L CA 0.072 55.012 54.840 0.167 0.000 0.819 539 L CB 0.594 42.789 42.059 0.226 0.000 1.176 539 L HN 0.653 nan 8.230 nan 0.000 0.435 540 H N 5.036 124.160 119.070 0.089 0.000 2.556 540 H HA 0.574 5.132 4.556 0.002 0.000 0.310 540 H C 0.610 176.000 175.328 0.102 0.000 1.057 540 H CA 0.058 56.143 56.048 0.061 0.000 1.264 540 H CB 0.704 30.479 29.762 0.022 0.000 1.404 540 H HN 1.036 nan 8.280 nan 0.000 0.462 553 D N -0.921 119.496 120.400 0.029 0.000 2.277 553 D HA -0.030 4.611 4.640 0.002 0.000 0.209 553 D C 1.186 177.522 176.300 0.060 0.000 0.970 553 D CA 0.497 54.520 54.000 0.039 0.000 0.874 553 D CB 0.414 41.234 40.800 0.034 0.000 0.982 553 D HN 0.492 nan 8.370 nan 0.000 0.504 554 E N 0.106 120.341 120.200 0.059 0.000 2.152 554 E HA -0.077 4.274 4.350 0.002 0.000 0.192 554 E C 1.857 178.517 176.600 0.100 0.000 0.983 554 E CA 0.445 56.890 56.400 0.074 0.000 0.818 554 E CB 0.289 30.021 29.700 0.052 0.000 0.758 554 E HN 0.010 nan 8.360 nan 0.000 0.467 555 S N 0.066 115.829 115.700 0.105 0.000 2.383 555 S HA -0.197 4.274 4.470 0.002 0.000 0.229 555 S C 2.056 176.790 174.600 0.224 0.000 1.030 555 S CA 1.125 59.449 58.200 0.206 0.000 1.002 555 S CB -0.354 62.992 63.200 0.243 0.000 0.829 555 S HN 0.458 nan 8.310 nan 0.000 0.467 556 C N 1.773 121.167 119.300 0.157 0.000 2.440 556 C HA -0.051 4.410 4.460 0.002 0.000 0.278 556 C C 2.450 177.530 174.990 0.149 0.000 1.295 556 C CA 0.266 59.368 59.018 0.140 0.000 1.738 556 C CB -1.184 26.607 27.740 0.084 0.000 1.987 556 C HN 0.559 nan 8.230 nan 0.000 0.492 557 D N 0.614 121.099 120.400 0.141 0.000 2.144 557 D HA -0.098 4.543 4.640 0.002 0.000 0.199 557 D C 2.186 178.612 176.300 0.211 0.000 0.984 557 D CA 1.107 55.195 54.000 0.148 0.000 0.834 557 D CB -0.312 40.559 40.800 0.119 0.000 0.955 557 D HN 0.294 nan 8.370 nan 0.000 0.465 558 V N 0.890 120.953 119.914 0.249 0.000 2.295 558 V HA -0.197 3.924 4.120 0.002 0.000 0.246 558 V C 2.703 179.079 176.094 0.470 0.000 1.049 558 V CA 1.016 63.549 62.300 0.388 0.000 1.024 558 V CB -0.422 31.616 31.823 0.358 0.000 0.648 558 V HN 0.042 nan 8.190 nan 0.000 0.447 559 V N -0.134 119.973 119.914 0.323 0.000 2.343 559 V HA -0.260 3.861 4.120 0.002 0.000 0.247 559 V C 2.540 178.793 176.094 0.265 0.000 1.051 559 V CA 2.352 64.826 62.300 0.290 0.000 1.036 559 V CB -0.789 31.174 31.823 0.233 0.000 0.654 559 V HN 0.463 nan 8.190 nan 0.000 0.451 560 R N -0.830 119.795 120.500 0.209 0.000 2.073 560 R HA -0.185 4.157 4.340 0.002 0.000 0.234 560 R C 2.294 178.654 176.300 0.101 0.000 1.134 560 R CA 1.996 58.180 56.100 0.140 0.000 0.952 560 R CB -0.418 29.947 30.300 0.107 0.000 0.850 560 R HN 0.466 nan 8.270 nan 0.000 0.433 561 F N 0.492 120.413 119.950 -0.047 0.000 2.025 561 F HA -0.255 4.273 4.527 0.002 0.000 0.297 561 F C 1.668 177.257 175.800 -0.351 0.000 1.132 561 F CA 1.925 59.760 58.000 -0.276 0.000 1.191 561 F CB -0.477 38.248 39.000 -0.457 0.000 0.963 561 F HN -0.026 nan 8.300 nan 0.000 0.481 562 F N -0.266 119.800 119.950 0.194 0.000 2.407 562 F HA -0.110 4.418 4.527 0.002 0.000 0.299 562 F C 2.412 178.238 175.800 0.043 0.000 1.097 562 F CA 1.377 59.434 58.000 0.095 0.000 1.422 562 F CB -1.205 37.940 39.000 0.242 0.000 1.067 562 F HN -0.095 nan 8.300 nan 0.000 0.539 563 T N -0.654 114.026 114.554 0.211 0.000 2.812 563 T HA -0.174 4.177 4.350 0.002 0.000 0.264 563 T C 1.917 176.674 174.700 0.096 0.000 1.042 563 T CA 1.230 63.444 62.100 0.191 0.000 1.140 563 T CB -0.233 68.765 68.868 0.217 0.000 0.870 563 T HN 0.310 nan 8.240 nan 0.000 0.445 564 Q N 0.206 119.993 119.800 -0.022 0.000 2.084 564 Q HA -0.040 4.301 4.340 0.002 0.000 0.202 564 Q C 2.353 178.262 176.000 -0.153 0.000 0.978 564 Q CA 1.000 56.747 55.803 -0.094 0.000 0.844 564 Q CB -0.361 28.259 28.738 -0.196 0.000 0.898 564 Q HN 0.298 nan 8.270 nan 0.000 0.426 565 L N 1.508 122.549 121.223 -0.304 0.000 2.012 565 L HA -0.236 4.105 4.340 0.002 0.000 0.210 565 L C 2.224 179.068 176.870 -0.044 0.000 1.073 565 L CA 1.950 56.610 54.840 -0.300 0.000 0.748 565 L CB -0.425 41.359 42.059 -0.458 0.000 0.891 565 L HN 0.041 nan 8.230 nan 0.000 0.431 566 K N -1.373 119.064 120.400 0.062 0.000 2.057 566 K HA -0.184 4.137 4.320 0.002 0.000 0.207 566 K C 2.148 178.820 176.600 0.120 0.000 1.049 566 K CA 1.765 58.131 56.287 0.133 0.000 0.931 566 K CB -0.341 32.270 32.500 0.185 0.000 0.714 566 K HN 0.524 nan 8.250 nan 0.000 0.440 567 C N 1.011 120.382 119.300 0.119 0.000 2.413 567 C HA -0.027 4.434 4.460 0.002 0.000 0.277 567 C C 1.649 176.777 174.990 0.230 0.000 1.265 567 C CA 0.146 59.274 59.018 0.184 0.000 1.752 567 C CB -0.913 26.931 27.740 0.173 0.000 1.998 567 C HN 0.436 nan 8.230 nan 0.000 0.489 572 Y N 0.988 121.152 120.300 -0.226 0.000 2.153 572 Y HA 0.023 4.575 4.550 0.002 0.000 0.289 572 Y C 1.839 177.649 175.900 -0.151 0.000 1.119 572 Y CA 1.082 59.106 58.100 -0.128 0.000 1.116 572 Y CB -0.741 37.684 38.460 -0.059 0.000 1.004 572 Y HN -0.219 nan 8.280 nan 0.000 0.501 573 L N 0.023 121.052 121.223 -0.323 0.000 1.997 573 L HA -0.293 4.048 4.340 0.002 0.000 0.216 573 L C 2.389 178.995 176.870 -0.439 0.000 1.074 573 L CA 2.047 56.658 54.840 -0.381 0.000 0.763 573 L CB -1.899 40.077 42.059 -0.138 0.000 0.890 573 L HN 0.433 nan 8.230 nan 0.000 0.434 574 Y N -0.374 119.518 120.300 -0.679 0.000 2.274 574 Y HA -0.242 4.309 4.550 0.002 0.000 0.290 574 Y C 2.833 178.474 175.900 -0.431 0.000 1.145 574 Y CA 1.421 59.088 58.100 -0.723 0.000 1.203 574 Y CB 0.008 37.803 38.460 -1.109 0.000 0.984 574 Y HN 0.078 nan 8.280 nan 0.000 0.533 575 R N 0.562 120.869 120.500 -0.322 0.000 2.115 575 R HA -0.119 4.222 4.340 0.002 0.000 0.226 575 R C 1.679 177.826 176.300 -0.255 0.000 1.100 575 R CA 1.344 57.314 56.100 -0.216 0.000 0.980 575 R CB -0.124 30.103 30.300 -0.121 0.000 0.875 575 R HN 0.363 nan 8.270 nan 0.000 0.445 576 E N 0.329 120.316 120.200 -0.354 0.000 2.150 576 E HA -0.081 4.270 4.350 0.002 0.000 0.193 576 E C 1.791 178.261 176.600 -0.218 0.000 0.985 576 E CA 1.093 57.307 56.400 -0.310 0.000 0.814 576 E CB -0.179 29.253 29.700 -0.447 0.000 0.752 576 E HN 0.341 nan 8.360 nan 0.000 0.466 577 A N 1.352 124.036 122.820 -0.227 0.000 1.969 577 A HA -0.041 4.280 4.320 0.002 0.000 0.218 577 A C 2.381 179.939 177.584 -0.043 0.000 1.169 577 A CA 1.727 53.749 52.037 -0.024 0.000 0.635 577 A CB -0.412 18.552 19.000 -0.060 0.000 0.810 577 A HN 0.248 nan 8.150 nan 0.000 0.445 578 A N -0.512 122.180 122.820 -0.213 0.000 1.969 578 A HA -0.120 4.201 4.320 0.002 0.000 0.218 578 A C 2.202 179.745 177.584 -0.068 0.000 1.169 578 A CA 1.480 53.443 52.037 -0.124 0.000 0.635 578 A CB -0.446 18.483 19.000 -0.119 0.000 0.810 578 A HN 0.522 nan 8.150 nan 0.000 0.445 579 R N -0.525 119.917 120.500 -0.096 0.000 2.096 579 R HA -0.097 4.244 4.340 0.002 0.000 0.235 579 R C 2.318 178.563 176.300 -0.092 0.000 1.127 579 R CA 1.210 57.256 56.100 -0.090 0.000 0.968 579 R CB -0.312 29.923 30.300 -0.108 0.000 0.861 579 R HN 0.489 nan 8.270 nan 0.000 0.440 580 A N 1.147 123.899 122.820 -0.113 0.000 1.902 580 A HA -0.203 4.118 4.320 0.002 0.000 0.217 580 A C 1.927 179.471 177.584 -0.066 0.000 1.181 580 A CA 1.584 53.525 52.037 -0.159 0.000 0.623 580 A CB -0.775 17.989 19.000 -0.394 0.000 0.818 580 A HN 0.497 nan 8.150 nan 0.000 0.443 581 N N 0.310 119.025 118.700 0.026 0.000 2.244 581 N HA -0.079 4.662 4.740 0.002 0.000 0.183 581 N C 1.755 177.252 175.510 -0.022 0.000 1.016 581 N CA 1.450 54.520 53.050 0.034 0.000 0.866 581 N CB -0.156 38.375 38.487 0.074 0.000 0.980 581 N HN 0.363 nan 8.380 nan 0.000 0.430 582 A N 0.541 123.342 122.820 -0.032 0.000 1.943 582 A HA 0.153 4.474 4.320 0.002 0.000 0.213 582 A C 2.068 179.618 177.584 -0.056 0.000 1.181 582 A CA 0.472 52.485 52.037 -0.040 0.000 0.653 582 A CB 0.133 19.113 19.000 -0.034 0.000 0.833 582 A HN 0.151 nan 8.150 nan 0.000 0.451 583 R N -1.922 118.538 120.500 -0.067 0.000 2.373 583 R HA 0.219 4.560 4.340 0.002 0.000 0.221 583 R C 1.144 177.392 176.300 -0.086 0.000 0.893 583 R CA 0.794 56.851 56.100 -0.072 0.000 1.049 583 R CB 0.112 30.371 30.300 -0.068 0.000 1.119 583 R HN 0.817 nan 8.270 nan 0.000 0.535 584 G N 1.356 110.095 108.800 -0.103 0.000 2.143 584 G HA2 -0.250 3.711 3.960 0.002 0.000 0.249 584 G HA3 -0.250 3.711 3.960 0.002 0.000 0.249 584 G C 0.023 174.847 174.900 -0.128 0.000 0.981 584 G CA 0.565 45.591 45.100 -0.123 0.000 0.665 584 G HN 0.228 nan 8.290 nan 0.000 0.528 585 T N 4.073 118.551 114.554 -0.127 0.000 2.743 585 T HA 0.465 4.816 4.350 0.002 0.000 0.290 585 T C -1.074 173.520 174.700 -0.177 0.000 0.908 585 T CA -0.159 61.864 62.100 -0.128 0.000 1.092 585 T CB 1.835 70.636 68.868 -0.111 0.000 0.882 585 T HN 0.393 nan 8.240 nan 0.000 0.531 595 F N 0.606 120.561 119.950 0.008 0.000 2.646 595 F HA 0.415 4.943 4.527 0.002 0.000 0.336 595 F C -2.034 173.767 175.800 0.001 0.000 1.437 595 F CA -1.640 56.378 58.000 0.030 0.000 1.142 595 F CB 1.382 40.428 39.000 0.077 0.000 1.530 595 F HN -0.088 nan 8.300 nan 0.000 0.591 596 P HA -0.183 nan 4.420 nan 0.000 0.216 596 P C 0.883 178.213 177.300 0.051 0.000 1.154 596 P CA 1.587 64.698 63.100 0.018 0.000 0.865 596 P CB 0.290 31.978 31.700 -0.020 0.000 0.789 597 D N -1.383 119.064 120.400 0.078 0.000 2.349 597 D HA -0.034 4.607 4.640 0.002 0.000 0.224 597 D C 0.209 176.566 176.300 0.095 0.000 1.029 597 D CA 0.652 54.699 54.000 0.078 0.000 0.879 597 D CB -0.302 40.543 40.800 0.075 0.000 0.906 597 D HN 0.221 nan 8.370 nan 0.000 0.528 598 D N 0.668 121.141 120.400 0.123 0.000 2.359 598 D HA 0.126 4.767 4.640 0.002 0.000 0.230 598 D C -1.682 174.645 176.300 0.046 0.000 1.118 598 D CA -2.332 51.731 54.000 0.105 0.000 0.844 598 D CB 2.041 42.935 40.800 0.156 0.000 1.059 598 D HN -0.177 nan 8.370 nan 0.000 0.493 599 P HA -0.093 nan 4.420 nan 0.000 0.218 599 P C 0.814 178.103 177.300 -0.019 0.000 1.148 599 P CA 0.928 64.039 63.100 0.018 0.000 0.822 599 P CB 0.240 31.955 31.700 0.026 0.000 0.784 600 A N -1.760 120.986 122.820 -0.123 0.000 2.209 600 A HA -0.078 4.243 4.320 0.002 0.000 0.212 600 A C 1.885 179.252 177.584 -0.362 0.000 1.158 600 A CA 0.922 52.763 52.037 -0.327 0.000 0.742 600 A CB -1.386 17.154 19.000 -0.766 0.000 0.790 600 A HN 0.250 nan 8.150 nan 0.000 0.472 601 C N -0.647 118.555 119.300 -0.164 0.000 2.912 601 C HA 0.083 4.544 4.460 0.002 0.000 0.274 601 C C 1.770 176.759 174.990 -0.001 0.000 1.248 601 C CA -0.136 58.837 59.018 -0.075 0.000 1.694 601 C CB -0.573 27.177 27.740 0.017 0.000 2.024 601 C HN 0.581 nan 8.230 nan 0.000 0.605 602 D N 1.385 121.789 120.400 0.006 0.000 2.157 602 D HA -0.196 4.445 4.640 0.002 0.000 0.191 602 D C 1.099 177.293 176.300 -0.176 0.000 1.004 602 D CA 1.976 55.929 54.000 -0.077 0.000 0.854 602 D CB -0.248 40.461 40.800 -0.152 0.000 0.936 602 D HN 0.586 nan 8.370 nan 0.000 0.446 603 Y N -0.600 119.742 120.300 0.069 0.000 2.467 603 Y HA 0.202 4.753 4.550 0.002 0.000 0.250 603 Y C 0.342 176.284 175.900 0.071 0.000 1.155 603 Y CA -0.703 57.435 58.100 0.065 0.000 1.249 603 Y CB 0.196 38.670 38.460 0.023 0.000 1.146 603 Y HN -0.174 nan 8.280 nan 0.000 0.524 604 L N 3.015 124.346 121.223 0.180 0.000 2.628 604 L HA -0.071 4.270 4.340 0.002 0.000 0.274 604 L C 0.835 177.770 176.870 0.108 0.000 1.209 604 L CA 0.501 55.420 54.840 0.132 0.000 0.930 604 L CB -0.036 42.047 42.059 0.039 0.000 1.183 604 L HN 0.374 nan 8.230 nan 0.000 0.492 605 D N 1.410 121.871 120.400 0.103 0.000 2.516 605 D HA 0.025 4.667 4.640 0.002 0.000 0.241 605 D C 0.981 177.309 176.300 0.046 0.000 1.246 605 D CA -0.085 53.951 54.000 0.060 0.000 0.808 605 D CB 0.247 41.069 40.800 0.036 0.000 1.147 605 D HN 0.463 nan 8.370 nan 0.000 0.527 606 R N 0.542 121.091 120.500 0.081 0.000 2.468 606 R HA 0.211 4.552 4.340 0.002 0.000 0.280 606 R C 0.403 176.827 176.300 0.207 0.000 0.963 606 R CA 0.074 56.242 56.100 0.113 0.000 1.083 606 R CB 0.659 30.998 30.300 0.066 0.000 1.200 606 R HN 0.409 nan 8.270 nan 0.000 0.541 607 Q N -0.358 119.542 119.800 0.167 0.000 2.648 607 Q HA 0.436 4.777 4.340 0.002 0.000 0.300 607 Q C -1.367 174.759 176.000 0.211 0.000 0.954 607 Q CA -1.130 54.732 55.803 0.097 0.000 0.757 607 Q CB 1.660 30.378 28.738 -0.034 0.000 1.482 607 Q HN 0.024 nan 8.270 nan 0.000 0.437 611 G N 2.535 111.426 108.800 0.152 0.000 2.685 611 G HA2 -0.214 3.748 3.960 0.002 0.000 0.387 611 G HA3 -0.214 3.748 3.960 0.002 0.000 0.387 611 G C 0.118 175.105 174.900 0.144 0.000 1.324 611 G CA -0.037 45.096 45.100 0.055 0.000 0.878 611 G HN 0.529 nan 8.290 nan 0.000 0.527 612 D N 0.266 120.738 120.400 0.120 0.000 2.178 612 D HA -0.058 4.583 4.640 0.002 0.000 0.201 612 D C 1.918 178.296 176.300 0.130 0.000 0.980 612 D CA 1.834 55.890 54.000 0.093 0.000 0.842 612 D CB -0.045 40.786 40.800 0.052 0.000 0.948 612 D HN 0.463 nan 8.370 nan 0.000 0.472 613 N N -0.913 117.911 118.700 0.207 0.000 2.170 613 N HA 0.116 4.857 4.740 0.002 0.000 0.222 613 N C -0.276 175.252 175.510 0.030 0.000 1.218 613 N CA -0.085 52.996 53.050 0.053 0.000 0.889 613 N CB 1.568 39.999 38.487 -0.094 0.000 1.083 613 N HN -0.106 nan 8.380 nan 0.000 0.520 617 A N 5.203 127.763 122.820 -0.432 0.000 2.702 617 A HA 0.880 5.202 4.320 0.002 0.000 0.305 617 A C -2.908 174.540 177.584 -0.227 0.000 1.213 617 A CA -1.543 50.319 52.037 -0.291 0.000 0.745 617 A CB 1.007 19.790 19.000 -0.361 0.000 1.161 617 A HN 0.543 nan 8.150 nan 0.000 0.445 618 P HA 0.178 nan 4.420 nan 0.000 0.268 618 P C 0.204 177.190 177.300 -0.524 0.000 1.208 618 P CA 0.053 62.912 63.100 -0.401 0.000 0.777 618 P CB 0.841 32.148 31.700 -0.656 0.000 0.875 619 V N 1.438 121.072 119.914 -0.466 0.000 2.472 619 V HA 0.451 4.572 4.120 0.002 0.000 0.290 619 V C -0.523 175.238 176.094 -0.555 0.000 1.037 619 V CA -0.219 61.887 62.300 -0.323 0.000 0.908 619 V CB 0.458 32.220 31.823 -0.101 0.000 0.985 619 V HN 0.321 nan 8.190 nan 0.000 0.454 620 F N 3.722 123.528 119.950 -0.239 0.000 2.850 620 F HA 0.441 4.969 4.527 0.002 0.000 0.306 620 F C 0.954 176.139 175.800 -1.025 0.000 1.162 620 F CA 0.063 57.730 58.000 -0.555 0.000 1.327 620 F CB 0.376 39.215 39.000 -0.268 0.000 0.953 620 F HN 0.816 nan 8.300 nan 0.000 0.507 621 T N -4.652 109.529 114.554 -0.622 0.000 2.900 621 T HA 0.273 4.624 4.350 0.002 0.000 0.303 621 T C 