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 3bz2_1_B DATA FIRST_RESID 2 DATA SEQUENCE GLPWYRVHTV LINDPGRLIA AHLMHTALVA GWAGSMALYE LATFDPSDPV DATA SEQUENCE LNPMWRQGMF VLPFMARLGV TGSWSGWSIT GETGIDPGFW SFEGVALAHI DATA SEQUENCE VLSGLLFLAA CWHWVYWDLE LFRDPRTGEP ALDLPKMFGI HLFLAGLLCF DATA SEQUENCE GFGAFHLTGL FGPGMWVSDP YGLTGSVQPV APEWGPDGFN PYNPGGVVAH DATA SEQUENCE HIAAGIVGII AGLFHILVRP PQRLYKALRM GNIETVLSSS IAAVFFAAFV DATA SEQUENCE VAGTMWYGSA TTPIELFGPT RYQWDSSYFQ QEINRRVQAS LASGATLEEA DATA SEQUENCE WSAIPEKLAF YDYIGNNPAK GGLFRTGPMN KGDGIAQAWK GHAVFRNKEG DATA SEQUENCE EELFVRRMPA FFESFPVILT DKNGVVKADI PFRRAESKYS FEQQGVTVSF DATA SEQUENCE YGGELNGQTF TDPPTVKSYA RKAIFGEIFE FDTETLNSDG IFRTSPRGWF DATA SEQUENCE TFAHAVFALL FFFGHIWHGA RTLFRDVFSG IDPELSPEQV 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 2 G C 0.000 174.878 174.900 -0.037 0.000 0.946 2 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 3 L N 2.732 123.927 121.223 -0.047 0.000 2.380 3 L HA 0.379 4.717 4.340 -0.005 0.000 0.273 3 L C -1.797 174.985 176.870 -0.148 0.000 1.138 3 L CA -1.259 53.523 54.840 -0.096 0.000 0.832 3 L CB 1.054 43.067 42.059 -0.077 0.000 1.124 3 L HN 0.254 nan 8.230 nan 0.000 0.454 4 P HA -0.032 nan 4.420 nan 0.000 0.272 4 P C 0.488 177.527 177.300 -0.435 0.000 1.230 4 P CA -0.488 62.355 63.100 -0.428 0.000 0.788 4 P CB 0.337 31.490 31.700 -0.913 0.000 0.949 5 W N 1.808 122.992 121.300 -0.194 0.000 2.321 5 W HA -0.237 4.419 4.660 -0.005 0.000 0.306 5 W C 1.043 177.490 176.519 -0.121 0.000 1.217 5 W CA 1.164 58.449 57.345 -0.101 0.000 1.257 5 W CB -1.864 27.597 29.460 0.003 0.000 1.145 5 W HN 0.429 nan 8.180 nan 0.000 0.509 6 Y N 0.766 120.473 120.300 -0.987 0.000 2.584 6 Y HA 0.342 4.890 4.550 -0.004 0.000 0.317 6 Y C 1.928 177.611 175.900 -0.362 0.000 1.208 6 Y CA 0.212 57.783 58.100 -0.881 0.000 1.299 6 Y CB -0.972 36.661 38.460 -1.378 0.000 1.047 6 Y HN -0.062 nan 8.280 nan 0.000 0.506 7 R N -0.250 119.968 120.500 -0.470 0.000 2.531 7 R HA 0.118 4.455 4.340 -0.005 0.000 0.316 7 R C 1.821 178.065 176.300 -0.093 0.000 0.955 7 R CA 0.723 56.687 56.100 -0.227 0.000 1.120 7 R CB 0.436 30.565 30.300 -0.285 0.000 1.361 7 R HN 0.372 nan 8.270 nan 0.000 0.534 8 V N -1.448 118.403 119.914 -0.105 0.000 2.527 8 V HA -0.305 3.812 4.120 -0.005 0.000 0.255 8 V C 1.382 177.557 176.094 0.136 0.000 1.081 8 V CA 1.839 64.134 62.300 -0.008 0.000 1.092 8 V CB -0.847 30.966 31.823 -0.016 0.000 0.673 8 V HN 0.410 nan 8.190 nan 0.000 0.470 9 H N 0.921 120.023 119.070 0.053 0.000 2.539 9 H HA 0.036 4.590 4.556 -0.004 0.000 0.267 9 H C 2.334 177.694 175.328 0.054 0.000 0.982 9 H CA 0.696 56.787 56.048 0.071 0.000 1.146 9 H CB 0.170 29.986 29.762 0.091 0.000 1.382 9 H HN 0.722 nan 8.280 nan 0.000 0.577 10 T N -2.018 112.626 114.554 0.150 0.000 3.072 10 T HA -0.086 4.262 4.350 -0.005 0.000 0.266 10 T C 1.910 176.637 174.700 0.045 0.000 1.127 10 T CA 0.326 62.476 62.100 0.084 0.000 1.107 10 T CB -0.529 68.376 68.868 0.061 0.000 0.910 10 T HN 0.128 nan 8.240 nan 0.000 0.513 11 V N 0.640 120.587 119.914 0.055 0.000 3.330 11 V HA 0.136 4.254 4.120 -0.005 0.000 0.273 11 V C 1.652 177.729 176.094 -0.029 0.000 1.179 11 V CA 1.141 63.447 62.300 0.009 0.000 1.174 11 V CB -0.735 31.108 31.823 0.034 0.000 0.794 11 V HN 0.625 nan 8.190 nan 0.000 0.527 12 L N -1.733 119.485 121.223 -0.009 0.000 2.781 12 L HA 0.229 4.566 4.340 -0.005 0.000 0.245 12 L C 1.952 178.787 176.870 -0.059 0.000 1.118 12 L CA 0.078 54.889 54.840 -0.049 0.000 0.918 12 L CB 0.031 42.074 42.059 -0.026 0.000 1.246 12 L HN 0.185 nan 8.230 nan 0.000 0.526 13 I N 2.131 122.681 120.570 -0.032 0.000 2.358 13 I HA -0.313 3.855 4.170 -0.005 0.000 0.257 13 I C 0.213 176.298 176.117 -0.053 0.000 1.123 13 I CA 1.599 62.876 61.300 -0.038 0.000 1.393 13 I CB -0.489 37.495 38.000 -0.026 0.000 1.073 13 I HN 0.612 nan 8.210 nan 0.000 0.437 14 N N -0.680 117.986 118.700 -0.058 0.000 2.666 14 N HA 0.149 4.887 4.740 -0.005 0.000 0.253 14 N C -0.938 174.538 175.510 -0.056 0.000 1.621 14 N CA -0.357 52.664 53.050 -0.050 0.000 0.785 14 N CB 0.140 38.614 38.487 -0.022 0.000 1.332 14 N HN -0.003 nan 8.380 nan 0.000 0.514 15 D N 0.557 120.896 120.400 -0.101 0.000 2.968 15 D HA 0.287 4.924 4.640 -0.005 0.000 0.301 15 D C -1.876 174.301 176.300 -0.205 0.000 1.226 15 D CA -1.545 52.387 54.000 -0.114 0.000 0.746 15 D CB 1.127 41.814 40.800 -0.189 0.000 1.278 15 D HN 0.028 nan 8.370 nan 0.000 0.544 16 P HA -0.181 nan 4.420 nan 0.000 0.221 16 P C 1.361 178.211 177.300 -0.750 0.000 1.153 16 P CA 1.731 64.497 63.100 -0.556 0.000 0.858 16 P CB 0.319 31.596 31.700 -0.705 0.000 0.783 17 G N 0.091 108.503 108.800 -0.646 0.000 2.484 17 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.215 17 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.215 17 G C 1.454 176.299 174.900 -0.093 0.000 1.219 17 G CA 0.493 45.425 45.100 -0.279 0.000 0.791 17 G HN 0.203 nan 8.290 nan 0.000 0.550 18 R N -0.003 120.429 120.500 -0.113 0.000 2.280 18 R HA 0.104 4.441 4.340 -0.005 0.000 0.207 18 R C 2.284 178.588 176.300 0.007 0.000 1.043 18 R CA 0.270 56.330 56.100 -0.067 0.000 1.006 18 R CB -0.581 29.479 30.300 -0.400 0.000 0.885 18 R HN 0.410 nan 8.270 nan 0.000 0.467 19 L N 0.653 121.789 121.223 -0.144 0.000 2.131 19 L HA 0.035 4.373 4.340 -0.005 0.000 0.206 19 L C 2.046 178.732 176.870 -0.308 0.000 1.087 19 L CA 1.292 55.989 54.840 -0.237 0.000 0.767 19 L CB -0.066 41.794 42.059 -0.331 0.000 0.917 19 L HN -0.023 nan 8.230 nan 0.000 0.441 20 I N -0.689 119.739 120.570 -0.237 0.000 2.353 20 I HA -0.197 3.970 4.170 -0.005 0.000 0.248 20 I C 2.541 178.669 176.117 0.019 0.000 1.119 20 I CA 0.943 62.141 61.300 -0.170 0.000 1.417 20 I CB -0.445 37.395 38.000 -0.266 0.000 1.078 20 I HN 0.311 nan 8.210 nan 0.000 0.421 21 A N 0.829 123.726 122.820 0.129 0.000 1.908 21 A HA -0.203 4.114 4.320 -0.005 0.000 0.218 21 A C 2.500 180.225 177.584 0.237 0.000 1.181 21 A CA 1.983 54.196 52.037 0.295 0.000 0.627 21 A CB -0.816 18.497 19.000 0.522 0.000 0.818 21 A HN 0.427 nan 8.150 nan 0.000 0.445 22 A N -0.696 122.252 122.820 0.213 0.000 1.828 22 A HA -0.189 4.128 4.320 -0.005 0.000 0.215 22 A C 1.915 179.646 177.584 0.245 0.000 1.203 22 A CA 1.510 53.658 52.037 0.185 0.000 0.614 22 A CB -1.291 17.803 19.000 0.157 0.000 0.844 22 A HN 0.719 nan 8.150 nan 0.000 0.445 23 H N -0.766 118.331 119.070 0.046 0.000 2.466 23 H HA -0.122 4.431 4.556 -0.005 0.000 0.297 23 H C 2.003 177.393 175.328 0.103 0.000 1.113 23 H CA 1.113 57.187 56.048 0.044 0.000 1.273 23 H CB -0.167 29.596 29.762 0.001 0.000 1.371 23 H HN 0.344 nan 8.280 nan 0.000 0.528 24 L N -0.233 121.132 121.223 0.236 0.000 2.044 24 L HA -0.185 4.152 4.340 -0.005 0.000 0.205 24 L C 2.627 179.618 176.870 0.201 0.000 1.075 24 L CA 0.654 55.614 54.840 0.200 0.000 0.747 24 L CB -0.110 42.069 42.059 0.199 0.000 0.903 24 L HN 0.272 nan 8.230 nan 0.000 0.435 25 M N -0.893 118.822 119.600 0.192 0.000 2.117 25 M HA -0.262 4.215 4.480 -0.005 0.000 0.262 25 M C 2.315 178.725 176.300 0.184 0.000 1.065 25 M CA 1.781 57.192 55.300 0.185 0.000 1.114 25 M CB -0.787 31.892 32.600 0.132 0.000 1.361 25 M HN 0.229 nan 8.290 nan 0.000 0.408 26 H N -0.901 118.219 119.070 0.084 0.000 2.267 26 H HA -0.142 4.411 4.556 -0.005 0.000 0.297 26 H C 1.540 176.903 175.328 0.059 0.000 1.080 26 H CA 2.396 58.472 56.048 0.047 0.000 1.278 26 H CB -0.445 29.311 29.762 -0.009 0.000 1.365 26 H HN 0.356 nan 8.280 nan 0.000 0.489 27 T N 1.209 115.909 114.554 0.244 0.000 2.685 27 T HA -0.202 4.146 4.350 -0.005 0.000 0.268 27 T C 2.192 176.958 174.700 0.111 0.000 1.034 27 T CA 1.651 63.852 62.100 0.168 0.000 1.149 27 T CB -0.692 68.273 68.868 0.161 0.000 0.860 27 T HN 0.547 nan 8.240 nan 0.000 0.449 28 A N 1.120 124.022 122.820 0.135 0.000 1.883 28 A HA -0.045 4.272 4.320 -0.005 0.000 0.217 28 A C 2.321 179.968 177.584 0.105 0.000 1.186 28 A CA 1.413 53.538 52.037 0.147 0.000 0.624 28 A CB -0.860 18.271 19.000 0.217 0.000 0.822 28 A HN 0.501 nan 8.150 nan 0.000 0.444 29 L N -0.596 120.659 121.223 0.053 0.000 2.056 29 L HA -0.139 4.198 4.340 -0.005 0.000 0.207 29 L C 2.477 179.371 176.870 0.039 0.000 1.078 29 L CA 0.993 55.846 54.840 0.023 0.000 0.749 29 L CB -0.518 41.515 42.059 -0.045 0.000 0.901 29 L HN 0.247 nan 8.230 nan 0.000 0.433 30 V N -0.068 119.815 119.914 -0.052 0.000 2.427 30 V HA -0.219 3.899 4.120 -0.005 0.000 0.248 30 V C 2.666 178.890 176.094 0.217 0.000 1.051 30 V CA 1.675 63.987 62.300 0.019 0.000 1.048 30 V CB -0.789 30.989 31.823 -0.075 0.000 0.666 30 V HN 0.457 nan 8.190 nan 0.000 0.456 31 A N 0.548 123.479 122.820 0.184 0.000 1.929 31 A HA 0.041 4.359 4.320 -0.005 0.000 0.216 31 A C 2.403 180.138 177.584 0.252 0.000 1.176 31 A CA 1.587 53.773 52.037 0.249 0.000 0.628 31 A CB -1.069 18.033 19.000 0.169 0.000 0.816 31 A HN 0.487 nan 8.150 nan 0.000 0.444 32 G N -1.139 107.774 108.800 0.188 0.000 2.421 32 G HA2 -0.296 3.662 3.960 -0.005 0.000 0.216 32 G HA3 -0.296 3.662 3.960 -0.005 0.000 0.216 32 G C 1.401 176.389 174.900 0.146 0.000 1.171 32 G CA 1.119 46.304 45.100 0.143 0.000 0.775 32 G HN 0.707 nan 8.290 nan 0.000 0.543 33 W N 1.963 123.274 121.300 0.018 0.000 2.317 33 W HA -0.094 4.564 4.660 -0.004 0.000 0.318 33 W C 2.746 179.279 176.519 0.023 0.000 1.227 33 W CA 2.777 60.127 57.345 0.009 0.000 1.269 33 W CB -0.394 29.061 29.460 -0.009 0.000 1.155 33 W HN 0.284 nan 8.180 nan 0.000 0.484 34 A N 1.032 123.933 122.820 0.136 0.000 1.873 34 A HA -0.156 4.161 4.320 -0.005 0.000 0.218 34 A C 2.268 179.634 177.584 -0.363 0.000 1.193 34 A CA 2.646 54.550 52.037 -0.222 0.000 0.629 34 A CB -1.835 17.230 19.000 0.108 0.000 0.826 34 A HN 0.524 nan 8.150 nan 0.000 0.447 35 G N -0.247 108.468 108.800 -0.142 0.000 2.459 35 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.217 35 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.217 35 G C 1.956 176.765 174.900 -0.151 0.000 1.183 35 G CA 2.049 47.089 45.100 -0.100 0.000 0.776 35 G HN 0.928 nan 8.290 nan 0.000 0.552 36 S N -0.148 115.453 115.700 -0.165 0.000 2.453 36 S HA 0.015 4.482 4.470 -0.005 0.000 0.231 36 S C 2.198 176.655 174.600 -0.238 0.000 1.005 36 S CA 1.446 59.553 58.200 -0.154 0.000 0.949 36 S CB -0.187 62.953 63.200 -0.101 0.000 0.774 36 S HN 0.233 nan 8.310 nan 0.000 0.510 37 M N 2.753 122.043 119.600 -0.516 0.000 2.229 37 M HA 0.231 4.708 4.480 -0.005 0.000 0.264 37 M C 2.024 178.192 176.300 -0.219 0.000 1.063 37 M CA 1.034 56.028 55.300 -0.510 0.000 1.114 37 M CB -0.977 30.961 32.600 -1.103 0.000 1.387 37 M HN 0.371 nan 8.290 nan 0.000 0.420 38 A N 0.450 123.122 122.820 -0.246 0.000 1.835 38 A HA -0.132 4.185 4.320 -0.005 0.000 0.215 38 A C 2.114 179.657 177.584 -0.067 0.000 1.199 38 A CA 2.003 53.955 52.037 -0.142 0.000 0.615 38 A CB -1.268 17.641 19.000 -0.152 0.000 0.838 38 A HN 0.568 nan 8.150 nan 0.000 0.444 39 L N -1.931 119.262 121.223 -0.050 0.000 2.089 39 L HA -0.267 4.070 4.340 -0.005 0.000 0.213 39 L C 2.622 179.507 176.870 0.026 0.000 1.079 39 L CA 2.054 56.891 54.840 -0.006 0.000 0.758 39 L CB -0.793 41.270 42.059 0.008 0.000 0.891 39 L HN 0.610 nan 8.230 nan 0.000 0.433 40 Y N 1.050 121.304 120.300 -0.076 0.000 2.181 40 Y HA -0.235 4.312 4.550 -0.004 0.000 0.288 40 Y C 2.516 178.398 175.900 -0.031 0.000 1.146 40 Y CA 1.685 59.753 58.100 -0.052 0.000 1.164 40 Y CB -0.117 38.302 38.460 -0.068 0.000 0.982 40 Y HN 0.209 nan 8.280 nan 0.000 0.515 41 E N -0.091 120.076 120.200 -0.056 0.000 2.072 41 E HA -0.166 4.182 4.350 -0.005 0.000 0.190 41 E C 2.194 178.736 176.600 -0.096 0.000 0.982 41 E CA 1.297 57.628 56.400 -0.113 0.000 0.803 41 E CB -0.284 29.376 29.700 -0.066 0.000 0.755 41 E HN 0.483 nan 8.360 nan 0.000 0.453 42 L N 0.516 121.703 121.223 -0.060 0.000 2.275 42 L HA -0.086 4.251 4.340 -0.005 0.000 0.215 42 L C 2.326 179.205 176.870 0.016 0.000 1.119 42 L CA 0.635 55.491 54.840 0.027 0.000 0.790 42 L CB -0.271 41.817 42.059 0.049 0.000 0.919 42 L HN 0.108 nan 8.230 nan 0.000 0.443 43 A N -0.758 122.020 122.820 -0.069 0.000 2.208 43 A HA -0.032 4.285 4.320 -0.005 0.000 0.209 43 A C 1.954 179.446 177.584 -0.153 0.000 1.161 43 A CA 1.335 53.321 52.037 -0.085 0.000 0.782 43 A CB -0.386 18.564 19.000 -0.085 0.000 0.816 43 A HN 0.471 nan 8.150 nan 0.000 0.477 44 T N -5.105 109.328 114.554 -0.202 0.000 3.009 44 T HA 0.281 4.628 4.350 -0.005 0.000 0.267 44 T C 0.114 174.720 174.700 -0.157 0.000 0.942 44 T CA -0.348 61.620 62.100 -0.220 0.000 0.883 44 T CB -0.476 68.178 68.868 -0.358 0.000 1.192 44 T HN 0.155 nan 8.240 nan 0.000 0.524 45 F N 3.585 123.380 119.950 -0.259 0.000 2.456 45 F HA 0.547 5.072 4.527 -0.005 0.000 0.358 45 F C -0.264 175.319 175.800 -0.362 0.000 1.095 45 F CA -1.246 56.582 58.000 -0.287 0.000 1.216 45 F CB 0.783 39.603 39.000 -0.300 0.000 1.125 45 F HN 0.026 nan 8.300 nan 0.000 0.549 46 D N 8.116 127.743 120.400 -1.289 0.000 2.392 46 D HA 0.336 4.973 4.640 -0.005 0.000 0.228 46 D C -2.069 173.289 176.300 -1.570 0.000 1.074 46 D CA -2.492 50.823 54.000 -1.142 0.000 0.838 46 D CB 1.573 41.990 40.800 -0.639 0.000 1.067 46 D HN 0.302 nan 8.370 nan 0.000 0.511 47 P HA -0.030 nan 4.420 nan 0.000 0.255 47 P C 1.008 178.035 177.300 -0.456 0.000 1.248 47 P CA 0.173 62.715 63.100 -0.930 0.000 0.807 47 P CB 0.148 31.161 31.700 -1.144 0.000 1.150 48 S N -0.442 114.998 115.700 -0.433 0.000 2.440 48 S HA -0.170 4.297 4.470 -0.005 0.000 0.240 48 S C 0.559 175.054 174.600 -0.175 0.000 1.014 48 S CA 1.213 59.265 58.200 -0.247 0.000 0.980 48 S CB -0.918 62.144 63.200 -0.230 0.000 0.775 48 S HN 0.196 nan 8.310 nan 0.000 0.499 49 D N 0.280 120.560 120.400 -0.199 0.000 2.354 49 D HA 0.304 4.941 4.640 -0.005 0.000 0.230 49 D C -2.399 173.837 176.300 -0.105 0.000 1.361 49 D CA -1.444 52.479 54.000 -0.128 0.000 0.992 49 D CB 1.748 42.462 40.800 -0.143 0.000 1.409 49 D HN -0.062 nan 8.370 nan 0.000 0.573 50 P HA -0.025 nan 4.420 nan 0.000 0.236 50 P C 1.001 178.330 177.300 0.047 0.000 1.177 50 P CA 0.171 63.301 63.100 0.050 0.000 0.773 50 P CB 0.727 32.505 31.700 0.131 0.000 0.878 51 V N 0.340 120.255 119.914 0.001 0.000 2.283 51 V HA -0.070 4.047 4.120 -0.005 0.000 0.239 51 V C 2.557 178.583 176.094 -0.113 0.000 1.035 51 V CA 1.347 63.645 62.300 -0.004 0.000 1.018 51 V CB -0.973 30.843 31.823 -0.012 0.000 0.658 51 V HN -0.010 nan 8.190 nan 0.000 0.459 52 L N -0.243 120.828 121.223 -0.253 0.000 2.616 52 L HA 0.294 4.631 4.340 -0.005 0.000 0.229 52 L C 0.625 177.262 176.870 -0.388 0.000 1.110 52 L CA 0.420 54.931 54.840 -0.549 0.000 0.884 52 L CB 0.101 41.755 42.059 -0.676 0.000 1.115 52 L HN 0.382 nan 8.230 nan 0.000 0.481 53 N N 0.821 119.362 118.700 -0.264 0.000 2.733 53 N HA 0.202 4.939 4.740 -0.005 0.000 0.271 53 N C -2.731 172.626 175.510 -0.256 0.000 1.720 53 N CA -1.428 51.466 53.050 -0.259 0.000 0.803 53 N CB 1.269 39.615 38.487 -0.236 0.000 1.208 53 N HN -0.095 nan 8.380 nan 0.000 0.498 54 P HA 0.145 nan 4.420 nan 0.000 0.282 54 P C 1.403 178.567 177.300 -0.226 0.000 1.259 54 P CA -0.515 62.455 63.100 -0.217 0.000 0.826 54 P CB 1.048 32.618 31.700 -0.217 0.000 1.064 55 M N 0.700 120.349 119.600 0.082 0.000 2.146 55 M HA -0.185 4.293 4.480 -0.005 0.000 0.251 55 M C 1.540 177.854 176.300 0.024 0.000 1.083 55 M CA 2.314 57.674 55.300 0.100 0.000 1.076 55 M CB -1.575 30.945 32.600 -0.132 0.000 1.332 55 M HN 0.399 nan 8.290 nan 0.000 0.400 56 W N 0.253 121.563 121.300 0.017 0.000 2.961 56 W HA 0.126 4.783 4.660 -0.005 0.000 0.240 56 W C 1.080 177.650 176.519 0.085 0.000 1.305 56 W CA 0.028 57.400 57.345 0.046 0.000 1.465 56 W CB -0.954 28.519 29.460 0.021 0.000 1.135 56 W HN 0.281 nan 8.180 nan 0.000 0.688 57 R N 0.792 121.081 120.500 -0.350 0.000 2.265 57 R HA 0.064 4.402 4.340 -0.005 0.000 0.194 57 R C 1.244 177.506 176.300 -0.063 0.000 0.931 57 R CA 0.468 56.412 56.100 -0.261 0.000 1.032 57 R CB -0.129 29.920 30.300 -0.418 0.000 0.980 57 R HN 0.428 nan 8.270 nan 0.000 0.497 58 Q N -0.012 119.772 119.800 -0.026 0.000 2.217 58 Q HA 0.196 4.533 4.340 -0.005 0.000 0.226 58 Q C 0.229 176.285 176.000 0.093 0.000 0.875 58 Q CA 0.128 55.946 55.803 0.025 0.000 0.974 58 Q CB 0.795 29.552 28.738 0.031 0.000 1.079 58 Q HN 0.308 nan 8.270 nan 0.000 0.463 59 G N 1.718 110.604 108.800 0.144 0.000 2.341 59 G HA2 -0.264 3.694 3.960 -0.005 0.000 0.292 59 G HA3 -0.264 3.694 3.960 -0.005 0.000 0.292 59 G C 0.073 175.103 174.900 0.218 0.000 1.021 59 G CA 0.139 45.356 45.100 0.195 0.000 0.905 59 G HN 0.210 nan 8.290 nan 0.000 0.508 60 M N -0.982 118.744 119.600 0.209 0.000 2.180 60 M HA 0.510 4.987 4.480 -0.005 0.000 0.358 60 M C 0.895 177.389 176.300 0.323 0.000 1.233 60 M CA -0.727 54.681 55.300 0.180 0.000 1.114 60 M CB 0.941 33.552 32.600 0.019 0.000 1.594 60 M HN 0.189 nan 8.290 nan 0.000 0.467 61 F N 2.720 122.792 119.950 0.202 0.000 2.577 61 F HA 0.165 4.690 4.527 -0.004 0.000 0.276 61 F C 1.305 177.383 175.800 0.464 0.000 1.032 61 F CA 0.636 58.857 58.000 0.368 0.000 1.297 61 F CB 0.408 39.642 39.000 0.389 0.000 1.061 61 F HN 0.317 nan 8.300 nan 0.000 0.680 62 V N 0.342 120.404 119.914 0.247 0.000 2.685 62 V HA -0.099 4.018 4.120 -0.005 0.000 0.244 62 V C 2.164 178.306 176.094 0.080 0.000 1.054 62 V CA 1.152 63.541 62.300 0.149 0.000 1.076 62 V CB -0.231 31.628 31.823 0.060 0.000 0.725 62 V HN 0.311 nan 8.190 nan 0.000 0.467 63 L N 1.666 122.860 121.223 -0.048 0.000 2.081 63 L HA -0.115 4.222 4.340 -0.005 0.000 0.212 63 L C 0.173 176.931 176.870 -0.187 0.000 1.080 63 L CA 2.507 57.230 54.840 -0.195 0.000 0.754 63 L CB -1.259 40.526 42.059 -0.457 0.000 0.893 63 L HN 0.295 nan 8.230 nan 0.000 0.433 64 P HA -0.175 nan 4.420 nan 0.000 0.216 64 P C 1.694 178.694 177.300 -0.500 0.000 1.153 64 P CA 1.506 64.238 63.100 -0.613 0.000 0.844 64 P CB -0.245 30.753 31.700 -1.169 0.000 0.787 65 F N -0.566 119.297 119.950 -0.145 0.000 2.408 65 F HA -0.021 4.503 4.527 -0.005 0.000 0.300 65 F C 2.633 178.425 175.800 -0.013 0.000 1.090 65 F CA 1.166 59.154 58.000 -0.021 0.000 1.427 65 F CB -0.947 38.051 39.000 -0.003 0.000 1.070 65 F HN -0.174 nan 8.300 nan 0.000 0.549 66 M N -1.345 118.329 119.600 0.123 0.000 2.476 66 M HA 0.051 4.529 4.480 -0.005 0.000 0.262 66 M C 2.233 178.579 176.300 0.076 0.000 1.111 66 M CA 0.853 56.221 55.300 0.113 0.000 1.127 66 M CB -0.165 32.553 32.600 0.197 0.000 1.376 66 M HN 0.154 nan 8.290 nan 0.000 0.465 67 A N 0.035 122.888 122.820 0.055 0.000 1.984 67 A HA -0.023 4.294 4.320 -0.005 0.000 0.214 67 A C 2.045 179.721 177.584 0.153 0.000 1.173 67 A CA 0.664 52.746 52.037 0.075 0.000 0.673 67 A CB -0.422 18.534 19.000 -0.075 0.000 0.830 67 A HN 0.378 nan 8.150 nan 0.000 0.453 68 R N -0.334 120.194 120.500 0.046 0.000 2.211 68 R HA -0.034 4.303 4.340 -0.005 0.000 0.240 68 R C 0.665 177.097 176.300 0.221 0.000 1.144 68 R CA 1.278 57.470 56.100 0.153 0.000 0.992 68 R CB -0.209 30.135 30.300 0.074 0.000 0.869 68 R HN 0.510 nan 8.270 nan 0.000 0.462 69 L N -1.775 119.560 121.223 0.187 0.000 2.959 69 L HA 0.343 4.680 4.340 -0.005 0.000 0.259 69 L C 1.014 178.034 176.870 0.251 0.000 1.185 69 L CA 0.311 55.295 54.840 0.240 0.000 0.998 69 L CB 1.316 43.474 42.059 0.165 0.000 1.337 69 L HN 0.498 nan 8.230 nan 0.000 0.555 70 G N -0.279 108.614 108.800 0.155 0.000 3.180 70 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.197 70 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.197 70 G C 0.179 175.067 174.900 -0.020 0.000 1.149 70 G CA -0.361 44.778 45.100 0.066 0.000 0.847 70 G HN -0.087 nan 8.290 nan 0.000 0.469 71 V N 3.551 123.403 119.914 -0.104 0.000 2.420 71 V HA 0.402 4.519 4.120 -0.005 0.000 0.274 71 V C 1.384 177.179 176.094 -0.498 0.000 1.003 71 V CA 1.830 63.923 62.300 -0.345 0.000 1.092 71 V CB 0.510 32.070 31.823 -0.439 0.000 1.002 71 V HN 0.951 nan 8.190 nan 0.000 0.473 72 T N 0.742 115.060 114.554 -0.394 0.000 3.275 72 T HA 0.453 4.800 4.350 -0.005 0.000 0.298 72 T C 0.380 175.024 174.700 -0.094 0.000 0.988 72 T CA 0.245 62.274 62.100 -0.119 0.000 0.936 72 T CB 0.500 69.469 68.868 0.167 0.000 1.159 72 T HN 0.757 nan 8.240 nan 0.000 0.519 73 G N 0.274 108.816 108.800 -0.430 0.000 2.658 73 G HA2 0.622 4.580 3.960 -0.005 0.000 0.292 73 G HA3 0.622 4.580 3.960 -0.005 0.000 0.292 73 G C -1.572 173.037 174.900 -0.485 0.000 1.320 73 G CA -0.766 44.144 45.100 -0.317 0.000 0.933 73 G HN 0.273 nan 8.290 nan 0.000 0.476 74 S N -1.072 114.243 115.700 -0.643 0.000 2.536 74 S HA 0.434 4.901 4.470 -0.005 0.000 0.298 74 S C 0.189 174.629 174.600 -0.266 0.000 1.083 74 S CA -0.668 57.143 58.200 -0.648 0.000 0.995 74 S CB 0.831 63.173 63.200 -1.431 0.000 1.058 74 S HN 0.520 nan 8.310 nan 0.000 0.488 75 W N 2.420 123.586 121.300 -0.223 0.000 2.468 75 W HA -0.017 4.640 4.660 -0.004 0.000 0.262 75 W C 2.333 178.796 176.519 -0.094 0.000 1.241 75 W CA 1.043 58.303 57.345 -0.142 0.000 1.232 75 W CB -1.331 28.067 29.460 -0.104 0.000 1.124 75 W HN 0.883 nan 8.180 nan 0.000 0.597 76 S N -1.018 114.752 115.700 0.118 0.000 2.603 76 S HA 0.311 4.778 4.470 -0.005 0.000 0.220 76 S C 1.745 176.421 174.600 0.127 0.000 0.967 76 S CA 0.873 59.163 58.200 0.151 0.000 0.920 76 S CB 0.012 63.375 63.200 0.272 0.000 0.773 76 S HN 0.348 nan 8.310 nan 0.000 0.529 77 G N 1.070 109.881 108.800 0.019 0.000 2.339 77 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.209 77 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.209 77 G C 0.136 175.090 174.900 0.090 0.000 1.015 77 G CA -0.232 44.906 45.100 0.063 0.000 0.635 77 G HN 0.687 nan 8.290 nan 0.000 0.499 78 W N 1.927 123.300 121.300 0.123 0.000 2.030 78 W HA 0.718 5.375 4.660 -0.005 0.000 0.360 78 W C 0.336 176.957 176.519 0.172 0.000 1.370 78 W CA 0.434 57.857 57.345 0.130 0.000 1.433 78 W CB 0.061 29.595 29.460 0.123 0.000 1.204 78 W HN 1.014 nan 8.180 nan 0.000 0.649 79 S N -0.356 115.670 115.700 0.545 0.000 2.537 79 S HA 0.286 4.754 4.470 -0.005 0.000 0.270 79 S C 0.429 175.367 174.600 0.563 0.000 1.142 79 S CA -0.795 57.644 58.200 0.399 0.000 0.870 79 S CB 1.495 64.820 63.200 0.208 0.000 1.112 79 S HN 0.395 nan 8.310 nan 0.000 0.466 80 I N 2.375 123.271 120.570 0.543 0.000 2.236 80 I HA -0.179 3.988 4.170 -0.005 0.000 0.249 80 I C 2.867 179.223 176.117 0.398 0.000 1.102 80 I CA 2.516 64.103 61.300 0.477 0.000 1.365 80 I CB -1.940 36.306 38.000 0.410 0.000 1.051 80 I HN 1.032 nan 8.210 nan 0.000 0.420 81 T N -2.068 112.712 114.554 0.376 0.000 3.023 81 T HA 0.163 4.510 4.350 -0.005 0.000 0.266 81 T C 1.550 176.399 174.700 0.249 0.000 1.093 81 T CA 0.922 63.217 62.100 0.325 0.000 1.129 81 T CB 0.013 69.030 68.868 0.248 0.000 0.899 81 T HN 0.531 nan 8.240 nan 0.000 0.491 82 G N 0.787 109.739 108.800 0.253 0.000 2.148 82 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.203 82 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.203 82 G C -0.298 174.704 174.900 0.170 0.000 0.993 82 G CA -0.118 45.105 45.100 0.204 0.000 0.661 82 G HN 0.642 nan 8.290 nan 0.000 0.518 83 E N 0.429 120.732 120.200 0.171 0.000 2.312 83 E HA 0.643 4.991 4.350 -0.005 0.000 0.259 83 E C 0.578 177.260 176.600 0.137 0.000 1.122 83 E CA 0.170 56.649 56.400 0.131 0.000 0.922 83 E CB 0.955 30.719 29.700 0.107 0.000 1.109 83 E HN 0.366 nan 8.360 nan 0.000 0.442 84 T N -2.902 111.716 114.554 0.106 0.000 2.888 84 T HA 0.529 4.876 4.350 -0.005 0.000 0.288 84 T C 0.952 175.698 174.700 0.075 0.000 1.063 84 T CA -0.408 61.752 62.100 0.101 0.000 1.010 84 T CB 1.464 70.387 68.868 0.092 0.000 1.214 84 T HN 0.694 nan 8.240 nan 0.000 0.533 85 G N 0.601 109.441 108.800 0.068 0.000 2.228 85 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.270 85 G HA3 -0.281 3.676 3.960 -0.005 0.000 0.270 85 G C 0.203 175.130 174.900 0.045 0.000 0.976 85 G CA 0.573 45.704 45.100 0.051 0.000 0.636 85 G HN 1.340 nan 8.290 nan 0.000 0.542 86 I N -1.187 119.413 120.570 0.050 0.000 2.754 86 I HA 0.586 4.753 4.170 -0.005 0.000 0.285 86 I C 0.032 176.168 176.117 0.032 0.000 1.166 86 I CA -1.343 59.980 61.300 0.040 0.000 1.417 86 I CB 0.981 39.007 38.000 0.043 0.000 1.382 86 I HN 0.011 nan 8.210 nan 0.000 0.588 87 D N 6.719 127.136 120.400 0.030 0.000 2.464 87 D HA 0.300 4.937 4.640 -0.005 0.000 0.243 87 D C -1.524 174.800 176.300 0.039 0.000 1.104 87 D CA -1.533 52.488 54.000 0.035 0.000 0.883 87 D CB 1.389 42.208 40.800 0.032 0.000 1.050 87 D HN 0.549 nan 8.370 nan 0.000 0.524 88 P HA 0.056 nan 4.420 nan 0.000 0.225 88 P C 0.914 178.264 177.300 0.084 0.000 1.148 88 P CA 0.800 63.913 63.100 0.021 0.000 0.779 88 P CB 0.419 32.086 31.700 -0.055 0.000 0.780 89 G N 0.637 109.509 108.800 0.118 0.000 2.498 89 G HA2 -0.354 3.603 3.960 -0.005 0.000 0.245 89 G HA3 -0.354 3.603 3.960 -0.005 0.000 0.245 89 G C 0.262 175.313 174.900 0.252 0.000 1.204 89 G CA 0.026 45.212 45.100 0.142 0.000 0.933 89 G HN 0.262 nan 8.290 nan 0.000 0.574 90 F N 0.562 120.551 119.950 0.065 0.000 2.270 90 F HA 0.367 4.891 4.527 -0.005 0.000 0.295 90 F C 1.699 177.519 175.800 0.032 0.000 1.087 90 F CA 0.853 58.905 58.000 0.086 0.000 1.365 90 F CB 0.042 38.856 39.000 -0.310 0.000 1.056 90 F HN 0.346 nan 8.300 nan 0.000 0.506 91 W N 2.968 124.312 121.300 0.074 0.000 1.371 91 W HA 0.226 4.883 4.660 -0.005 0.000 0.482 91 W C 0.532 176.845 176.519 -0.344 0.000 0.640 91 W CA -0.493 56.768 57.345 -0.140 0.000 2.164 91 W CB -0.526 28.940 29.460 0.010 0.000 1.613 91 W HN -0.029 nan 8.180 nan 0.000 0.212 92 S N -0.966 114.485 115.700 -0.416 0.000 2.722 92 S HA 0.394 4.862 4.470 -0.005 0.000 0.292 92 S C 0.758 174.979 174.600 -0.632 0.000 1.135 92 S CA -0.790 57.038 58.200 -0.620 0.000 1.003 92 S