0.618 175.252 174.700 -0.109 0.000 1.142 621 T CA -0.709 61.152 62.100 -0.399 0.000 1.007 621 T CB 2.391 71.184 68.868 -0.125 0.000 1.156 621 T HN 0.202 nan 8.240 nan 0.000 0.490 622 E N 0.947 121.197 120.200 0.083 0.000 2.107 622 E HA -0.019 4.332 4.350 0.002 0.000 0.191 622 E C 2.177 178.773 176.600 -0.008 0.000 0.982 622 E CA 1.049 57.507 56.400 0.096 0.000 0.809 622 E CB -0.412 29.096 29.700 -0.319 0.000 0.756 622 E HN 0.790 nan 8.360 nan 0.000 0.459 623 A N 0.172 122.970 122.820 -0.037 0.000 2.067 623 A HA 0.058 4.379 4.320 0.002 0.000 0.219 623 A C 1.919 179.444 177.584 -0.098 0.000 1.158 623 A CA 1.459 53.462 52.037 -0.056 0.000 0.661 623 A CB -0.586 18.396 19.000 -0.030 0.000 0.801 623 A HN 0.567 nan 8.150 nan 0.000 0.452 624 G N -1.069 107.675 108.800 -0.094 0.000 2.163 624 G HA2 -0.161 3.800 3.960 0.002 0.000 0.213 624 G HA3 -0.161 3.800 3.960 0.002 0.000 0.213 624 G C -0.423 174.482 174.900 0.008 0.000 0.991 624 G CA 0.088 45.141 45.100 -0.079 0.000 0.653 624 G HN 0.484 nan 8.290 nan 0.000 0.518 625 D N 0.265 120.667 120.400 0.004 0.000 2.390 625 D HA 0.467 5.108 4.640 0.002 0.000 0.249 625 D C 0.032 176.390 176.300 0.096 0.000 1.144 625 D CA 0.557 54.583 54.000 0.043 0.000 0.880 625 D CB 2.390 43.201 40.800 0.018 0.000 1.182 625 D HN 0.439 nan 8.370 nan 0.000 0.451 626 V N 2.058 122.075 119.914 0.171 0.000 2.969 626 V HA 0.269 4.390 4.120 0.002 0.000 0.304 626 V C -1.710 174.571 176.094 0.311 0.000 1.192 626 V CA -0.560 61.889 62.300 0.249 0.000 0.962 626 V CB 2.363 34.358 31.823 0.287 0.000 1.045 626 V HN 0.473 nan 8.190 nan 0.000 0.428 627 Q N 5.100 125.102 119.800 0.336 0.000 2.356 627 Q HA 0.776 5.117 4.340 0.002 0.000 0.270 627 Q C -1.550 174.769 176.000 0.533 0.000 1.058 627 Q CA -0.479 55.527 55.803 0.340 0.000 0.802 627 Q CB 2.761 31.648 28.738 0.248 0.000 1.303 627 Q HN 0.749 nan 8.270 nan 0.000 0.444 628 F N -1.121 119.000 119.950 0.284 0.000 2.668 628 F HA 0.603 5.131 4.527 0.002 0.000 0.309 628 F C -1.861 173.676 175.800 -0.438 0.000 1.117 628 F CA -1.341 56.602 58.000 -0.095 0.000 0.951 628 F CB 0.998 39.916 39.000 -0.136 0.000 1.323 628 F HN 0.494 nan 8.300 nan 0.000 0.451 629 Y N 2.384 122.095 120.300 -0.982 0.000 2.420 629 Y HA 0.817 5.368 4.550 0.002 0.000 0.334 629 Y C -1.648 173.859 175.900 -0.654 0.000 1.094 629 Y CA -1.422 55.981 58.100 -1.161 0.000 1.126 629 Y CB 1.651 39.077 38.460 -1.724 0.000 1.217 629 Y HN 0.747 nan 8.280 nan 0.000 0.462 630 L N 7.707 128.040 121.223 -1.484 0.000 2.381 630 L HA 0.494 4.835 4.340 0.002 0.000 0.274 630 L C -2.486 173.534 176.870 -1.418 0.000 0.988 630 L CA -2.135 51.892 54.840 -1.354 0.000 0.824 630 L CB 2.181 43.550 42.059 -1.150 0.000 1.263 630 L HN 0.534 nan 8.230 nan 0.000 0.410 631 P HA -0.005 nan 4.420 nan 0.000 0.274 631 P C -0.494 176.744 177.300 -0.103 0.000 1.260 631 P CA -0.451 62.334 63.100 -0.525 0.000 0.793 631 P CB 0.483 31.647 31.700 -0.893 0.000 1.048 632 E N 0.228 120.441 120.200 0.021 0.000 2.534 632 E HA 0.229 4.580 4.350 0.002 0.000 0.264 632 E C 0.219 176.919 176.600 0.167 0.000 0.981 632 E CA 0.848 57.306 56.400 0.097 0.000 0.948 632 E CB -0.385 29.374 29.700 0.098 0.000 0.934 632 E HN 0.645 nan 8.360 nan 0.000 0.459 633 G N 2.777 111.650 108.800 0.122 0.000 2.381 633 G HA2 -0.119 3.842 3.960 0.002 0.000 0.672 633 G HA3 -0.119 3.842 3.960 0.002 0.000 0.672 633 G C -1.217 173.730 174.900 0.077 0.000 1.324 633 G CA -0.444 44.669 45.100 0.023 0.000 0.975 633 G HN 0.636 nan 8.290 nan 0.000 0.593 634 R N -0.254 120.215 120.500 -0.051 0.000 2.265 634 R HA 0.600 4.941 4.340 0.002 0.000 0.328 634 R C -0.786 175.504 176.300 -0.016 0.000 0.969 634 R CA -0.739 55.395 56.100 0.056 0.000 0.832 634 R CB 0.565 30.888 30.300 0.039 0.000 1.139 634 R HN 0.487 nan 8.270 nan 0.000 0.457 635 W N 2.136 123.440 121.300 0.007 0.000 2.436 635 W HA 0.420 5.081 4.660 0.002 0.000 0.347 635 W C -0.173 176.475 176.519 0.215 0.000 1.136 635 W CA -0.363 57.023 57.345 0.068 0.000 1.286 635 W CB 1.859 31.325 29.460 0.011 0.000 1.253 635 W HN 0.334 nan 8.180 nan 0.000 0.617 636 T N 1.452 116.274 114.554 0.447 0.000 2.848 636 T HA 0.100 4.451 4.350 0.002 0.000 0.285 636 T C -0.704 174.070 174.700 0.122 0.000 0.995 636 T CA -0.635 61.688 62.100 0.373 0.000 0.970 636 T CB 0.957 70.104 68.868 0.464 0.000 0.976 636 T HN 0.297 nan 8.240 nan 0.000 0.441 637 H N 3.089 122.020 119.070 -0.232 0.000 2.848 637 H HA 0.075 4.632 4.556 0.002 0.000 0.341 637 H C 1.000 176.120 175.328 -0.347 0.000 1.060 637 H CA -0.418 55.173 56.048 -0.761 0.000 1.444 637 H CB 0.828 30.120 29.762 -0.782 0.000 1.446 637 H HN 0.527 nan 8.280 nan 0.000 0.583 638 L N 5.849 126.724 121.223 -0.580 0.000 2.051 638 L HA -0.222 4.119 4.340 0.002 0.000 0.214 638 L C 1.703 178.696 176.870 0.206 0.000 1.076 638 L CA 2.540 57.304 54.840 -0.128 0.000 0.758 638 L CB -0.536 41.472 42.059 -0.085 0.000 0.890 638 L HN 0.862 nan 8.230 nan 0.000 0.433 639 W N -5.202 116.215 121.300 0.195 0.000 2.661 639 W HA 0.281 4.942 4.660 0.002 0.000 0.288 639 W C 1.808 178.335 176.519 0.013 0.000 1.014 639 W CA -0.098 57.281 57.345 0.057 0.000 1.396 639 W CB -0.692 28.752 29.460 -0.026 0.000 0.963 639 W HN -0.063 nan 8.180 nan 0.000 0.584 640 H N 1.121 120.029 119.070 -0.271 0.000 2.502 640 H HA 0.033 4.591 4.556 0.002 0.000 0.283 640 H C 0.805 176.089 175.328 -0.074 0.000 1.015 640 H CA 1.302 57.151 56.048 -0.331 0.000 1.298 640 H CB -0.238 29.029 29.762 -0.825 0.000 1.411 640 H HN 0.209 nan 8.280 nan 0.000 0.556 641 N N 0.836 119.609 118.700 0.122 0.000 2.863 641 N HA -0.187 4.554 4.740 0.002 0.000 0.245 641 N C -0.962 174.635 175.510 0.146 0.000 1.001 641 N CA 1.124 54.262 53.050 0.147 0.000 0.901 641 N CB -1.228 37.335 38.487 0.126 0.000 1.124 641 N HN 0.684 nan 8.380 nan 0.000 0.582 642 D N -0.448 120.040 120.400 0.146 0.000 2.339 642 D HA 0.353 4.994 4.640 0.002 0.000 0.245 642 D C -0.113 176.339 176.300 0.253 0.000 1.115 642 D CA -0.110 53.985 54.000 0.159 0.000 0.917 642 D CB 0.804 41.681 40.800 0.128 0.000 1.192 642 D HN 0.221 nan 8.370 nan 0.000 0.428 643 E N 0.485 120.805 120.200 0.199 0.000 2.195 643 E HA 0.549 4.900 4.350 0.002 0.000 0.271 643 E C -0.748 175.929 176.600 0.130 0.000 0.923 643 E CA -0.937 55.589 56.400 0.209 0.000 0.790 643 E CB 1.947 31.738 29.700 0.152 0.000 1.155 643 E HN 0.385 nan 8.360 nan 0.000 0.402 644 L N 1.994 123.274 121.223 0.096 0.000 2.401 644 L HA 0.404 4.745 4.340 0.002 0.000 0.266 644 L C -0.644 176.252 176.870 0.044 0.000 0.991 644 L CA -1.082 53.706 54.840 -0.086 0.000 0.818 644 L CB 2.034 43.781 42.059 -0.520 0.000 1.321 644 L HN 0.401 nan 8.230 nan 0.000 0.413 645 D N 1.175 121.621 120.400 0.076 0.000 2.264 645 D HA 0.392 5.033 4.640 0.002 0.000 0.249 645 D C 0.218 176.592 176.300 0.123 0.000 1.070 645 D CA 0.090 54.162 54.000 0.119 0.000 0.912 645 D CB 2.160 43.012 40.800 0.086 0.000 1.193 645 D HN 0.651 nan 8.370 nan 0.000 0.427 646 G N -0.793 108.072 108.800 0.109 0.000 2.510 646 G HA2 0.336 4.297 3.960 0.002 0.000 0.280 646 G HA3 0.336 4.297 3.960 0.002 0.000 0.280 646 G C 0.055 174.885 174.900 -0.116 