CB 0.843 63.536 63.200 -0.845 0.000 1.067 92 S HN 0.203 nan 8.310 nan 0.000 0.546 93 F N 1.083 120.779 119.950 -0.424 0.000 2.115 93 F HA -0.121 4.404 4.527 -0.004 0.000 0.300 93 F C 2.466 178.006 175.800 -0.434 0.000 1.092 93 F CA 2.040 59.842 58.000 -0.330 0.000 1.245 93 F CB -1.078 37.767 39.000 -0.257 0.000 0.995 93 F HN 0.591 nan 8.300 nan 0.000 0.481 94 E N 0.142 120.038 120.200 -0.507 0.000 2.038 94 E HA -0.142 4.205 4.350 -0.005 0.000 0.195 94 E C 2.618 178.714 176.600 -0.840 0.000 1.000 94 E CA 1.333 57.300 56.400 -0.722 0.000 0.803 94 E CB -1.115 27.882 29.700 -1.172 0.000 0.750 94 E HN 0.375 nan 8.360 nan 0.000 0.448 95 G N 0.583 108.629 108.800 -1.257 0.000 2.514 95 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.217 95 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.217 95 G C 1.771 176.572 174.900 -0.164 0.000 1.198 95 G CA 1.370 45.894 45.100 -0.959 0.000 0.780 95 G HN 0.202 nan 8.290 nan 0.000 0.565 96 V N 1.808 121.730 119.914 0.014 0.000 2.252 96 V HA -0.223 3.894 4.120 -0.005 0.000 0.249 96 V C 3.387 179.596 176.094 0.193 0.000 1.056 96 V CA 2.378 64.818 62.300 0.234 0.000 1.022 96 V CB -1.202 30.667 31.823 0.077 0.000 0.641 96 V HN 0.526 nan 8.190 nan 0.000 0.445 97 A N -0.210 122.608 122.820 -0.004 0.000 1.917 97 A HA -0.250 4.067 4.320 -0.005 0.000 0.219 97 A C 2.190 179.822 177.584 0.080 0.000 1.182 97 A CA 2.387 54.411 52.037 -0.022 0.000 0.633 97 A CB -0.680 18.278 19.000 -0.071 0.000 0.819 97 A HN 0.485 nan 8.150 nan 0.000 0.448 98 L N -0.183 121.079 121.223 0.065 0.000 1.970 98 L HA -0.115 4.222 4.340 -0.005 0.000 0.212 98 L C 2.701 179.718 176.870 0.245 0.000 1.071 98 L CA 2.530 57.460 54.840 0.150 0.000 0.751 98 L CB -1.109 41.058 42.059 0.180 0.000 0.889 98 L HN 0.383 nan 8.230 nan 0.000 0.432 99 A N -0.946 122.083 122.820 0.349 0.000 1.869 99 A HA -0.356 3.961 4.320 -0.005 0.000 0.218 99 A C 2.158 179.906 177.584 0.273 0.000 1.203 99 A CA 2.381 54.647 52.037 0.382 0.000 0.638 99 A CB -1.413 17.928 19.000 0.569 0.000 0.831 99 A HN 0.732 nan 8.150 nan 0.000 0.450 100 H N -0.362 118.803 119.070 0.159 0.000 2.353 100 H HA -0.123 4.431 4.556 -0.005 0.000 0.298 100 H C 1.957 177.346 175.328 0.102 0.000 1.103 100 H CA 1.694 57.811 56.048 0.116 0.000 1.293 100 H CB -0.315 29.498 29.762 0.085 0.000 1.372 100 H HN 0.387 nan 8.280 nan 0.000 0.501 101 I N 0.133 120.834 120.570 0.219 0.000 2.264 101 I HA -0.224 3.943 4.170 -0.005 0.000 0.248 101 I C 2.228 178.420 176.117 0.124 0.000 1.111 101 I CA 0.997 62.380 61.300 0.139 0.000 1.382 101 I CB -0.972 37.092 38.000 0.105 0.000 1.060 101 I HN 0.140 nan 8.210 nan 0.000 0.418 102 V N 0.578 120.575 119.914 0.139 0.000 2.283 102 V HA -0.205 3.912 4.120 -0.005 0.000 0.243 102 V C 2.502 178.666 176.094 0.116 0.000 1.039 102 V CA 1.110 63.483 62.300 0.122 0.000 1.016 102 V CB -0.849 31.051 31.823 0.129 0.000 0.650 102 V HN 0.318 nan 8.190 nan 0.000 0.449 103 L N 0.560 121.848 121.223 0.109 0.000 2.129 103 L HA -0.177 4.160 4.340 -0.005 0.000 0.212 103 L C 2.489 179.425 176.870 0.109 0.000 1.087 103 L CA 2.414 57.306 54.840 0.087 0.000 0.757 103 L CB -0.813 41.263 42.059 0.029 0.000 0.896 103 L HN 0.347 nan 8.230 nan 0.000 0.434 104 S N -0.759 115.013 115.700 0.121 0.000 2.357 104 S HA -0.048 4.419 4.470 -0.005 0.000 0.221 104 S C 2.064 176.758 174.600 0.156 0.000 1.031 104 S CA 0.934 59.215 58.200 0.134 0.000 0.982 104 S CB -0.805 62.465 63.200 0.118 0.000 0.853 104 S HN 0.628 nan 8.310 nan 0.000 0.458 105 G N 1.625 110.502 108.800 0.130 0.000 2.442 105 G HA2 -0.112 3.845 3.960 -0.005 0.000 0.219 105 G HA3 -0.112 3.845 3.960 -0.005 0.000 0.219 105 G C 1.424 176.463 174.900 0.231 0.000 1.141 105 G CA 0.954 46.144 45.100 0.149 0.000 0.763 105 G HN 0.517 nan 8.290 nan 0.000 0.554 106 L N -0.247 121.083 121.223 0.178 0.000 2.056 106 L HA 0.070 4.407 4.340 -0.005 0.000 0.207 106 L C 2.848 179.830 176.870 0.185 0.000 1.078 106 L CA 0.443 55.381 54.840 0.164 0.000 0.749 106 L CB -0.380 41.751 42.059 0.119 0.000 0.901 106 L HN 0.153 nan 8.230 nan 0.000 0.433 107 L N -1.294 120.042 121.223 0.189 0.000 2.191 107 L HA -0.236 4.101 4.340 -0.005 0.000 0.212 107 L C 2.487 179.501 176.870 0.240 0.000 1.103 107 L CA 1.031 55.987 54.840 0.194 0.000 0.769 107 L CB -0.464 41.701 42.059 0.177 0.000 0.908 107 L HN 0.189 nan 8.230 nan 0.000 0.438 108 F N 0.831 120.848 119.950 0.113 0.000 2.031 108 F HA -0.219 4.305 4.527 -0.005 0.000 0.295 108 F C 2.221 178.100 175.800 0.131 0.000 1.133 108 F CA 1.567 59.631 58.000 0.107 0.000 1.188 108 F CB -0.395 38.656 39.000 0.084 0.000 0.974 108 F HN -0.170 nan 8.300 nan 0.000 0.473 109 L N 0.288 121.611 121.223 0.166 0.000 2.021 109 L HA -0.308 4.029 4.340 -0.005 0.000 0.215 109 L C 2.791 179.714 176.870 0.088 0.000 1.074 109 L CA 1.469 56.350 54.840 0.069 0.000 0.760 109 L CB -1.482 40.680 42.059 0.171 0.000 0.889 109 L HN 0.333 nan 8.230 nan 0.000 0.433 110 A N -0.009 122.899 122.820 0.146 0.000 1.908 110 A HA -0.196 4.121 4.320 -0.005 0.000 0.218 110 A C 2.546 180.311 177.584 0.301 0.000 1.181 110 A CA 1.894 54.063 52.037 0.220 0.000 0.627 110 A CB -0.763 18.367 19.000 0.217 0.000 0.818 110 A HN 0.431 nan 8.150 nan 0.000 0.445 111 A N -1.166 121.767 122.820 0.188 0.000 1.972 111 A HA -0.165 4.152 4.320 -0.005 0.000 0.219 111 A C 2.302 179.977 177.584 0.153 0.000 1.169 111 A CA 1.693 53.840 52.037 0.184 0.000 0.635 111 A CB -1.215 17.830 19.000 0.076 0.000 0.810 111 A HN 0.606 nan 8.150 nan 0.000 0.446 112 C N -2.913 116.376 119.300 -0.018 0.000 2.462 112 C HA -0.122 4.336 4.460 -0.005 0.000 0.278 112 C C 2.332 177.428 174.990 0.175 0.000 1.253 112 C CA 0.693 59.699 59.018 -0.019 0.000 1.713 112 C CB -1.579 26.057 27.740 -0.173 0.000 2.049 112 C HN 0.866 nan 8.230 nan 0.000 0.477 113 W N 0.603 121.938 121.300 0.059 0.000 2.335 113 W HA -0.174 4.483 4.660 -0.005 0.000 0.311 113 W C 2.648 179.255 176.519 0.146 0.000 1.213 113 W CA 1.830 59.235 57.345 0.099 0.000 1.274 113 W CB -0.578 28.919 29.460 0.062 0.000 1.148 113 W HN 0.438 nan 8.180 nan 0.000 0.498 114 H N -1.277 118.164 119.070 0.619 0.000 2.545 114 H HA -0.180 4.374 4.556 -0.005 0.000 0.282 114 H C 1.784 177.275 175.328 0.271 0.000 1.020 114 H CA 1.568 57.905 56.048 0.483 0.000 1.243 114 H CB -0.792 29.252 29.762 0.469 0.000 1.377 114 H HN 0.465 nan 8.280 nan 0.000 0.581 115 W N 0.737 122.116 121.300 0.132 0.000 2.526 115 W HA -0.097 4.560 4.660 -0.005 0.000 0.294 115 W C 1.680 178.204 176.519 0.009 0.000 1.181 115 W CA 0.673 58.054 57.345 0.060 0.000 1.373 115 W CB -0.354 29.107 29.460 0.001 0.000 1.112 115 W HN -0.120 nan 8.180 nan 0.000 0.545 116 V N 0.669 120.572 119.914 -0.018 0.000 2.358 116 V HA -0.254 3.863 4.120 -0.005 0.000 0.246 116 V C 0.569 176.354 176.094 -0.515 0.000 1.047 116 V CA 1.452 63.563 62.300 -0.316 0.000 1.035 116 V CB -0.810 30.660 31.823 -0.588 0.000 0.658 116 V HN 0.013 nan 8.190 nan 0.000 0.452 117 Y N 0.969 121.010 120.300 -0.431 0.000 2.832 117 Y HA 0.123 4.670 4.550 -0.004 0.000 0.372 117 Y C 1.228 176.949 175.900 -0.299 0.000 1.238 117 Y CA -1.264 56.486 58.100 -0.582 0.000 1.713 117 Y CB -0.668 37.071 38.460 -1.201 0.000 1.809 117 Y HN 0.474 nan 8.280 nan 0.000 0.472 118 W N -1.095 120.135 121.300 -0.116 0.000 2.518 118 W HA 0.003 4.660 4.660 -0.004 0.000 0.273 118 W C -0.150 176.421 176.519 0.086 0.000 1.247 118 W CA 0.627 57.937 57.345 -0.057 0.000 1.288 118 W CB -0.122 29.178 29.460 -0.267 0.000 1.107 118 W HN 0.273 nan 8.180 nan 0.000 0.586 119 D N 2.060 121.868 120.400 -0.986 0.000 3.134 119 D HA 0.220 4.857 4.640 -0.005 0.000 0.248 119 D C 0.109 176.220 176.300 -0.315 0.000 1.273 119 D CA -0.038 53.448 54.000 -0.856 0.000 0.904 119 D CB -0.725 39.077 40.800 -1.665 0.000 1.089 119 D HN -0.024 nan 8.370 nan 0.000 0.478 120 L N 0.960 122.170 121.223 -0.021 0.000 2.439 120 L HA 0.141 4.478 4.340 -0.005 0.000 0.269 120 L C 1.924 178.682 176.870 -0.187 0.000 1.179 120 L CA -0.437 54.343 54.840 -0.099 0.000 0.828 120 L CB 0.811 42.823 42.059 -0.079 0.000 1.106 120 L HN 0.143 nan 8.230 nan 0.000 0.467 121 E N 1.704 121.787 120.200 -0.195 0.000 2.153 121 E HA -0.244 4.103 4.350 -0.005 0.000 0.194 121 E C 1.738 178.201 176.600 -0.228 0.000 0.988 121 E CA 0.980 57.283 56.400 -0.162 0.000 0.811 121 E CB -0.333 29.294 29.700 -0.121 0.000 0.746 121 E HN 0.489 nan 8.360 nan 0.000 0.466 122 L N -0.035 120.940 121.223 -0.413 0.000 2.270 122 L HA -0.120 4.217 4.340 -0.005 0.000 0.217 122 L C 1.190 177.806 176.870 -0.423 0.000 