0.000 1.386 646 G CA -0.330 44.750 45.100 -0.033 0.000 1.047 646 G HN 0.474 nan 8.290 nan 0.000 0.527 647 S N -1.897 113.660 115.700 -0.239 0.000 3.586 647 S HA -0.171 4.300 4.470 0.002 0.000 0.309 647 S C 0.298 174.909 174.600 0.019 0.000 1.195 647 S CA 1.725 59.889 58.200 -0.059 0.000 0.895 647 S CB -1.369 61.856 63.200 0.041 0.000 0.983 647 S HN 1.202 nan 8.310 nan 0.000 0.563 648 R N -2.276 118.067 120.500 -0.262 0.000 2.741 648 R HA 0.633 4.974 4.340 0.002 0.000 0.276 648 R C -1.622 174.505 176.300 -0.288 0.000 1.028 648 R CA -1.220 54.843 56.100 -0.062 0.000 0.865 648 R CB 0.240 30.452 30.300 -0.147 0.000 1.268 648 R HN 0.079 nan 8.270 nan 0.000 0.475 649 W N 0.636 121.779 121.300 -0.262 0.000 2.375 649 W HA 0.497 5.158 4.660 0.002 0.000 0.336 649 W C 0.262 176.321 176.519 -0.766 0.000 1.160 649 W CA 0.314 57.436 57.345 -0.371 0.000 1.266 649 W CB 0.948 30.297 29.460 -0.184 0.000 1.195 649 W HN 0.300 nan 8.180 nan 0.000 0.599 650 H N 1.222 120.064 119.070 -0.379 0.000 2.895 650 H HA 0.366 4.923 4.556 0.002 0.000 0.373 650 H C -1.074 173.999 175.328 -0.425 0.000 1.174 650 H CA -1.096 54.634 56.048 -0.530 0.000 1.144 650 H CB 2.563 31.771 29.762 -0.923 0.000 1.793 650 H HN 0.228 nan 8.280 nan 0.000 0.551 651 K N 2.165 122.521 120.400 -0.072 0.000 2.397 651 K HA 0.365 4.686 4.320 0.002 0.000 0.253 651 K C -1.128 175.504 176.600 0.054 0.000 0.932 651 K CA -0.418 55.874 56.287 0.009 0.000 0.795 651 K CB 1.681 34.181 32.500 0.000 0.000 1.159 651 K HN 0.654 nan 8.250 nan 0.000 0.424 652 Q N 1.868 121.747 119.800 0.133 0.000 2.553 652 Q HA 0.254 4.595 4.340 0.002 0.000 0.293 652 Q C -1.569 174.431 176.000 -0.001 0.000 1.038 652 Q CA -1.022 54.816 55.803 0.059 0.000 0.777 652 Q CB 2.908 31.743 28.738 0.162 0.000 1.487 652 Q HN 0.527 nan 8.270 nan 0.000 0.426 653 Q N 1.065 120.752 119.800 -0.188 0.000 2.310 653 Q HA 0.335 4.676 4.340 0.002 0.000 0.270 653 Q C -1.571 174.230 176.000 -0.331 0.000 1.025 653 Q CA -0.372 55.340 55.803 -0.151 0.000 0.772 653 Q CB 1.206 29.880 28.738 -0.107 0.000 1.253 653 Q HN 0.585 nan 8.270 nan 0.000 0.450 654 H N 1.885 120.933 119.070 -0.036 0.000 2.569 654 H HA 0.437 4.994 4.556 0.002 0.000 0.357 654 H C 0.011 175.272 175.328 -0.112 0.000 1.153 654 H CA -0.411 55.614 56.048 -0.039 0.000 1.193 654 H CB 2.046 31.824 29.762 0.026 0.000 1.602 654 H HN 0.871 nan 8.280 nan 0.000 0.523 655 G N 0.329 109.154 108.800 0.041 0.000 2.621 655 G HA2 0.147 4.108 3.960 0.002 0.000 0.271 655 G HA3 0.147 4.108 3.960 0.002 0.000 0.271 655 G C 0.335 175.216 174.900 -0.032 0.000 1.236 655 G CA -0.491 44.573 45.100 -0.061 0.000 0.958 655 G HN 0.558 nan 8.290 nan 0.000 0.512 656 F N -1.021 119.031 119.950 0.169 0.000 2.546 656 F HA 0.105 4.633 4.527 0.002 0.000 0.298 656 F C 2.007 177.950 175.800 0.238 0.000 1.120 656 F CA 0.489 58.610 58.000 0.202 0.000 1.456 656 F CB 0.138 39.255 39.000 0.194 0.000 1.088 656 F HN 0.029 nan 8.300 nan 0.000 0.572 657 L N -1.231 120.145 121.223 0.255 0.000 2.741 657 L HA 0.217 4.558 4.340 0.002 0.000 0.237 657 L C 0.504 177.426 176.870 0.088 0.000 1.178 657 L CA -0.031 54.770 54.840 -0.066 0.000 0.973 657 L CB -0.133 41.650 42.059 -0.460 0.000 1.255 657 L HN -0.037 nan 8.230 nan 0.000 0.498 658 S N 0.765 116.729 115.700 0.439 0.000 2.638 658 S HA 0.884 5.355 4.470 0.002 0.000 0.274 658 S C -1.251 173.536 174.600 0.312 0.000 1.157 658 S CA -0.568 57.977 58.200 0.576 0.000 0.826 658 S CB 1.913 65.485 63.200 0.620 0.000 1.139 658 S HN 0.206 nan 8.310 nan 0.000 0.474 659 L N -1.290 119.927 121.223 -0.009 0.000 2.921 659 L HA 0.623 4.964 4.340 0.002 0.000 0.261 659 L C -3.266 173.277 176.870 -0.545 0.000 0.984 659 L CA -1.849 52.694 54.840 -0.495 0.000 0.951 659 L CB 1.308 43.287 42.059 -0.134 0.000 1.495 659 L HN 0.378 nan 8.230 nan 0.000 0.414 660 P HA 0.259 nan 4.420 nan 0.000 0.265 660 P C -0.923 176.103 177.300 -0.457 0.000 1.222 660 P CA 0.067 62.915 63.100 -0.420 0.000 0.767 660 P CB 0.949 32.129 31.700 -0.867 0.000 0.801 661 V N 5.730 125.223 119.914 -0.702 0.000 2.454 661 V HA 0.247 4.368 4.120 0.002 0.000 0.267 661 V C -0.862 174.697 176.094 -0.891 0.000 0.993 661 V CA -0.530 61.366 62.300 -0.673 0.000 0.836 661 V CB -0.131 31.328 31.823 -0.606 0.000 1.055 661 V HN 0.388 nan 8.190 nan 0.000 0.452 662 Y N 1.793 121.840 120.300 -0.422 0.000 2.361 662 Y HA 0.648 5.199 4.550 0.002 0.000 0.332 662 Y C 0.292 176.206 175.900 0.023 0.000 1.101 662 Y CA -0.816 57.175 58.100 -0.180 0.000 1.137 662 Y CB 2.027 40.453 38.460 -0.056 0.000 1.207 662 Y HN 0.314 nan 8.280 nan 0.000 0.463 663 V N 4.467 124.380 119.914 -0.003 0.000 2.427 663 V HA 0.374 4.495 4.120 0.002 0.000 0.286 663 V C 0.309 176.188 176.094 -0.357 0.000 1.034 663 V CA -1.245 60.860 62.300 -0.325 0.000 0.893 663 V CB 1.211 32.382 31.823 -1.087 0.000 0.982 663 V HN 0.720 nan 8.190 nan 0.000 0.452 664 R N 2.482 122.619 120.500 -0.604 0.000 2.784 664 R HA 0.086 4.427 4.340 0.002 0.000 0.266 664 R C -0.093 175.828 176.300 -0.632 0.000 1.044 664 R CA -0.384 55.045 56.100 -1.117 0.000 1.151 664 R CB 0.525 30.301 30.300 -0.874 0.000 1.037 664 R HN 0.965 nan 8.270 nan 0.000 0.478 665 D N 1.176 121.215 120.400 -0.602 0.000 2.398 665 D HA -0.018 4.623 4.640 0.002 0.000 0.247 665 D C -0.242 175.927 176.300 -0.218 0.000 1.227 665 D CA -0.341 53.487 54.000 -0.287 0.000 0.980 665 D CB 0.247 40.891 40.800 -0.260 0.000 1.106 665 D HN 0.573 nan 8.370 nan 0.000 0.493 666 N N -1.251 117.373 118.700 -0.126 0.000 2.727 666 N HA -0.151 4.590 4.740 0.002 0.000 0.249 666 N C -0.918 174.566 175.510 -0.044 0.000 1.048 666 N CA 0.987 53.977 53.050 -0.101 0.000 0.714 666 N CB -1.542 36.814 38.487 -0.219 0.000 0.959 666 N HN 0.550 nan 8.380 nan 0.000 0.544 667 T N 0.658 115.226 114.554 0.024 0.000 2.885 667 T HA 0.617 4.968 4.350 0.002 0.000 0.285 667 T C -0.086 174.732 174.700 0.196 0.000 1.019 667 T CA -0.561 61.569 62.100 0.050 0.000 1.010 667 T CB 2.424 71.241 68.868 -0.084 0.000 1.022 667 T HN 0.145 nan 8.240 nan 0.000 0.466 668 L N 3.533 124.852 121.223 0.160 0.000 2.442 668 L HA 0.547 4.888 4.340 0.002 0.000 0.261 668 L C -1.109 175.906 176.870 0.242 0.000 1.000 668 L CA -0.400 54.570 54.840 0.218 0.000 0.882 668 L CB 0.506 42.642 42.059 0.127 0.000 1.207 668 L HN 0.593 nan 8.230 nan 0.000 0.443 669 L N 3.304 124.715 121.223 0.314 0.000 2.421 669 L HA 0.783 5.124 4.340 0.002 0.000 0.263 669 L C 0.166 177.186 176.870 0.252 0.000 1.122 669 L CA -0.600 54.369 54.840 0.215 0.000 0.804 669 L CB 1.701 43.861 42.059 0.168 0.000 1.150 669 L HN 0.741 nan 8.230 nan 0.000 0.457 670 A N 4.506 127.405 122.820 0.132 0.000 2.340 670 A HA 0.676 4.998 4.320 0.002 0.000 0.297 670 A C -0.977 176.603 177.584 -0.006 0.000 1.195 670 A CA -0.462 51.541 52.037 -0.057 0.000 0.769 670 A CB 0.631 19.594 19.000 -0.063 0.000 1.163 670 A HN 0.579 nan 8.150 nan 0.000 0.472 671 L N 2.534 123.761 121.223 0.007 0.000 2.346 671 L HA 0.696 5.037 4.340 0.002 0.000 0.274 671 L C 0.945 177.864 176.870 0.081 0.000 1.007 671 L CA -0.857 54.030 54.840 0.079 0.000 0.818 671 L CB 2.122 44.272 42.059 0.153 0.000 1.284 