1.107 122 L CA 1.545 56.098 54.840 -0.479 0.000 0.772 122 L CB -0.476 41.197 42.059 -0.643 0.000 0.902 122 L HN 0.167 nan 8.230 nan 0.000 0.439 123 F N -1.296 118.674 119.950 0.034 0.000 2.749 123 F HA 0.245 4.769 4.527 -0.004 0.000 0.300 123 F C 1.168 176.988 175.800 0.032 0.000 1.103 123 F CA -0.435 57.589 58.000 0.040 0.000 1.342 123 F CB -0.377 38.658 39.000 0.058 0.000 1.098 123 F HN -0.192 nan 8.300 nan 0.000 0.586 124 R N 1.270 121.838 120.500 0.113 0.000 2.312 124 R HA 0.181 4.518 4.340 -0.005 0.000 0.311 124 R C -0.814 175.512 176.300 0.044 0.000 1.004 124 R CA -0.540 55.607 56.100 0.078 0.000 0.902 124 R CB 0.974 31.297 30.300 0.038 0.000 1.073 124 R HN 0.018 nan 8.270 nan 0.000 0.457 125 D N 3.360 123.789 120.400 0.049 0.000 2.348 125 D HA 0.139 4.776 4.640 -0.005 0.000 0.253 125 D C -1.506 174.803 176.300 0.016 0.000 1.161 125 D CA -1.717 52.303 54.000 0.033 0.000 0.876 125 D CB 1.310 42.133 40.800 0.038 0.000 1.160 125 D HN 0.107 nan 8.370 nan 0.000 0.459 126 P HA -0.226 nan 4.420 nan 0.000 0.216 126 P C 1.122 178.422 177.300 -0.000 0.000 1.157 126 P CA 1.190 64.288 63.100 -0.004 0.000 0.880 126 P CB 0.126 31.821 31.700 -0.009 0.000 0.791 127 R N 0.387 120.888 120.500 0.002 0.000 2.126 127 R HA -0.135 4.203 4.340 -0.005 0.000 0.224 127 R C 2.026 178.329 176.300 0.006 0.000 1.128 127 R CA 3.131 59.232 56.100 0.001 0.000 0.895 127 R CB -2.129 28.171 30.300 0.001 0.000 0.817 127 R HN 0.218 nan 8.270 nan 0.000 0.435 128 T N -2.474 112.087 114.554 0.012 0.000 3.051 128 T HA 0.121 4.468 4.350 -0.005 0.000 0.269 128 T C 1.530 176.241 174.700 0.019 0.000 1.127 128 T CA 0.898 63.007 62.100 0.016 0.000 1.107 128 T CB -0.710 68.172 68.868 0.022 0.000 0.898 128 T HN 0.666 nan 8.240 nan 0.000 0.517 129 G N 2.137 110.948 108.800 0.018 0.000 2.186 129 G HA2 -0.309 3.649 3.960 -0.005 0.000 0.266 129 G HA3 -0.309 3.649 3.960 -0.005 0.000 0.266 129 G C -0.143 174.776 174.900 0.031 0.000 0.982 129 G CA 0.644 45.755 45.100 0.018 0.000 0.670 129 G HN 0.984 nan 8.290 nan 0.000 0.533 130 E N 0.287 120.512 120.200 0.040 0.000 2.263 130 E HA 0.633 4.980 4.350 -0.005 0.000 0.264 130 E C -2.735 173.908 176.600 0.072 0.000 0.923 130 E CA -2.776 53.657 56.400 0.055 0.000 0.802 130 E CB 2.199 31.927 29.700 0.047 0.000 1.228 130 E HN 0.103 nan 8.360 nan 0.000 0.417 131 P HA 0.024 nan 4.420 nan 0.000 0.261 131 P C -0.938 176.419 177.300 0.096 0.000 1.165 131 P CA 0.598 63.770 63.100 0.120 0.000 0.759 131 P CB 0.503 32.277 31.700 0.124 0.000 0.772 132 A N 3.656 126.546 122.820 0.117 0.000 2.594 132 A HA 0.631 4.948 4.320 -0.005 0.000 0.296 132 A C -1.597 176.057 177.584 0.118 0.000 1.056 132 A CA -0.662 51.432 52.037 0.095 0.000 0.693 132 A CB 0.913 19.959 19.000 0.078 0.000 1.278 132 A HN 0.394 nan 8.150 nan 0.000 0.408 133 L N 1.494 122.773 121.223 0.093 0.000 2.381 133 L HA 0.421 4.758 4.340 -0.005 0.000 0.274 133 L C -0.770 176.147 176.870 0.079 0.000 0.988 133 L CA -0.735 54.165 54.840 0.099 0.000 0.824 133 L CB 2.141 44.248 42.059 0.079 0.000 1.263 133 L HN 0.813 nan 8.230 nan 0.000 0.410 134 D N 3.151 123.599 120.400 0.080 0.000 2.498 134 D HA 0.177 4.814 4.640 -0.005 0.000 0.229 134 D C 1.123 177.467 176.300 0.074 0.000 1.188 134 D CA 0.015 54.065 54.000 0.083 0.000 1.028 134 D CB 0.465 41.308 40.800 0.071 0.000 1.087 134 D HN 0.407 nan 8.370 nan 0.000 0.510 135 L N 3.507 124.770 121.223 0.067 0.000 1.963 135 L HA -0.154 4.184 4.340 -0.005 0.000 0.220 135 L C -0.405 176.524 176.870 0.098 0.000 1.076 135 L CA 1.281 56.154 54.840 0.056 0.000 0.772 135 L CB -1.736 40.331 42.059 0.013 0.000 0.892 135 L HN 0.352 nan 8.230 nan 0.000 0.435 136 P HA -0.249 nan 4.420 nan 0.000 0.218 136 P C 1.478 178.906 177.300 0.214 0.000 1.154 136 P CA 1.650 64.871 63.100 0.203 0.000 0.872 136 P CB -0.011 31.820 31.700 0.220 0.000 0.790 137 K N -1.301 119.175 120.400 0.126 0.000 2.116 137 K HA -0.014 4.304 4.320 -0.005 0.000 0.203 137 K C 2.090 178.696 176.600 0.010 0.000 1.052 137 K CA 1.006 57.336 56.287 0.072 0.000 0.952 137 K CB -0.346 32.176 32.500 0.037 0.000 0.729 137 K HN 0.070 nan 8.250 nan 0.000 0.446 138 M N 0.042 119.630 119.600 -0.020 0.000 2.065 138 M HA -0.207 4.271 4.480 -0.005 0.000 0.259 138 M C 2.093 178.258 176.300 -0.224 0.000 1.071 138 M CA 1.760 56.943 55.300 -0.194 0.000 1.109 138 M CB -0.528 31.972 32.600 -0.168 0.000 1.313 138 M HN 0.156 nan 8.290 nan 0.000 0.408 139 F N 1.118 120.986 119.950 -0.137 0.000 2.115 139 F HA -0.191 4.333 4.527 -0.004 0.000 0.300 139 F C 2.079 177.874 175.800 -0.008 0.000 1.092 139 F CA 1.879 59.842 58.000 -0.062 0.000 1.245 139 F CB -1.128 37.828 39.000 -0.074 0.000 0.995 139 F HN 0.113 nan 8.300 nan 0.000 0.481 140 G N 0.915 109.573 108.800 -0.237 0.000 2.459 140 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.217 140 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.217 140 G C 1.848 176.681 174.900 -0.112 0.000 1.183 140 G CA 1.305 46.288 45.100 -0.195 0.000 0.776 140 G HN 0.491 nan 8.290 nan 0.000 0.552 141 I N 0.056 120.582 120.570 -0.073 0.000 2.076 141 I HA -0.256 3.911 4.170 -0.005 0.000 0.237 141 I C 2.558 178.768 176.117 0.155 0.000 1.059 141 I CA 1.789 63.099 61.300 0.016 0.000 1.317 141 I CB -0.800 37.179 38.000 -0.035 0.000 1.037 141 I HN 0.279 nan 8.210 nan 0.000 0.398 142 H N 0.152 119.243 119.070 0.035 0.000 2.289 142 H HA -0.258 4.295 4.556 -0.005 0.000 0.294 142 H C 2.165 177.492 175.328 -0.001 0.000 1.095 142 H CA 1.495 57.568 56.048 0.041 0.000 1.256 142 H CB -0.173 29.624 29.762 0.058 0.000 1.359 142 H HN 0.200 nan 8.280 nan 0.000 0.487 143 L N 0.845 122.056 121.223 -0.020 0.000 2.129 143 L HA -0.195 4.143 4.340 -0.005 0.000 0.212 143 L C 2.126 178.999 176.870 0.005 0.000 1.087 143 L CA 1.356 56.125 54.840 -0.119 0.000 0.757 143 L CB -0.849 40.889 42.059 -0.536 0.000 0.896 143 L HN 0.188 nan 8.230 nan 0.000 0.434 144 F N -0.501 119.417 119.950 -0.055 0.000 2.113 144 F HA -0.180 4.345 4.527 -0.005 0.000 0.297 144 F C 2.052 177.873 175.800 0.035 0.000 1.103 144 F CA 1.796 59.794 58.000 -0.003 0.000 1.248 144 F CB -0.333 38.668 39.000 0.002 0.000 0.999 144 F HN 0.067 nan 8.300 nan 0.000 0.475 145 L N 0.048 121.324 121.223 0.088 0.000 2.046 145 L HA -0.178 4.159 4.340 -0.005 0.000 0.208 145 L C 2.798 179.647 176.870 -0.035 0.000 1.077 145 L CA 1.175 56.026 54.840 0.018 0.000 0.747 145 L CB -1.253 40.893 42.059 0.145 0.000 0.896 145 L HN 0.261 nan 8.230 nan 0.000 0.432 146 A N 0.411 123.232 122.820 0.001 0.000 1.851 146 A HA -0.158 4.160 4.320 -0.005 0.000 0.216 146 A C 2.437 180.025 177.584 0.007 0.000 1.195 146 A CA 1.881 53.927 52.037 0.016 0.000 0.622 146 A CB -1.526 17.496 19.000 0.036 0.000 0.831 146 A HN 0.419 nan 8.150 nan 0.000 0.444 147 G N -0.397 108.383 108.800 -0.033 0.000 2.450 147 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.220 147 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.220 147 G C 1.458 176.351 174.900 -0.012 0.000 1.130 147 G CA 1.304 46.392 45.100 -0.020 0.000 0.760 147 G HN 0.512 nan 8.290 nan 0.000 0.557 148 L N 0.048 121.173 121.223 -0.163 0.000 2.046 148 L HA 0.080 4.417 4.340 -0.005 0.000 0.208 148 L C 2.435 179.370 176.870 0.109 0.000 1.077 148 L CA 1.625 56.387 54.840 -0.131 0.000 0.747 148 L CB -0.600 41.243 42.059 -0.359 0.000 0.896 148 L HN 0.205 nan 8.230 nan 0.000 0.432 149 L N -1.153 120.120 121.223 0.083 0.000 2.131 149 L HA -0.101 4.236 4.340 -0.005 0.000 0.206 149 L C 2.650 179.646 176.870 0.209 0.000 1.087 149 L CA 1.802 56.721 54.840 0.132 0.000 0.767 149 L CB -0.928 41.174 42.059 0.072 0.000 0.917 149 L HN 0.508 nan 8.230 nan 0.000 0.441 150 C N -0.570 118.852 119.300 0.203 0.000 2.413 150 C HA -0.243 4.214 4.460 -0.005 0.000 0.277 150 C C 2.748 177.939 174.990 0.335 0.000 1.228 150 C CA 1.145 60.336 59.018 0.287 0.000 1.731 150 C CB -1.335 26.520 27.740 0.191 0.000 2.042 150 C HN 0.670 nan 8.230 nan 0.000 0.468 151 F N 2.116 122.158 119.950 0.154 0.000 2.025 151 F HA 0.017 4.541 4.527 -0.005 0.000 0.297 151 F C 2.267 178.210 175.800 0.239 0.000 1.132 151 F CA 2.411 60.503 58.000 0.154 0.000 1.191 151 F CB -1.152 37.908 39.000 0.100 0.000 0.963 151 F HN 0.275 nan 8.300 nan 0.000 0.481 152 G N -0.229 108.687 108.800 0.192 0.000 2.513 152 G HA2 -0.382 3.575 3.960 -0.005 0.000 0.219 152 G HA3 -0.382 3.575 3.960 -0.005 0.000 0.219 152 G C 1.689 176.744 174.900 0.257 0.000 1.160 152 G CA 1.010 46.269 45.100 0.266 0.000 0.767 152 G HN 0.476 nan 8.290 nan 0.000 0.571 153 F N 2.527 122.528 119.950 