671 L HN 0.776 nan 8.230 nan 0.000 0.424 672 G N 0.365 109.270 108.800 0.175 0.000 2.562 672 G HA2 0.126 4.087 3.960 0.002 0.000 0.275 672 G HA3 0.126 4.087 3.960 0.002 0.000 0.275 672 G C 0.401 175.394 174.900 0.156 0.000 1.196 672 G CA -0.492 44.787 45.100 0.298 0.000 0.908 672 G HN 0.802 nan 8.290 nan 0.000 0.524 673 N N -0.264 118.488 118.700 0.086 0.000 2.251 673 N HA 0.005 4.746 4.740 0.002 0.000 0.217 673 N C -0.291 175.120 175.510 -0.166 0.000 1.124 673 N CA -0.376 52.659 53.050 -0.025 0.000 0.843 673 N CB 0.395 38.875 38.487 -0.013 0.000 1.024 673 N HN 0.320 nan 8.380 nan 0.000 0.501 674 N N 1.388 119.890 118.700 -0.329 0.000 2.491 674 N HA 0.074 4.816 4.740 0.002 0.000 0.274 674 N C -1.183 174.164 175.510 -0.272 0.000 1.023 674 N CA -0.301 52.430 53.050 -0.531 0.000 0.902 674 N CB 1.413 39.092 38.487 -1.348 0.000 1.267 674 N HN 0.155 nan 8.380 nan 0.000 0.503 675 D N 1.924 122.243 120.400 -0.136 0.000 2.559 675 D HA 0.115 4.757 4.640 0.002 0.000 0.234 675 D C 0.538 176.837 176.300 -0.002 0.000 1.226 675 D CA 0.068 54.040 54.000 -0.047 0.000 0.830 675 D CB 0.729 41.482 40.800 -0.078 0.000 1.028 675 D HN 0.291 nan 8.370 nan 0.000 0.492 676 Q N 0.387 120.189 119.800 0.003 0.000 2.353 676 Q HA 0.254 4.595 4.340 0.002 0.000 0.240 676 Q C -0.073 176.075 176.000 0.246 0.000 0.868 676 Q CA 0.374 56.225 55.803 0.081 0.000 0.944 676 Q CB 0.728 29.474 28.738 0.014 0.000 1.104 676 Q HN 0.444 nan 8.270 nan 0.000 0.531 677 R N -1.913 118.712 120.500 0.208 0.000 2.680 677 R HA 0.419 4.760 4.340 0.002 0.000 0.269 677 R C -2.549 173.939 176.300 0.313 0.000 1.026 677 R CA -1.500 54.758 56.100 0.265 0.000 0.889 677 R CB 0.995 31.460 30.300 0.275 0.000 1.241 677 R HN -0.256 nan 8.270 nan 0.000 0.463 678 P HA -0.062 nan 4.420 nan 0.000 0.219 678 P C -0.631 176.856 177.300 0.312 0.000 1.154 678 P CA 0.964 64.204 63.100 0.235 0.000 0.826 678 P CB 0.008 31.776 31.700 0.114 0.000 0.795 679 D N 0.846 121.394 120.400 0.246 0.000 2.359 679 D HA 0.246 4.887 4.640 0.002 0.000 0.230 679 D C 0.000 176.300 176.300 -0.000 0.000 1.118 679 D CA -0.764 53.268 54.000 0.053 0.000 0.844 679 D CB 0.081 40.938 40.800 0.095 0.000 1.059 679 D HN 0.301 nan 8.370 nan 0.000 0.493 680 Y N -1.682 118.338 120.300 -0.467 0.000 2.895 680 Y HA 0.423 4.974 4.550 0.002 0.000 0.339 680 Y C -1.258 174.130 175.900 -0.854 0.000 1.363 680 Y CA -1.632 56.183 58.100 -0.474 0.000 1.085 680 Y CB 0.455 38.790 38.460 -0.209 0.000 1.500 680 Y HN -0.034 nan 8.280 nan 0.000 0.442 681 V N 2.768 122.512 119.914 -0.285 0.000 2.341 681 V HA -0.057 4.064 4.120 0.002 0.000 0.248 681 V C 0.273 176.218 176.094 -0.250 0.000 1.107 681 V CA -0.301 61.754 62.300 -0.410 0.000 1.069 681 V CB -0.868 30.760 31.823 -0.325 0.000 1.177 681 V HN 0.812 nan 8.190 nan 0.000 0.492 682 W N 3.261 124.457 121.300 -0.173 0.000 2.425 682 W HA -0.090 4.571 4.660 0.002 0.000 0.277 682 W C 2.174 178.686 176.519 -0.012 0.000 1.231 682 W CA 1.400 58.675 57.345 -0.118 0.000 1.248 682 W CB -0.635 28.712 29.460 -0.188 0.000 1.117 682 W HN 0.875 nan 8.180 nan 0.000 0.568 683 H N -0.851 118.331 119.070 0.186 0.000 2.539 683 H HA 0.141 4.698 4.556 0.002 0.000 0.267 683 H C -0.047 175.335 175.328 0.090 0.000 0.982 683 H CA 0.492 56.616 56.048 0.127 0.000 1.146 683 H CB 0.004 29.823 29.762 0.096 0.000 1.382 683 H HN -0.032 nan 8.280 nan 0.000 0.577 684 E N 1.198 121.279 120.200 -0.198 0.000 2.109 684 E HA 0.267 4.618 4.350 0.002 0.000 0.278 684 E C 0.456 177.073 176.600 0.027 0.000 0.954 684 E CA 0.090 56.434 56.400 -0.094 0.000 0.779 684 E CB 0.825 30.406 29.700 -0.198 0.000 1.093 684 E HN 0.671 nan 8.360 nan 0.000 0.401 685 G N 3.826 112.679 108.800 0.088 0.000 2.153 685 G HA2 -0.294 3.667 3.960 0.002 0.000 0.252 685 G HA3 -0.294 3.667 3.960 0.002 0.000 0.252 685 G C 0.559 175.529 174.900 0.116 0.000 0.994 685 G CA 0.825 45.981 45.100 0.094 0.000 0.698 685 G HN 0.616 nan 8.290 nan 0.000 0.521 686 T N -0.166 114.466 114.554 0.131 0.000 2.928 686 T HA 0.550 4.901 4.350 0.002 0.000 0.305 686 T C 0.597 175.287 174.700 -0.016 0.000 1.035 686 T CA 0.971 63.076 62.100 0.008 0.000 1.145 686 T CB 0.862 69.646 68.868 -0.140 0.000 0.963 686 T HN 1.713 nan 8.240 nan 0.000 0.545 687 A N 5.275 128.040 122.820 -0.092 0.000 2.256 687 A HA 0.667 4.988 4.320 0.002 0.000 0.317 687 A C -0.518 176.969 177.584 -0.162 0.000 1.318 687 A CA -0.762 51.258 52.037 -0.029 0.000 0.894 687 A CB 0.026 19.042 19.000 0.028 0.000 1.165 687 A HN 0.764 nan 8.150 nan 0.000 0.525 688 F N 1.769 121.744 119.950 0.042 0.000 2.375 688 F HA 0.429 4.957 4.527 0.002 0.000 0.333 688 F C 0.929 176.625 175.800 -0.173 0.000 1.104 688 F CA 0.240 58.261 58.000 0.034 0.000 1.149 688 F CB 1.088 40.117 39.000 0.049 0.000 1.190 688 F HN 0.486 nan 8.300 nan 0.000 0.533 689 H N 2.849 122.076 119.070 0.263 0.000 2.689 689 H HA 0.352 4.909 4.556 0.002 0.000 0.346 689 H C -1.320 174.042 175.328 0.057 0.000 1.037 689 H CA -0.841 55.255 56.048 0.079 0.000 1.234 689 H CB 2.413 32.211 29.762 0.060 0.000 1.572 689 H HN 0.396 nan 8.280 nan 0.000 0.524 690 L N 3.866 125.082 121.223 -0.012 0.000 2.289 690 L HA 0.395 4.736 4.340 0.002 0.000 0.285 690 L C -1.399 175.377 176.870 -0.157 0.000 1.049 690 L CA -0.248 54.606 54.840 0.023 0.000 0.804 690 L CB 0.214 42.285 42.059 0.020 0.000 1.195 690 L HN 0.327 nan 8.230 nan 0.000 0.428 691 F N 4.275 124.242 119.950 0.028 0.000 2.477 691 F HA 0.421 4.949 4.527 0.002 0.000 0.335 691 F C 0.584 176.358 175.800 -0.043 0.000 1.130 691 F CA -0.947 57.050 58.000 -0.005 0.000 0.948 691 F CB 0.934 39.911 39.000 -0.039 0.000 1.154 691 F HN 0.508 nan 8.300 nan 0.000 0.439 692 N N 3.273 122.040 118.700 0.111 0.000 2.691 692 N HA -0.236 4.505 4.740 0.002 0.000 0.277 692 N C -0.659 174.851 175.510 0.001 0.000 1.029 692 N CA 0.351 53.425 53.050 0.039 0.000 0.798 692 N CB -0.248 38.249 38.487 0.018 0.000 0.922 692 N HN 0.609 nan 8.380 nan 0.000 0.562 693 L N 1.504 122.738 121.223 0.017 0.000 2.385 693 L HA 0.063 4.404 4.340 0.002 0.000 0.281 693 L C 0.786 177.671 176.870 0.026 0.000 1.106 693 L CA 0.035 54.885 54.840 0.017 0.000 0.856 693 L CB 0.373 42.455 42.059 0.038 0.000 1.186 693 L HN 0.262 nan 8.230 nan 0.000 0.453 694 Q N 2.582 122.388 119.800 0.011 0.000 2.306 694 Q HA 0.063 4.404 4.340 0.002 0.000 0.241 694 Q C -0.490 175.618 176.000 0.181 0.000 0.948 694 Q CA -0.528 55.326 55.803 0.085 0.000 0.886 694 Q CB 1.216 29.991 28.738 0.061 0.000 1.227 694 Q HN 0.498 nan 8.270 nan 0.000 0.457 695 D N 0.326 120.802 120.400 0.126 0.000 2.451 695 D HA 0.136 4.777 4.640 0.002 0.000 0.254 695 D C 0.555 176.898 176.300 0.072 0.000 1.204 695 D CA 1.686 55.736 54.000 0.083 0.000 0.896 695 D CB -0.033 40.799 40.800 0.053 0.000 1.136 695 D HN 0.704 nan 8.370 nan 0.000 0.499 696 G N 3.187 111.998 108.800 0.017 0.000 2.130 696 G HA2 -0.181 3.780 3.960 0.002 0.000 0.216 696 G HA3 -0.181 3.780 3.960 0.002 0.000 0.216 696 G C -0.058 174.698 174.900 -0.240 0.000 0.999 696 G CA -0.211 44.833 45.100 -0.093 0.000 0.686 696 G HN 0.691 nan 8.290 nan 0.000 0.515 697 H N -0.307 118.760 119.070 -0.005 0.000 2.747 697 H HA 0.628 5.185 4.556 0.002 0.000 0.371 697 H C -0.712 174.610 175.328 -0.010 0.000 1.161 697 H CA -0.464 55.579 56.048 -0.008 0.000 1.167 697 H CB 2.306 32.063 29.762 -0.008 0.000 1.732 697 H HN 0.360 nan 8.280 nan 0.000 0.544 698 E N 1.180 121.451 120.200 0.119 0.000 2.224 698 E HA 0.583 4.934 4.350 0.002 0.000 0.265 698 E C -1.530 175.099 176.600 0.049 0.000 0.878 698 E CA -0.961 55.471 56.400 0.054 0.000 0.759 698 E CB 1.499 31.206 29.700 0.012 0.000 1.164 698 E HN 0.682 nan 8.360 nan 0.000 0.414 699 A N 4.146 126.983 122.820 0.029 0.000 2.258 699 A HA 0.535 4.856 4.320 0.002 0.000 0.316 699 A C -0.789 176.792 177.584 -0.005 0.000 1.279 699 A CA -0.578 51.471 52.037 0.021 0.000 0.876 699 A CB 0.913 19.934 19.000 0.036 0.000 1.170 699 A HN 0.387 nan 8.150 nan 0.000 0.520 700 V N 1.303 121.211 119.914 -0.010 0.000 2.612 700 V HA 0.578 4.699 4.120 0.002 0.000 0.301 700 V C 0.004 176.092 176.094 -0.011 0.000 1.046 700 V CA -0.587 61.689 62.300 -0.039 0.000 0.946 700 V CB 1.423 33.218 31.823 -0.045 0.000 1.003 700 V HN 1.028 nan 8.190 nan 0.000 0.459 701 C N 3.935 123.214 119.300 -0.034 0.000 2.535 701 C HA 0.630 5.091 4.460 0.002 0.000 0.319 701 C C -0.633 174.365 174.990 0.014 0.000 1.171 701 C CA -0.386 58.662 59.018 0.049 0.000 1.394 701 C CB 0.839 28.679 27.740 0.166 0.000 1.990 701 C HN 1.018 nan 8.230 nan 0.000 0.466 702 E N 4.271 124.507 120.200 0.059 0.000 2.186 702 E HA 0.421 4.772 4.350 0.002 0.000 0.255 702 E C -0.263 176.410 176.600 0.122 0.000 0.881 702 E CA -0.457 55.971 56.400 0.047 0.000 0.752 702 E CB 1.790 31.497 29.700 0.011 0.000 1.176 702 E HN 0.721 nan 8.360 nan 0.000 0.421 703 V N 1.627 121.669 119.914 0.213 0.000 2.649 703 V HA 0.553 4.674 4.120 0.002 0.000 0.292 703 V C -2.350 173.884 176.094 0.233 0.000 1.055 703 V CA -1.641 60.806 62.300 0.245 0.000 1.023 703 V CB 0.714 32.760 31.823 0.371 0.000 0.992 703 V HN 0.480 nan 8.190 nan 0.000 0.480 704 P HA 0.637 nan 4.420 nan 0.000 0.287 704 P C -0.741 176.816 177.300 0.428 0.000 1.292 704 P CA -0.700 62.569 63.100 0.282 0.000 0.879 704 P CB 2.213 34.064 31.700 0.252 0.000 1.214 705 A N 0.366 123.383 122.820 0.329 0.000 2.264 705 A HA 0.561 4.882 4.320 0.002 0.000 0.304 705 A C 1.585 179.342 177.584 0.288 0.000 1.100 705 A CA -0.004 52.185 52.037 0.253 0.000 0.839 705 A CB -0.153 18.929 19.000 0.137 0.000 1.121 705 A HN 0.507 nan 8.150 nan 0.000 0.496 706 A N 0.289 123.131 122.820 0.037 0.000 2.093 706 A HA -0.179 4.143 4.320 0.002 0.000 0.222 706 A C 1.333 179.004 177.584 0.146 0.000 1.162 706 A CA 2.204 54.191 52.037 -0.083 0.000 0.655 706 A CB -0.557 18.315 19.000 -0.213 0.000 0.805 706 A HN 0.875 nan 8.150 nan 0.000 0.461 707 D N -2.691 117.824 120.400 0.192 0.000 2.340 707 D HA 0.278 4.919 4.640 0.002 0.000 0.217 707 D C 1.149 177.613 176.300 0.274 0.000 1.081 707 D CA 0.960 55.088 54.000 0.214 0.000 0.842 707 D CB -0.384 40.493 40.800 0.128 0.000 0.934 707 D HN 0.769 nan 8.370 nan 0.000 0.511 708 G N 0.631 109.666 108.800 0.392 0.000 2.217 708 G HA2 -0.300 3.661 3.960 0.002 0.000 0.246 708 G HA3 -0.300 3.661 3.960 0.002 0.000 0.246 708 G C 0.445 175.442 174.900 0.162 0.000 0.990 708 G CA 0.408 45.681 45.100 0.288 0.000 0.627 708 G HN 0.798 nan 8.290 nan 0.000 0.522 709 S N -0.323 115.466 115.700 0.147 0.000 2.593 709 S HA 0.582 5.053 4.470 0.002 0.000 0.269 709 S C 0.439 175.101 174.600 0.104 0.000 1.334 709 S CA -0.077 58.181 58.200 0.097 0.000 1.015 709 S CB 2.078 65.325 63.200 0.078 0.000 0.912 709 S HN 1.099 nan 8.310 nan 0.000 0.541 710 V N 3.470 123.426 119.914 0.070 0.000 2.415 710 V HA 0.166 4.287 4.120 0.002 0.000 0.267 710 V C 1.119 177.258 176.094 0.075 0.000 1.042 710 V CA -0.068 62.274 62.300 0.070 0.000 1.000 710 V CB -0.010 31.831 31.823 0.030 0.000 1.015 710 V HN 0.981 nan 8.190 nan 0.000 0.478 711 I N 4.284 124.920 120.570 0.110 0.000 3.035 711 I HA 0.310 4.481 4.170 0.002 0.000 0.271 711 I C 0.282 176.498 176.117 0.165 0.000 1.190 711 I CA 0.607 61.956 61.300 0.083 0.000 1.472 711 I CB 0.444 38.453 38.000 0.014 0.000 1.116 711 I HN 0.539 nan 8.210 nan 0.000 0.443 712 F N 0.006 119.961 119.950 0.008 0.000 2.591 712 F HA 0.417 4.945 4.527 0.002 0.000 0.309 712 F C -1.103 174.697 175.800 0.000 0.000 1.098 712 F CA -0.520 57.481 58.000 0.001 0.000 0.937 712 F CB 1.946 40.967 39.000 0.035 0.000 1.250 712 F HN -0.400 nan 8.300 nan 0.000 0.447 713 T N 6.519 120.559 114.554 -0.857 0.000 2.890 713 T HA 0.470 4.821 4.350 0.002 0.000 0.295 713 T C -1.520 172.576 174.700 -1.006 0.000 0.993 713 T CA -0.410 61.285 62.100 -0.674 0.000 0.979 713 T CB 1.341 70.001 68.868 -0.346 0.000 0.967 713 T HN 0.470 nan 8.240 nan 0.000 0.441 714 L N 3.609 124.356 121.223 -0.793 0.000 2.329 714 L HA 0.680 5.021 4.340 0.002 0.000 0.279 714 L C -0.643 175.997 176.870 -0.383 0.000 1.014 714 L CA -0.261 54.138 54.840 -0.734 0.000 0.814 714 L CB 1.068 42.545 42.059 -0.970 0.000 1.257 714 L HN 0.480 nan 8.230 nan 0.000 0.424 715 K N 3.612 123.840 120.400 -0.287 0.000 2.371 715 K HA 0.866 5.187 4.320 0.002 0.000 0.251 715 K C -1.408 175.129 176.600 -0.106 0.000 0.934 715 K CA -0.842 55.351 56.287 -0.158 0.000 0.798 715 K CB 2.183 34.609 32.500 -0.123 0.000 1.204 715 K HN 0.631 nan 8.250 nan 0.000 0.427 716 A N 1.706 124.492 122.820 -0.057 0.000 2.605 716 A HA 0.644 4.965 4.320 0.002 0.000 0.293 716 A C -1.009 176.576 177.584 0.001 0.000 1.216 716 A CA -0.552 51.472 52.037 -0.021 0.000 0.742 716 A CB 0.896 19.892 19.000 -0.007 0.000 1.170 716 A HN 0.676 nan 8.150 nan 0.000 0.443 717 A N 2.171 124.992 122.820 0.001 0.000 2.312 717 A HA 0.825 5.146 4.320 0.002 0.000 0.326 717 A C 0.208 177.803 177.584 0.018 0.000 1.172 717 A CA -0.628 51.416 52.037 0.010 0.000 0.821 717 A CB 0.707 19.705 19.000 -0.003 0.000 1.166 717 A HN 0.830 nan 8.150 nan 0.000 0.493 718 R N 0.997 121.514 120.500 0.029 0.000 2.480 718 R HA 0.548 4.889 4.340 0.002 0.000 0.306 718 R C -1.277 175.034 176.300 0.018 0.000 0.958 718 R CA -0.051 56.066 56.100 0.029 0.000 0.861 718 R CB 1.528 31.857 30.300 0.048 0.000 1.171 718 R HN 0.700 nan 8.270 nan 0.000 0.445 719 T N 3.070 117.631 114.554 0.012 0.000 2.864 719 T HA 0.518 4.869 4.350 0.002 0.000 0.299 719 T C 0.515 175.220 174.700 0.009 0.000 1.011 719 T CA 0.759 62.862 62.100 0.005 0.000 0.975 719 T CB 1.036 69.903 68.868 -0.001 0.000 0.962 719 T HN 0.914 nan 8.240 nan 0.000 0.448 720 G N 5.839 114.645 108.800 0.010 0.000 2.609 720 G HA2 -0.276 3.685 3.960 0.002 0.000 0.288 720 G HA3 -0.276 3.685 3.960 0.002 0.000 0.288 720 G C 0.314 175.224 174.900 0.017 0.000 1.211 720 G CA 0.509 45.616 45.100 0.012 0.000 0.963 720 G HN 0.727 nan 8.290 nan 0.000 0.541 721 N N 0.888 119.597 118.700 0.015 0.000 2.305 721 N HA 0.405 5.146 4.740 0.002 0.000 0.248 721 N C -0.734 174.786 175.510 0.016 0.000 1.290 721 N CA 0.551 53.611 53.050 0.017 0.000 0.873 721 N CB 1.184 39.680 38.487 0.016 0.000 1.261 721 N HN 0.525 nan 8.380 nan 0.000 0.504 722 T N 0.786 115.349 114.554 0.015 0.000 2.779 722 T HA 0.503 4.854 4.350 0.002 0.000 0.280 722 T C 0.056 174.766 174.700 0.016 0.000 