0.085 0.000 2.065 153 F HA -0.051 4.473 4.527 -0.004 0.000 0.298 153 F C 2.548 178.340 175.800 -0.014 0.000 1.112 153 F CA 1.806 59.825 58.000 0.032 0.000 1.212 153 F CB -0.757 38.230 39.000 -0.021 0.000 0.975 153 F HN 0.106 nan 8.300 nan 0.000 0.476 154 G N -0.644 107.992 108.800 -0.274 0.000 2.394 154 G HA2 -0.110 3.848 3.960 -0.005 0.000 0.214 154 G HA3 -0.110 3.848 3.960 -0.005 0.000 0.214 154 G C 1.837 176.520 174.900 -0.362 0.000 1.176 154 G CA 0.893 45.758 45.100 -0.392 0.000 0.786 154 G HN 0.662 nan 8.290 nan 0.000 0.533 155 A N 0.223 122.770 122.820 -0.455 0.000 1.883 155 A HA 0.142 4.459 4.320 -0.005 0.000 0.217 155 A C 2.117 179.265 177.584 -0.725 0.000 1.186 155 A CA 1.587 53.203 52.037 -0.702 0.000 0.624 155 A CB -0.413 17.847 19.000 -1.232 0.000 0.822 155 A HN 0.353 nan 8.150 nan 0.000 0.444 156 F N -2.967 116.893 119.950 -0.151 0.000 2.553 156 F HA 0.180 4.705 4.527 -0.005 0.000 0.282 156 F C 2.148 177.919 175.800 -0.048 0.000 1.089 156 F CA 0.749 58.735 58.000 -0.023 0.000 1.411 156 F CB -0.458 38.606 39.000 0.106 0.000 1.125 156 F HN 0.336 nan 8.300 nan 0.000 0.610 157 H N 0.718 119.787 119.070 -0.002 0.000 2.260 157 H HA 0.010 4.563 4.556 -0.004 0.000 0.304 157 H C 2.092 177.285 175.328 -0.224 0.000 1.059 157 H CA 1.932 57.917 56.048 -0.105 0.000 1.305 157 H CB -0.250 29.469 29.762 -0.072 0.000 1.388 157 H HN 0.013 nan 8.280 nan 0.000 0.496 158 L N 0.243 121.343 121.223 -0.205 0.000 2.131 158 L HA -0.135 4.202 4.340 -0.005 0.000 0.210 158 L C 2.484 179.236 176.870 -0.197 0.000 1.092 158 L CA 1.641 56.336 54.840 -0.241 0.000 0.759 158 L CB -0.763 41.036 42.059 -0.433 0.000 0.903 158 L HN 0.564 nan 8.230 nan 0.000 0.435 159 T N -3.902 110.532 114.554 -0.200 0.000 3.043 159 T HA 0.153 4.501 4.350 -0.005 0.000 0.263 159 T C 1.600 176.227 174.700 -0.123 0.000 1.094 159 T CA 0.718 62.718 62.100 -0.166 0.000 1.127 159 T CB 0.414 69.167 68.868 -0.191 0.000 0.905 159 T HN 0.494 nan 8.240 nan 0.000 0.490 160 G N 0.702 109.432 108.800 -0.117 0.000 2.217 160 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.246 160 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.246 160 G C 0.621 175.514 174.900 -0.012 0.000 0.990 160 G CA 0.273 45.322 45.100 -0.084 0.000 0.627 160 G HN 0.444 nan 8.290 nan 0.000 0.522 161 L N -0.942 120.280 121.223 -0.002 0.000 1.963 161 L HA 0.172 4.509 4.340 -0.005 0.000 0.220 161 L C 1.543 178.578 176.870 0.276 0.000 1.076 161 L CA 2.726 57.617 54.840 0.085 0.000 0.772 161 L CB -0.323 41.726 42.059 -0.016 0.000 0.892 161 L HN 0.471 nan 8.230 nan 0.000 0.435 162 F N -0.331 119.705 119.950 0.145 0.000 2.646 162 F HA 0.591 5.115 4.527 -0.004 0.000 0.336 162 F C 0.100 175.935 175.800 0.059 0.000 1.437 162 F CA -0.233 57.850 58.000 0.139 0.000 1.142 162 F CB 0.329 39.461 39.000 0.220 0.000 1.530 162 F HN -0.011 nan 8.300 nan 0.000 0.591 163 G N 2.404 111.089 108.800 -0.192 0.000 2.349 163 G HA2 0.261 4.218 3.960 -0.005 0.000 0.294 163 G HA3 0.261 4.218 3.960 -0.005 0.000 0.294 163 G C -2.679 172.008 174.900 -0.356 0.000 1.380 163 G CA -0.542 44.313 45.100 -0.409 0.000 0.811 163 G HN -0.046 nan 8.290 nan 0.000 0.519 164 P HA 0.240 nan 4.420 nan 0.000 0.215 164 P C 1.222 178.395 177.300 -0.213 0.000 1.157 164 P CA 2.306 65.238 63.100 -0.280 0.000 0.856 164 P CB 0.571 32.129 31.700 -0.236 0.000 0.786 165 G N 0.539 109.190 108.800 -0.248 0.000 2.301 165 G HA2 0.162 4.119 3.960 -0.005 0.000 0.194 165 G HA3 0.162 4.119 3.960 -0.005 0.000 0.194 165 G C -0.849 174.064 174.900 0.023 0.000 1.266 165 G CA 0.007 45.041 45.100 -0.109 0.000 1.210 165 G HN 0.624 nan 8.290 nan 0.000 0.524 166 M N -2.333 117.276 119.600 0.015 0.000 2.880 166 M HA 0.631 5.108 4.480 -0.005 0.000 0.269 166 M C -1.302 175.049 176.300 0.085 0.000 1.248 166 M CA -0.981 54.377 55.300 0.097 0.000 0.821 166 M CB 2.116 34.762 32.600 0.076 0.000 1.650 166 M HN 0.847 nan 8.290 nan 0.000 0.479 167 W N 2.659 123.968 121.300 0.014 0.000 2.303 167 W HA 0.564 5.222 4.660 -0.004 0.000 0.318 167 W C -2.024 174.500 176.519 0.008 0.000 1.362 167 W CA 0.110 57.462 57.345 0.012 0.000 1.234 167 W CB 1.059 30.525 29.460 0.010 0.000 1.248 167 W HN 0.519 nan 8.180 nan 0.000 0.546 168 V N 5.307 124.992 119.914 -0.381 0.000 2.760 168 V HA 0.405 4.522 4.120 -0.005 0.000 0.309 168 V C -0.319 175.619 176.094 -0.259 0.000 1.077 168 V CA -0.619 61.568 62.300 -0.188 0.000 0.910 168 V CB 1.874 33.603 31.823 -0.157 0.000 1.008 168 V HN 0.537 nan 8.190 nan 0.000 0.424 169 S N 1.811 117.486 115.700 -0.041 0.000 2.651 169 S HA 0.525 4.992 4.470 -0.005 0.000 0.279 169 S C -1.165 173.451 174.600 0.027 0.000 1.148 169 S CA -0.765 57.446 58.200 0.018 0.000 0.837 169 S CB 1.701 65.026 63.200 0.208 0.000 1.138 169 S HN 0.943 nan 8.310 nan 0.000 0.478 170 D N 1.289 121.715 120.400 0.044 0.000 2.356 170 D HA 0.199 4.837 4.640 -0.005 0.000 0.258 170 D C -1.883 174.405 176.300 -0.020 0.000 1.279 170 D CA -0.874 53.143 54.000 0.028 0.000 1.016 170 D CB -0.687 40.158 40.800 0.074 0.000 1.107 170 D HN 0.268 nan 8.370 nan 0.000 0.544 171 P HA 0.013 nan 4.420 nan 0.000 0.242 171 P C -0.474 176.425 177.300 -0.668 0.000 1.197 171 P CA 0.832 63.711 63.100 -0.368 0.000 0.765 171 P CB -0.111 31.327 31.700 -0.437 0.000 0.936 172 Y N -1.504 118.797 120.300 0.002 0.000 2.685 172 Y HA 0.403 4.950 4.550 -0.005 0.000 0.257 172 Y C 1.170 177.105 175.900 0.058 0.000 1.053 172 Y CA -1.011 57.100 58.100 0.018 0.000 1.106 172 Y CB -0.166 38.296 38.460 0.004 0.000 1.193 172 Y HN -0.181 nan 8.280 nan 0.000 0.602 173 G N 1.810 110.692 108.800 0.137 0.000 2.196 173 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.261 173 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.261 173 G C 0.337 175.460 174.900 0.372 0.000 0.832 173 G CA 1.199 46.433 45.100 0.222 0.000 1.246 173 G HN 0.635 nan 8.290 nan 0.000 0.383 174 L N -0.381 121.032 121.223 0.316 0.000 2.953 174 L HA 0.168 4.505 4.340 -0.005 0.000 0.258 174 L C 2.152 179.162 176.870 0.235 0.000 1.100 174 L CA 0.769 55.794 54.840 0.308 0.000 0.971 174 L CB 0.307 42.525 42.059 0.265 0.000 1.474 174 L HN 0.316 nan 8.230 nan 0.000 0.540 175 T N -0.384 114.283 114.554 0.189 0.000 2.969 175 T HA 0.183 4.530 4.350 -0.005 0.000 0.250 175 T C 1.102 175.839 174.700 0.061 0.000 1.021 175 T CA 0.373 62.541 62.100 0.114 0.000 1.003 175 T CB 0.304 69.209 68.868 0.062 0.000 1.040 175 T HN 0.301 nan 8.240 nan 0.000 0.492 176 G N 2.527 111.393 108.800 0.110 0.000 2.754 176 G HA2 0.208 4.165 3.960 -0.005 0.000 0.228 176 G HA3 0.208 4.165 3.960 -0.005 0.000 0.228 176 G C 0.139 174.684 174.900 -0.591 0.000 1.016 176 G CA 0.694 45.745 45.100 -0.081 0.000 0.898 176 G HN 0.885 nan 8.290 nan 0.000 0.463 177 S N -1.141 113.643 115.700 -1.526 0.000 2.683 177 S HA 0.372 4.839 4.470 -0.005 0.000 0.264 177 S C -1.035 172.885 174.600 -1.133 0.000 1.066 177 S CA -0.494 56.855 58.200 -1.418 0.000 0.846 177 S CB 0.967 63.849 63.200 -0.531 0.000 1.114 177 S HN 1.182 nan 8.310 nan 0.000 0.476 178 V N 2.358 121.946 119.914 -0.544 0.000 2.432 178 V HA 0.602 4.719 4.120 -0.005 0.000 0.271 178 V C -0.375 175.600 176.094 -0.198 0.000 1.046 178 V CA 0.128 62.288 62.300 -0.234 0.000 0.945 178 V CB 0.789 32.581 31.823 -0.051 0.000 0.992 178 V HN 0.713 nan 8.190 nan 0.000 0.471 179 Q N 4.908 124.607 119.800 -0.170 0.000 2.377 179 Q HA 0.418 4.755 4.340 -0.005 0.000 0.279 179 Q C -2.851 173.082 176.000 -0.111 0.000 1.049 179 Q CA -1.962 53.759 55.803 -0.136 0.000 0.825 179 Q CB 2.865 31.512 28.738 -0.152 0.000 1.401 179 Q HN 0.369 nan 8.270 nan 0.000 0.404 180 P HA 0.121 nan 4.420 nan 0.000 0.271 180 P C -0.820 176.419 177.300 -0.101 0.000 1.220 180 P CA -0.066 62.975 63.100 -0.100 0.000 0.768 180 P CB 0.614 32.264 31.700 -0.084 0.000 0.848 181 V N 3.366 123.210 119.914 -0.116 0.000 2.417 181 V HA 0.584 4.702 4.120 -0.005 0.000 0.291 181 V C 0.426 176.434 176.094 -0.144 0.000 1.024 181 V CA -0.915 61.311 62.300 -0.123 0.000 0.861 181 V CB 1.336 33.083 31.823 -0.128 0.000 0.985 181 V HN 0.590 nan 8.190 nan 0.000 0.436 182 A N 6.918 129.657 122.820 -0.136 0.000 2.354 182 A HA 0.749 5.067 4.320 -0.005 0.000 0.269 182 A C -2.176 175.258 177.584 -0.250 0.000 1.109 182 A CA -1.287 50.659 52.037 -0.152 0.000 0.800 182 A CB 0.056 18.994 19.000 -0.103 0.000 1.045 182 A HN 0.688 nan 8.150 nan 0.000 0.489 183 P HA 0.199 nan 4.420 nan 0.000 0.276 183 P C -0.433 176.387 177.300 -0.799 0.000 1.264 183 P CA 0.383 63.063 63.100 -0.699 0.000 0.815 183 P CB 0.352 31.436 31.700 -1.025 0.000 1.121 184 E N -0.900 118.641 120.200 -1.098 0.000 2.558 184 E HA 0.137 4.484 4.350 -0.005 0.000 0.345 184 E C -1.118 175.132 176.600 -0.583 0.000 0.928 184 E CA -0.169 55.848 56.400 -0.638 0.000 0.774 184 E CB -0.371 29.132 29.700 -0.329 0.000 1.462 184 E HN 0.380 nan 8.360 nan 0.000 0.387 185 W N 3.059 124.386 121.300 0.045 0.000 3.211 185 W HA 0.360 5.017 4.660 -0.004 0.000 0.292 185 W C 1.007 177.605 176.519 0.132 0.000 1.268 185 W CA 0.096 57.493 57.345 0.088 0.000 1.702 185 W CB 0.257 29.759 29.460 0.071 0.000 1.092 185 W HN 0.601 nan 8.180 nan 0.000 0.643 186 G N 2.555 111.506 108.800 0.252 0.000 2.593 186 G HA2 -0.004 3.954 3.960 -0.005 0.000 0.279 186 G HA3 -0.004 3.954 3.960 -0.005 0.000 0.279 186 G C -0.772 174.263 174.900 0.225 0.000 1.329 186 G CA -0.318 44.901 45.100 0.198 0.000 1.036 186 G HN -0.130 nan 8.290 nan 0.000 0.555 187 P HA -0.050 nan 4.420 nan 0.000 0.216 187 P C 0.969 178.400 177.300 0.219 0.000 1.156 187 P CA 1.406 64.607 63.100 0.167 0.000 0.855 187 P CB 0.129 31.869 31.700 0.066 0.000 0.786 188 D N 0.166 120.644 120.400 0.130 0.000 2.411 188 D HA -0.075 4.562 4.640 -0.005 0.000 0.226 188 D C 1.872 178.222 176.300 0.083 0.000 0.988 188 D CA 0.886 54.944 54.000 0.096 0.000 0.938 188 D CB -0.787 40.044 40.800 0.051 0.000 0.883 188 D HN 0.123 nan 8.370 nan 0.000 0.525 189 G N -1.362 107.506 108.800 0.114 0.000 2.920 189 G HA2 -0.067 3.890 3.960 -0.005 0.000 0.208 189 G HA3 -0.067 3.890 3.960 -0.005 0.000 0.208 189 G C 0.566 175.366 174.900 -0.166 0.000 1.159 189 G CA -0.151 44.924 45.100 -0.042 0.000 0.784 189 G HN 0.256 nan 8.290 nan 0.000 0.535 190 F N 0.276 120.216 119.950 -0.018 0.000 2.653 190 F HA 0.310 4.834 4.527 -0.005 0.000 0.304 190 F C 0.978 176.752 175.800 -0.044 0.000 1.092 190 F CA -1.069 56.920 58.000 -0.019 0.000 1.279 190 F CB 0.365 39.365 39.000 -0.000 0.000 1.044 190 F HN 0.017 nan 8.300 nan 0.000 0.564 191 N N 3.237 121.972 118.700 0.058 0.000 2.411 191 N HA 0.056 4.794 4.740 -0.005 0.000 0.259 191 N C -1.564 173.887 175.510 -0.097 0.000 1.103 191 N CA -1.504 51.549 53.050 0.005 0.000 0.954 191 N CB 1.332 39.843 38.487 0.039 0.000 1.085 191 N HN -0.021 nan 8.380 nan 0.000 0.485 192 P HA -0.173 nan 4.420 nan 0.000 0.218 192 P C 0.297 177.355 177.300 -0.403 0.000 1.146 192 P CA 1.425 64.302 63.100 -0.371 0.000 0.820 192 P CB -0.028 31.343 31.700 -0.549 0.000 0.778 193 Y N -0.844 119.422 120.300 -0.057 0.000 2.462 193 Y HA 0.179 4.726 4.550 -0.005 0.000 0.293 193 Y C 1.179 177.045 175.900 -0.057 0.000 1.195 193 Y CA -0.468 57.595 58.100 -0.061 0.000 1.276 193 Y CB -0.672 37.741 38.460 -0.078 0.000 1.082 193 Y HN 0.020 nan 8.280 nan 0.000 0.514 194 N N 0.851 119.567 118.700 0.025 0.000 2.446 194 N HA 0.157 4.894 4.740 -0.005 0.000 0.265 194 N C -2.364 173.117 175.510 -0.049 0.000 0.975 194 N CA -1.832 51.214 53.050 -0.007 0.000 0.928 194 N CB 2.085 40.559 38.487 -0.022 0.000 1.160 194 N HN -0.077 nan 8.380 nan 0.000 0.495 195 P HA -0.054 nan 4.420 nan 0.000 0.215 195 P C 1.274 178.508 177.300 -0.110 0.000 1.153 195 P CA 1.158 64.221 63.100 -0.062 0.000 0.853 195 P CB 0.085 31.755 31.700 -0.051 0.000 0.788 196 G N -0.357 108.365 108.800 -0.130 0.000 2.507 196 G HA2 -0.278 3.679 3.960 -0.005 0.000 0.221 196 G HA3 -0.278 3.679 3.960 -0.005 0.000 0.221 196 G C 1.731 176.489 174.900 -0.237 0.000 1.119 196 G CA 1.104 46.086 45.100 -0.196 0.000 0.751 196 G HN 0.404 nan 8.290 nan 0.000 0.574 197 G N -0.017 108.667 108.800 -0.194 0.000 2.421 197 G HA2 -0.029 3.928 3.960 -0.005 0.000 0.217 197 G HA3 -0.029 3.928 3.960 -0.005 0.000 0.217 197 G C 1.652 176.463 174.900 -0.149 0.000 1.143 197 G CA 0.962 45.925 45.100 -0.229 0.000 0.784 197 G HN 0.342 nan 8.290 nan 0.000 0.541 198 V N 0.676 120.534 119.914 -0.094 0.000 2.809 198 V HA -0.115 4.003 4.120 -0.005 0.000 0.256 198 V C 2.840 178.976 176.094 0.070 0.000 1.080 198 V CA 1.195 63.504 62.300 0.016 0.000 1.102 198 V CB 0.099 31.910 31.823 -0.021 0.000 0.705 198 V HN 0.264 nan 8.190 nan 0.000 0.475 199 V N 0.359 120.216 119.914 -0.095 0.000 2.256 199 V HA -0.096 4.021 4.120 -0.005 0.000 0.240 199 V C 2.749 178.783 176.094 -0.101 0.000 1.036 199 V CA 1.617 63.825 62.300 -0.154 0.000 1.008 199 V CB -1.354 30.323 31.823 -0.243 0.000 0.648 199 V HN 0.473 nan 8.190 nan 0.000 0.453 200 A N 0.366 123.038 122.820 -0.248 0.000 1.896 200 A HA -0.403 3.915 4.320 -0.005 0.000 0.220 200 A C 2.125 179.694 177.584 -0.026 0.000 1.206 200 A CA 2.979 54.847 52.037 -0.280 0.000 0.647 200 A CB -1.178 17.485 19.000 -0.561 0.000 0.828 200 A HN 0.850 nan 8.150 nan 0.000 0.455 201 H N -0.857 118.154 119.070 -0.098 0.000 2.265 201 H HA -0.268 4.285 4.556 -0.004 0.000 0.293 201 H C 1.931 177.247 175.328 -0.020 0.000 1.089 201 H CA 2.714 58.717 56.048 -0.076 0.000 1.244 201 H CB -0.484 29.200 29.762 -0.129 0.000 1.355 201 H HN 0.670 nan 8.280 nan 0.000 0.485 202 H N -0.781 118.250 119.070 -0.065 0.000 2.456 202 H HA -0.014 4.539 4.556 -0.005 0.000 0.296 202 H C 2.393 177.716 175.328 -0.008 0.000 1.079 202 H CA 1.477 57.506 56.048 -0.031 0.000 1.322 202 H CB -0.084 29.749 29.762 0.117 0.000 1.388 202 H HN 0.421 nan 8.280 nan 0.000 0.538 203 I N -0.321 120.321 120.570 0.120 0.000 2.277 203 I HA -0.162 4.006 4.170 -0.005 0.000 0.243 203 I C 2.552 178.838 176.117 0.280 0.000 1.094 203 I CA 0.848 62.277 61.300 0.215 0.000 1.393 203 I CB -0.272 37.860 38.000 0.220 0.000 1.078 203 I HN 0.299 nan 8.210 nan 0.000 0.417 204 A N 0.925 123.854 122.820 0.182 0.000 1.832 204 A HA -0.117 4.200 4.320 -0.005 0.000 0.214 204 A C 2.539 180.141 177.584 0.031 0.000 1.200 204 A CA 1.787 53.906 52.037 0.138 0.000 0.610 204 A CB -1.095 18.002 19.000 0.162 0.000 0.842 204 A HN 0.386 nan 8.150 nan 0.000 0.444 205 A N -0.509 122.230 122.820 -0.134 0.000 1.940 205 A HA 0.056 4.373 4.320 -0.005 0.000 0.219 205 A C 2.384 179.931 177.584 -0.062 0.000 1.176 205 A CA 2.127 54.054 52.037 -0.184 0.000 0.631 205 A CB -1.448 17.226 19.000 -0.543 0.000 0.814 205 A HN 0.788 nan 8.150 nan 0.000 0.446 206 G N 0.097 108.904 108.800 0.012 0.000 2.459 206 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.217 206 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.217 206 G C 1.545 176.496 174.900 0.086 0.000 1.183 206 G CA 1.157 46.336 45.100 0.131 0.000 0.776 206 G HN 0.481 nan 8.290 nan 0.000 0.552 207 I N 0.257 120.883 120.570 0.093 0.000 2.099 207 I HA -0.183 3.984 4.170 -0.005 0.000 0.239 207 I C 2.830 178.945 176.117 -0.003 0.000 1.066 207 I CA 0.718 62.008 61.300 -0.016 0.000 1.324 207 I CB -0.475 37.525 38.000 -0.000 0.000 1.037 207 I HN 0.018 nan 8.210 nan 0.000 0.401 208 V N 1.262 121.188 119.914 0.020 0.000 2.370 208 V HA -0.292 3.825 4.120 -0.005 0.000 0.252 208 V C 2.501 178.613 176.094 0.030 0.000 1.068 208 V CA 2.274 64.589 62.300 0.025 0.000 1.061 208 V CB -1.417 30.423 31.823 0.028 0.000 0.656 208 V HN 0.641 nan 8.190 nan 0.000 0.455 209 G N -0.565 108.246 108.800 0.018 0.000 2.408 209 G HA2 -0.164 3.793 3.960 -0.005 0.000 0.217 209 G HA3 -0.164 3.793 3.960 -0.005 0.000 0.217 209 G C 1.525 176.427 174.900 0.004 0.000 1.150 209 G CA 0.829 45.940 45.100 0.017 0.000 0.776 209 G HN 0.501 nan 8.290 nan 0.000 0.542 210 I N 0.349 120.893 120.570 -0.042 0.000 2.202 210 I HA -0.094 4.073 4.170 -0.005 0.000 0.242 210 I C 2.643 178.834 176.117 0.124 0.000 1.091 210 I CA 0.637 61.889 61.300 -0.080 0.000 1.368 210 I CB -0.269 37.622 38.000 -0.182 0.000 1.058 210 I HN 0.143 nan 8.210 nan 0.000 0.410 211 I N 1.196 121.817 120.570 0.085 0.000 2.058 211 I HA -0.342 3.826 4.170 -0.005 0.000 0.235 211 I C 2.896 179.116 176.117 0.172 0.000 1.053 211 I CA 1.679 63.051 61.300 0.120 0.000 1.313 211 I CB -0.591 37.454 38.000 0.074 0.000 1.039 211 I HN 0.186 nan 8.210 nan 0.000 0.396 212 A N 0.900 123.802 122.820 0.137 0.000 1.971 212 A HA -0.249 4.068 4.320 -0.005 0.000 0.222 212 A C 2.353 180.105 177.584 0.280 0.000 1.182 212 A CA 2.313 54.454 52.037 0.174 0.000 0.649 212 A CB -1.642 17.436 19.000 0.131 0.000 0.818 212 A HN 0.587 nan 8.150 nan 0.000 0.458 213 G N -0.315 108.614 108.800 0.216 0.000 2.433 213 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.216 213 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.216 213 G C 1.551 176.595 174.900 0.239 0.000 1.186 213 G CA 1.008 46.233 45.100 0.207 0.000 0.779 213 G HN 0.455 nan 8.290 nan 0.000 0.543 214 L N -0.577 120.798 121.223 0.254 0.000 1.990 214 L HA -0.133 4.205 4.340 -0.005 0.000 0.213 214 L C 2.569 179.505 