0.987 722 T CA -0.295 61.814 62.100 0.014 0.000 0.966 722 T CB 1.322 70.197 68.868 0.011 0.000 0.933 722 T HN -0.027 nan 8.240 nan 0.000 0.442 723 I N 3.021 123.602 120.570 0.018 0.000 2.339 723 I HA 0.278 4.449 4.170 0.002 0.000 0.290 723 I C 0.193 176.321 176.117 0.019 0.000 0.994 723 I CA -0.607 60.705 61.300 0.020 0.000 1.191 723 I CB 1.538 39.552 38.000 0.023 0.000 1.343 723 I HN 0.512 nan 8.210 nan 0.000 0.458 724 T N 6.064 120.627 114.554 0.015 0.000 2.929 724 T HA 0.186 4.537 4.350 0.002 0.000 0.331 724 T C -0.240 174.467 174.700 0.010 0.000 1.120 724 T CA -0.294 61.814 62.100 0.014 0.000 0.973 724 T CB 0.959 69.832 68.868 0.008 0.000 1.036 724 T HN 0.340 nan 8.240 nan 0.000 0.502 725 V N 5.178 125.106 119.914 0.024 0.000 2.432 725 V HA 0.714 4.835 4.120 0.002 0.000 0.271 725 V C 0.109 176.220 176.094 0.027 0.000 1.046 725 V CA -0.038 62.272 62.300 0.017 0.000 0.945 725 V CB 0.808 32.663 31.823 0.054 0.000 0.992 725 V HN 0.922 nan 8.190 nan 0.000 0.471 726 T N 3.733 118.271 114.554 -0.027 0.000 2.841 726 T HA 0.770 5.121 4.350 0.002 0.000 0.285 726 T C -0.119 174.519 174.700 -0.104 0.000 0.991 726 T CA 0.025 62.114 62.100 -0.017 0.000 0.966 726 T CB 1.152 70.007 68.868 -0.023 0.000 0.962 726 T HN 1.141 nan 8.240 nan 0.000 0.438 727 G N 1.330 110.110 108.800 -0.032 0.000 2.400 727 G HA2 0.759 4.720 3.960 0.002 0.000 0.333 727 G HA3 0.759 4.720 3.960 0.002 0.000 0.333 727 G C -0.834 174.032 174.900 -0.056 0.000 1.143 727 G CA -0.882 44.111 45.100 -0.178 0.000 0.914 727 G HN 1.274 nan 8.290 nan 0.000 0.480 728 A N 0.579 123.245 122.820 -0.258 0.000 2.414 728 A HA 0.964 5.285 4.320 0.002 0.000 0.286 728 A C 0.319 177.922 177.584 0.032 0.000 1.073 728 A CA 0.371 52.384 52.037 -0.040 0.000 0.727 728 A CB 1.107 20.057 19.000 -0.084 0.000 1.215 728 A HN 2.458 nan 8.150 nan 0.000 0.430 729 G N 0.801 109.768 108.800 0.278 0.000 2.247 729 G HA2 0.385 4.346 3.960 0.002 0.000 0.229 729 G HA3 0.385 4.346 3.960 0.002 0.000 0.229 729 G C -1.258 173.836 174.900 0.323 0.000 1.345 729 G CA -0.055 45.243 45.100 0.330 0.000 1.100 729 G HN 1.081 nan 8.290 nan 0.000 0.473 730 E N 0.476 120.796 120.200 0.199 0.000 2.155 730 E HA 0.776 5.127 4.350 0.002 0.000 0.264 730 E C -0.250 176.212 176.600 -0.230 0.000 0.886 730 E CA 0.311 56.688 56.400 -0.039 0.000 0.752 730 E CB 1.013 30.635 29.700 -0.130 0.000 1.133 730 E HN 1.800 nan 8.360 nan 0.000 0.414 731 A N 4.214 126.883 122.820 -0.252 0.000 2.565 731 A HA 0.648 4.969 4.320 0.002 0.000 0.298 731 A C -1.502 176.125 177.584 0.071 0.000 1.062 731 A CA -0.872 51.043 52.037 -0.203 0.000 0.723 731 A CB 1.402 19.753 19.000 -1.082 0.000 1.282 731 A HN 0.286 nan 8.150 nan 0.000 0.400 732 K N 1.322 121.837 120.400 0.191 0.000 2.385 732 K HA 0.493 4.814 4.320 0.002 0.000 0.248 732 K C -0.194 176.492 176.600 0.143 0.000 0.955 732 K CA -0.544 55.833 56.287 0.149 0.000 0.816 732 K CB 1.401 33.950 32.500 0.083 0.000 1.250 732 K HN 0.816 nan 8.250 nan 0.000 0.434 733 N N 1.931 120.644 118.700 0.021 0.000 2.716 733 N HA -0.206 4.535 4.740 0.002 0.000 0.250 733 N C -0.342 175.212 175.510 0.074 0.000 1.033 733 N CA 0.917 53.954 53.050 -0.022 0.000 0.727 733 N CB -0.612 37.875 38.487 0.000 0.000 0.950 733 N HN 0.543 nan 8.380 nan 0.000 0.541 734 W N -0.474 120.871 121.300 0.074 0.000 2.332 734 W HA 0.674 5.335 4.660 0.002 0.000 0.351 734 W C 0.386 177.001 176.519 0.160 0.000 1.195 734 W CA -0.410 57.036 57.345 0.167 0.000 1.334 734 W CB 0.440 30.131 29.460 0.386 0.000 1.206 734 W HN -0.022 nan 8.180 nan 0.000 0.637 735 T N 1.424 116.336 114.554 0.597 0.000 2.901 735 T HA 0.554 4.906 4.350 0.002 0.000 0.293 735 T C -1.595 173.445 174.700 0.567 0.000 1.084 735 T CA -0.904 61.414 62.100 0.364 0.000 1.008 735 T CB 1.786 70.743 68.868 0.147 0.000 1.170 735 T HN 0.513 nan 8.240 nan 0.000 0.509 736 L N 3.452 124.872 121.223 0.327 0.000 2.446 736 L HA 0.571 4.912 4.340 0.002 0.000 0.268 736 L C -1.038 175.875 176.870 0.071 0.000 0.975 736 L CA -0.603 54.396 54.840 0.265 0.000 0.848 736 L CB 0.598 42.855 42.059 0.329 0.000 1.225 736 L HN 0.957 nan 8.230 nan 0.000 0.410 737 C N 6.997 126.262 119.300 -0.058 0.000 2.255 737 C HA 0.468 4.929 4.460 0.002 0.000 0.326 737 C C 0.123 175.079 174.990 -0.058 0.000 1.258 737 C CA -0.818 58.151 59.018 -0.082 0.000 1.676 737 C CB -0.028 27.609 27.740 -0.172 0.000 2.314 737 C HN 0.649 nan 8.230 nan 0.000 0.509 738 L N 7.680 128.885 121.223 -0.031 0.000 2.363 738 L HA 0.358 4.699 4.340 0.002 0.000 0.286 738 L C 0.852 177.680 176.870 -0.070 0.000 1.106 738 L CA 0.538 55.350 54.840 -0.047 0.000 0.859 738 L CB -0.459 41.591 42.059 -0.015 0.000 1.223 738 L HN 0.674 nan 8.230 nan 0.000 0.446 739 R N 3.074 123.474 120.500 -0.166 0.000 2.522 739 R HA -0.033 4.308 4.340 0.002 0.000 0.284 739 R C 0.644 176.902 176.300 -0.070 0.000 1.032 739 R CA 0.050 56.044 56.100 -0.176 0.000 1.049 739 R CB -0.312 29.709 30.300 -0.464 0.000 0.956 739 R HN 0.564 nan 8.270 nan 0.000 0.422 740 N N -0.696 117.994 118.700 -0.017 0.000 2.725 740 N HA -0.185 4.556 4.740 0.002 0.000 0.249 740 N C -1.219 174.298 175.510 0.012 0.000 1.103 740 N CA 0.651 53.709 53.050 0.015 0.000 0.707 740 N CB -0.613 37.894 38.487 0.034 0.000 1.043 740 N HN 0.231 nan 8.380 nan 0.000 0.553 741 V N 0.550 120.467 119.914 0.005 0.000 2.325 741 V HA 0.215 4.336 4.120 0.002 0.000 0.280 741 V C 0.960 177.061 176.094 0.012 0.000 1.016 741 V CA -0.481 61.824 62.300 0.008 0.000 0.818 741 V CB 1.471 33.295 31.823 0.002 0.000 1.019 741 V HN 0.103 nan 8.190 nan 0.000 0.434 742 V N 4.492 124.416 119.914 0.016 0.000 2.427 742 V HA 0.027 4.148 4.120 0.002 0.000 0.248 742 V C 0.716 176.819 176.094 0.015 0.000 1.051 742 V CA 2.201 64.511 62.300 0.018 0.000 1.048 742 V CB -0.184 31.650 31.823 0.019 0.000 0.666 742 V HN 1.017 nan 8.190 nan 0.000 0.456 743 K N -0.921 119.487 120.400 0.013 0.000 2.598 743 K HA 0.564 4.885 4.320 0.002 0.000 0.271 743 K C -0.997 175.609 176.600 0.011 0.000 0.947 743 K CA -0.134 56.160 56.287 0.011 0.000 0.854 743 K CB 1.582 34.089 32.500 0.011 0.000 1.401 743 K HN 0.139 nan 8.250 nan 0.000 0.415 744 V N -1.441 118.478 119.914 0.009 0.000 3.181 744 V HA 0.664 4.786 4.120 0.002 0.000 0.314 744 V C -0.665 175.434 176.094 0.008 0.000 1.173 744 V CA -0.424 61.881 62.300 0.010 0.000 1.052 744 V CB 1.917 33.745 31.823 0.010 0.000 1.123 744 V HN 1.008 nan 8.190 nan 0.000 0.454 745 N N -0.411 118.294 118.700 0.008 0.000 2.642 745 N HA 0.600 5.341 4.740 0.002 0.000 0.308 745 N C -0.069 175.445 175.510 0.007 0.000 1.914 745 N CA -0.006 53.048 53.050 0.007 0.000 0.893 745 N CB 1.172 39.663 38.487 0.007 0.000 1.322 745 N HN 1.421 nan 8.380 nan 0.000 0.490 746 G N 1.369 110.173 108.800 0.006 0.000 2.213 746 G HA2 0.147 4.108 3.960 0.002 0.000 0.249 746 G HA3 0.147 4.108 3.960 0.002 0.000 0.249 746 G C -1.817 173.087 174.900 0.007 0.000 2.618 746 G CA -0.569 44.535 45.100 0.006 0.000 0.788 746 G HN 0.205 nan 8.290 nan 0.000 0.498 747 L N 2.797 124.022 121.223 0.004 0.000 2.408 747 L HA 0.517 4.858 4.340 0.002 0.000 0.257 747 L C 0.233 177.104 176.870 0.000 0.000 1.053 747 L CA -0.474 54.368 54.840 0.003 0.000 0.922 747 L CB 1.071 43.129 42.059 -0.001 0.000 1.261 747 L HN 0.699 nan 8.230 nan 0.000 0.458 748 Q N 4.505 124.307 119.800 0.004 0.000 2.344 748 Q HA 0.171 4.512 4.340 0.002 0.000 0.253 748 Q C -0.802 175.198 176.000 0.000 0.000 1.050 748 Q CA 0.171 55.975 55.803 0.002 0.000 0.912 748 Q CB 0.354 29.095 28.738 0.006 0.000 1.258 748 Q HN 0.559 nan 8.270 nan 0.000 0.443 749 D N 2.934 123.330 120.400 -0.007 0.000 2.922 749 D HA -0.111 4.531 4.640 0.002 0.000 0.252 749 D C -0.473 175.810 176.300 -0.029 0.000 1.070 749 D CA 1.125 55.116 54.000 -0.014 0.000 0.813 749 D CB -1.202 39.595 40.800 -0.005 0.000 1.046 749 D HN 0.834 nan 8.370 nan 0.000 0.429 750 G N -0.946 107.833 108.800 -0.035 0.000 2.355 750 G HA2 0.446 4.407 3.960 0.002 0.000 0.296 750 G HA3 0.446 4.407 3.960 0.002 0.000 0.296 750 G C -1.292 173.582 174.900 -0.044 0.000 1.507 750 G CA 0.047 45.115 45.100 -0.053 0.000 0.823 750 G HN 0.277 nan 8.290 nan 0.000 0.569 751 S N -0.828 114.839 115.700 -0.054 0.000 2.578 751 S HA 0.685 5.156 4.470 0.002 0.000 0.283 751 S C -0.056 174.526 174.600 -0.030 0.000 1.195 751 S CA -0.383 57.792 58.200 -0.040 0.000 1.050 751 S CB 1.304 64.475 63.200 -0.047 0.000 1.012 751 S HN 0.556 nan 8.310 nan 0.000 0.511 752 Q N 1.111 120.900 119.800 -0.018 0.000 2.257 752 Q HA 0.820 5.161 4.340 0.002 0.000 0.262 752 Q C -0.756 175.239 176.000 -0.007 0.000 0.997 752 Q CA -0.941 54.856 55.803 -0.010 0.000 0.873 752 Q CB 2.019 30.755 28.738 -0.004 0.000 1.312 752 Q HN 0.834 nan 8.270 nan 0.000 0.450 753 A N 1.226 124.046 122.820 -0.001 0.000 2.599 753 A HA 0.590 4.911 4.320 0.002 0.000 0.290 753 A C -1.591 175.999 177.584 0.009 0.000 1.101 753 A CA -0.762 51.276 52.037 0.003 0.000 0.674 753 A CB 1.730 20.731 19.000 0.001 0.000 1.277 753 A HN 0.562 nan 8.150 nan 0.000 0.419 754 E N 0.477 120.685 120.200 0.013 0.000 2.212 754 E HA 0.703 5.054 4.350 0.002 0.000 0.268 754 E C -0.562 176.054 176.600 0.026 0.000 0.902 754 E CA -0.140 56.272 56.400 0.019 0.000 0.779 754 E CB 2.014 31.724 29.700 0.018 0.000 1.172 754 E HN 0.912 nan 8.360 nan 0.000 0.409 755 S N 0.943 116.663 115.700 0.034 0.000 2.705 755 S HA 0.341 4.812 4.470 0.002 0.000 0.280 755 S C 0.547 175.179 174.600 0.052 0.000 1.174 755 S CA -0.703 57.524 58.200 0.045 0.000 0.823 755 S CB 1.453 64.686 63.200 0.056 0.000 1.162 755 S HN 0.276 nan 8.310 nan 0.000 0.487 756 E N 0.819 121.058 120.200 0.065 0.000 2.106 756 E HA -0.101 4.250 4.350 0.002 0.000 0.192 756 E C 1.585 178.232 176.600 0.078 0.000 0.984 756 E CA 1.372 57.815 56.400 0.072 0.000 0.806 756 E CB -0.313 29.438 29.700 0.085 0.000 0.750 756 E HN 0.731 nan 8.360 nan 0.000 0.458 757 Q N -0.195 119.658 119.800 0.089 0.000 2.425 757 Q HA 0.217 4.558 4.340 0.002 0.000 0.204 757 Q C 0.741 176.775 176.000 0.056 0.000 0.933 757 Q CA 0.466 56.322 55.803 0.088 0.000 0.939 757 Q CB 0.857 29.668 28.738 0.122 0.000 1.044 757 Q HN 0.204 nan 8.270 nan 0.000 0.513 758 G N 0.347 109.176 108.800 0.048 0.000 2.340 758 G HA2 -0.042 3.919 3.960 0.002 0.000 0.282 758 G HA3 -0.042 3.919 3.960 0.002 0.000 0.282 758 G C -1.990 172.925 174.900 0.024 0.000 1.312 758 G CA -1.099 44.017 45.100 0.027 0.000 0.942 758 G HN 0.067 nan 8.290 nan 0.000 0.495 759 L N 1.032 122.263 121.223 0.013 0.000 2.315 759 L HA 0.621 4.962 4.340 0.002 0.000 0.283 759 L C -0.046 176.829 176.870 0.009 0.000 1.089 759 L CA -0.785 54.062 54.840 0.012 0.000 0.833 759 L CB 0.744 42.808 42.059 0.009 0.000 1.170 759 L HN 0.374 nan 8.230 nan 0.000 0.442 760 V N 6.443 126.364 119.914 0.011 0.000 2.348 760 V HA 0.199 4.320 4.120 0.002 0.000 0.270 760 V C 0.143 176.241 176.094 0.007 0.000 1.037 760 V CA -0.522 61.783 62.300 0.008 0.000 0.872 760 V CB 1.343 33.172 31.823 0.011 0.000 1.002 760 V HN 0.472 nan 8.190 nan 0.000 0.464 761 V N 5.290 125.214 119.914 0.016 0.000 2.383 761 V HA 0.364 4.485 4.120 0.002 0.000 0.275 761 V C 0.189 176.270 176.094 -0.023 0.000 1.036 761 V CA -0.742 61.560 62.300 0.004 0.000 0.889 761 V CB 1.503 33.339 31.823 0.021 0.000 0.985 761 V HN 0.803 nan 8.190 nan 0.000 0.459 762 K N 9.253 129.614 120.400 -0.064 0.000 2.264 762 K HA 0.473 4.794 4.320 0.002 0.000 0.277 762 K C -2.297 174.189 176.600 -0.191 0.000 1.067 762 K CA -1.930 54.279 56.287 -0.131 0.000 0.900 762 K CB 1.311 33.752 32.500 -0.099 0.000 1.124 762 K HN 0.375 nan 8.250 nan 0.000 0.469 763 P HA 0.167 nan 4.420 nan 0.000 0.312 763 P C -1.379 175.744 177.300 -0.295 0.000 1.308 763 P CA -0.326 62.576 63.100 -0.330 0.000 0.743 763 P CB 0.546 31.931 31.700 -0.524 0.000 1.364 764 Q N -1.372 118.297 119.800 -0.218 0.000 3.402 764 Q HA 0.558 4.899 4.340 0.002 0.000 0.196 764 Q C -0.617 175.331 176.000 -0.086 0.000 0.825 764 Q CA -0.826 54.888 55.803 -0.149 0.000 0.814 764 Q CB 0.189 28.869 28.738 -0.097 0.000 1.454 764 Q HN 0.832 nan 8.270 nan 0.000 0.460 765 G N 2.542 111.298 108.800 -0.074 0.000 3.069 765 G HA2 -0.174 3.787 3.960 0.002 0.000 0.686 765 G HA3 -0.174 3.787 3.960 0.002 0.000 0.686 765 G C -0.704 174.266 174.900 0.117 0.000 1.161 765 G CA -0.751 44.366 45.100 0.028 0.000 0.804 765 G HN 0.699 nan 8.290 nan 0.000 0.608 766 N N 0.355 119.203 118.700 0.247 0.000 2.892 766 N HA 0.452 5.193 4.740 0.002 0.000 0.300 766 N C 0.205 175.860 175.510 0.242 0.000 1.211 766 N CA 0.495 53.791 53.050 0.410 0.000 1.158 766 N CB 0.776 39.550 38.487 0.479 0.000 1.455 766 N HN 1.909 nan 8.380 nan 0.000 0.524 767 A N 0.957 123.892 122.820 0.192 0.000 2.411 767 A HA 0.410 4.731 4.320 0.002 0.000 0.303 767 A C -1.686 175.950 177.584 0.087 0.000 1.038 767 A CA -0.831 51.274 52.037 0.113 0.000 1.011 767 A CB 0.200 19.245 19.000 0.076 0.000 1.505 767 A HN 0.416 nan 8.150 nan 0.000 0.380 768 L N 1.205 122.482 121.223 0.090 0.000 2.376 768 L HA 1.014 5.355 4.340 0.002 0.000 0.258 768 L C -0.667 176.231 176.870 0.047 0.000 1.013 768 L CA 0.120 54.998 54.840 0.062 0.000 0.822 768 L CB 2.488 44.595 42.059 0.079 0.000 1.388 768 L HN 0.540 nan 8.230 nan 0.000 0.413 769 T N 4.565 119.138 114.554 0.032 0.000 2.991 769 T HA 0.646 4.997 4.350 0.002 0.000 0.303 769 T C -0.960 173.752 174.700 0.020 0.000 1.015 769 T CA -0.182 61.932 62.100 0.024 0.000 1.007 769 T CB 0.929 69.807 68.868 0.018 0.000 1.034 769 T HN 0.662 nan 8.240 nan 0.000 0.446 770 I N 0.707 121.290 120.570 0.021 0.000 2.447 770 I HA 0.672 4.843 4.170 0.002 0.000 0.287 770 I C -0.045 176.081 176.117 0.016 0.000 1.023 770 I CA -0.954 60.357 61.300 0.018 0.000 1.083 770 I CB 2.034 40.047 38.000 0.021 0.000 1.245 770 I HN 0.563 nan 8.210 nan 0.000 0.434 771 T N 4.779 119.341 114.554 0.013 0.000 2.743 771 T HA 0.603 4.954 4.350 0.002 0.000 0.293 771 T C 0.204 174.911 174.700 0.012 0.000 0.945 771 T CA -0.664 61.444 62.100 0.012 0.000 1.030 771 T CB 1.287 70.161 68.868 0.010 0.000 0.912 771 T HN 0.557 nan 8.240 nan 0.000 0.483 772 L N 0.000 121.231 121.223 0.014 0.000 2.949 772 L HA 0.000 4.341 4.340 0.002 0.000 0.249 772 L CA 0.000 54.848 54.840 0.014 0.000 0.813 772 L CB 0.000 42.068 42.059 0.016 0.000 0.961 772 L HN 0.000 nan 8.230 nan 0.000 0.502