176.870 0.110 0.000 1.072 214 L CA 1.688 56.593 54.840 0.110 0.000 0.755 214 L CB -0.607 41.518 42.059 0.110 0.000 0.889 214 L HN 0.285 nan 8.230 nan 0.000 0.432 215 F N 0.393 120.354 119.950 0.019 0.000 2.027 215 F HA -0.356 4.168 4.527 -0.005 0.000 0.297 215 F C 2.773 178.530 175.800 -0.073 0.000 1.129 215 F CA 2.021 59.991 58.000 -0.050 0.000 1.195 215 F CB -0.439 38.505 39.000 -0.094 0.000 0.960 215 F HN 0.131 nan 8.300 nan 0.000 0.485 216 H N 0.342 119.677 119.070 0.441 0.000 2.518 216 H HA -0.055 4.499 4.556 -0.004 0.000 0.289 216 H C 2.238 177.611 175.328 0.075 0.000 1.051 216 H CA 1.688 57.913 56.048 0.295 0.000 1.280 216 H CB -0.270 29.655 29.762 0.271 0.000 1.380 216 H HN 0.419 nan 8.280 nan 0.000 0.566 217 I N 0.067 120.695 120.570 0.096 0.000 2.876 217 I HA -0.132 4.036 4.170 -0.005 0.000 0.264 217 I C 1.846 177.930 176.117 -0.055 0.000 1.204 217 I CA 0.499 61.799 61.300 0.000 0.000 1.485 217 I CB 0.182 38.140 38.000 -0.070 0.000 1.103 217 I HN 0.110 nan 8.210 nan 0.000 0.446 218 L N -0.392 120.761 121.223 -0.116 0.000 2.416 218 L HA 0.178 4.515 4.340 -0.005 0.000 0.188 218 L C 0.890 177.620 176.870 -0.234 0.000 1.145 218 L CA 0.122 54.859 54.840 -0.173 0.000 0.826 218 L CB -0.466 41.472 42.059 -0.202 0.000 1.064 218 L HN -0.185 nan 8.230 nan 0.000 0.490 219 V N 2.375 122.015 119.914 -0.458 0.000 2.673 219 V HA 0.036 4.153 4.120 -0.005 0.000 0.303 219 V C 0.455 176.425 176.094 -0.205 0.000 1.046 219 V CA -0.059 61.956 62.300 -0.475 0.000 1.126 219 V CB 0.253 31.437 31.823 -1.065 0.000 0.934 219 V HN 0.260 nan 8.190 nan 0.000 0.487 220 R N 5.068 125.511 120.500 -0.096 0.000 2.549 220 R HA 0.450 4.787 4.340 -0.005 0.000 0.267 220 R C -2.326 174.018 176.300 0.075 0.000 1.045 220 R CA -2.202 53.907 56.100 0.014 0.000 1.115 220 R CB 0.283 30.581 30.300 -0.003 0.000 1.121 220 R HN 0.506 nan 8.270 nan 0.000 0.543 221 P HA 0.221 nan 4.420 nan 0.000 0.276 221 P C -2.477 174.903 177.300 0.133 0.000 1.253 221 P CA -1.322 61.890 63.100 0.186 0.000 0.766 221 P CB -0.154 31.710 31.700 0.273 0.000 0.845 222 P HA -0.047 nan 4.420 nan 0.000 0.260 222 P C 1.373 178.721 177.300 0.081 0.000 1.185 222 P CA 0.198 63.343 63.100 0.074 0.000 0.763 222 P CB 0.255 31.999 31.700 0.072 0.000 0.776 223 Q N 4.580 124.404 119.800 0.041 0.000 2.084 223 Q HA -0.362 3.975 4.340 -0.005 0.000 0.215 223 Q C 1.645 177.691 176.000 0.075 0.000 1.020 223 Q CA 2.066 57.889 55.803 0.033 0.000 0.887 223 Q CB -0.108 28.625 28.738 -0.008 0.000 0.975 223 Q HN 0.329 nan 8.270 nan 0.000 0.413 224 R N 0.002 120.533 120.500 0.051 0.000 2.134 224 R HA -0.187 4.151 4.340 -0.005 0.000 0.248 224 R C 2.475 178.809 176.300 0.057 0.000 1.143 224 R CA 1.728 57.855 56.100 0.044 0.000 0.957 224 R CB -1.181 29.137 30.300 0.031 0.000 0.867 224 R HN 0.433 nan 8.270 nan 0.000 0.441 225 L N -1.333 119.934 121.223 0.074 0.000 2.007 225 L HA -0.145 4.192 4.340 -0.005 0.000 0.205 225 L C 2.474 179.397 176.870 0.088 0.000 1.073 225 L CA 1.237 56.117 54.840 0.066 0.000 0.744 225 L CB -0.855 41.247 42.059 0.072 0.000 0.898 225 L HN 0.068 nan 8.230 nan 0.000 0.435 226 Y N 1.207 121.509 120.300 0.004 0.000 2.215 226 Y HA -0.381 4.167 4.550 -0.004 0.000 0.282 226 Y C 2.508 178.398 175.900 -0.016 0.000 1.207 226 Y CA 1.862 59.961 58.100 -0.001 0.000 1.196 226 Y CB -0.033 38.431 38.460 0.006 0.000 0.969 226 Y HN 0.093 nan 8.280 nan 0.000 0.528 227 K N -0.750 119.767 120.400 0.194 0.000 2.044 227 K HA -0.016 4.301 4.320 -0.005 0.000 0.204 227 K C 2.432 179.036 176.600 0.007 0.000 1.045 227 K CA 0.752 57.101 56.287 0.103 0.000 0.951 227 K CB -0.421 32.125 32.500 0.078 0.000 0.738 227 K HN 0.297 nan 8.250 nan 0.000 0.443 228 A N 1.948 124.767 122.820 -0.001 0.000 1.842 228 A HA -0.148 4.170 4.320 -0.005 0.000 0.217 228 A C 1.712 179.256 177.584 -0.066 0.000 1.206 228 A CA 1.416 53.431 52.037 -0.036 0.000 0.630 228 A CB -0.971 18.015 19.000 -0.023 0.000 0.839 228 A HN 0.225 nan 8.150 nan 0.000 0.447 229 L N -0.486 120.695 121.223 -0.071 0.000 2.873 229 L HA 0.101 4.438 4.340 -0.005 0.000 0.252 229 L C 0.303 177.079 176.870 -0.155 0.000 1.266 229 L CA -0.405 54.373 54.840 -0.103 0.000 1.111 229 L CB -0.620 41.380 42.059 -0.098 0.000 1.440 229 L HN 0.262 nan 8.230 nan 0.000 0.427 230 R N 0.238 120.647 120.500 -0.152 0.000 2.719 230 R HA -0.209 4.128 4.340 -0.005 0.000 0.213 230 R C 0.446 176.569 176.300 -0.295 0.000 0.770 230 R CA 0.736 56.724 56.100 -0.186 0.000 0.522 230 R CB -1.682 28.531 30.300 -0.144 0.000 1.198 230 R HN 0.463 nan 8.270 nan 0.000 0.516 231 M N -0.667 118.642 119.600 -0.485 0.000 2.081 231 M HA 0.071 4.548 4.480 -0.005 0.000 0.259 231 M C 1.885 177.795 176.300 -0.651 0.000 1.274 231 M CA 1.418 56.355 55.300 -0.606 0.000 1.103 231 M CB 0.056 32.179 32.600 -0.795 0.000 1.349 231 M HN 0.504 nan 8.290 nan 0.000 0.435 232 G N 1.253 109.798 108.800 -0.425 0.000 2.212 232 G HA2 -0.285 3.673 3.960 -0.005 0.000 0.267 232 G HA3 -0.285 3.673 3.960 -0.005 0.000 0.267 232 G C -0.266 174.571 174.900 -0.106 0.000 1.002 232 G CA 0.790 45.794 45.100 -0.160 0.000 0.729 232 G HN 0.803 nan 8.290 nan 0.000 0.517 233 N N -0.458 118.156 118.700 -0.142 0.000 2.609 233 N HA 0.349 5.086 4.740 -0.005 0.000 0.268 233 N C 0.980 176.429 175.510 -0.102 0.000 1.106 233 N CA -0.395 52.592 53.050 -0.104 0.000 0.823 233 N CB 0.696 39.112 38.487 -0.118 0.000 1.263 233 N HN 0.107 nan 8.380 nan 0.000 0.533 234 I N 1.653 122.178 120.570 -0.075 0.000 2.315 234 I HA -0.189 3.978 4.170 -0.005 0.000 0.251 234 I C 1.422 177.488 176.117 -0.086 0.000 1.125 234 I CA 1.287 62.546 61.300 -0.069 0.000 1.392 234 I CB 0.258 38.226 38.000 -0.053 0.000 1.065 234 I HN 0.650 nan 8.210 nan 0.000 0.424 235 E N -0.413 119.727 120.200 -0.100 0.000 2.482 235 E HA -0.185 4.163 4.350 -0.005 0.000 0.200 235 E C 1.392 177.917 176.600 -0.125 0.000 1.147 235 E CA 0.696 57.020 56.400 -0.128 0.000 0.912 235 E CB 0.029 29.653 29.700 -0.126 0.000 0.938 235 E HN 0.377 nan 8.360 nan 0.000 0.519 236 T N -1.979 112.509 114.554 -0.110 0.000 2.955 236 T HA 0.064 4.411 4.350 -0.005 0.000 0.251 236 T C 1.470 176.119 174.700 -0.085 0.000 1.002 236 T CA 0.157 62.197 62.100 -0.100 0.000 0.970 236 T CB 0.371 69.168 68.868 -0.120 0.000 1.091 236 T HN 0.035 nan 8.240 nan 0.000 0.495 237 V N 2.140 122.002 119.914 -0.086 0.000 2.490 237 V HA -0.061 4.056 4.120 -0.005 0.000 0.250 237 V C 2.408 178.475 176.094 -0.044 0.000 1.061 237 V CA 1.418 63.676 62.300 -0.070 0.000 1.064 237 V CB -0.558 31.240 31.823 -0.040 0.000 0.670 237 V HN 0.388 nan 8.190 nan 0.000 0.461 238 L N 0.198 121.386 121.223 -0.058 0.000 2.005 238 L HA -0.114 4.224 4.340 -0.005 0.000 0.207 238 L C 2.604 179.480 176.870 0.011 0.000 1.072 238 L CA 2.225 57.029 54.840 -0.060 0.000 0.744 238 L CB -0.762 41.178 42.059 -0.197 0.000 0.895 238 L HN 0.281 nan 8.230 nan 0.000 0.433 239 S N -0.489 115.226 115.700 0.025 0.000 2.387 239 S HA -0.228 4.239 4.470 -0.005 0.000 0.230 239 S C 2.035 176.785 174.600 0.250 0.000 1.035 239 S CA 1.567 59.866 58.200 0.165 0.000 1.014 239 S CB -0.667 62.574 63.200 0.068 0.000 0.836 239 S HN 0.784 nan 8.310 nan 0.000 0.466 240 S N 1.310 117.061 115.700 0.084 0.000 2.377 240 S HA 0.026 4.494 4.470 -0.005 0.000 0.223 240 S C 1.996 176.577 174.600 -0.031 0.000 1.030 240 S CA 0.938 59.143 58.200 0.008 0.000 0.970 240 S CB -0.597 62.565 63.200 -0.062 0.000 0.830 240 S HN 0.349 nan 8.310 nan 0.000 0.473 241 S N 2.403 118.104 115.700 0.001 0.000 2.353 241 S HA 0.006 4.473 4.470 -0.005 0.000 0.222 241 S C 1.817 176.452 174.600 0.058 0.000 1.035 241 S CA 1.600 59.812 58.200 0.021 0.000 1.025 241 S CB -0.692 62.532 63.200 0.040 0.000 0.902 241 S HN 0.487 nan 8.310 nan 0.000 0.440 242 I N 1.726 122.378 120.570 0.138 0.000 2.194 242 I HA -0.307 3.860 4.170 -0.005 0.000 0.246 242 I C 2.671 178.915 176.117 0.213 0.000 1.093 242 I CA 1.267 62.743 61.300 0.292 0.000 1.355 242 I CB -0.531 37.687 38.000 0.363 0.000 1.046 242 I HN 0.294 nan 8.210 nan 0.000 0.413 243 A N 0.460 123.232 122.820 -0.080 0.000 1.978 243 A HA -0.171 4.146 4.320 -0.005 0.000 0.220 243 A C 2.476 179.663 177.584 -0.662 0.000 1.170 243 A CA 1.957 53.633 52.037 -0.601 0.000 0.636 243 A CB -0.649 17.799 19.000 -0.921 0.000 0.810 243 A HN 0.482 nan 8.150 nan 0.000 0.448 244 A N -0.892 121.774 122.820 -0.258 0.000 1.874 244 A HA 0.120 4.437 4.320 -0.005 0.000 0.214 244 A C 2.186 179.758 177.584 -0.021 0.000 1.189 244 A CA 1.362 53.342 52.037 -0.095 0.000 0.615 244 A CB -0.879 18.112 19.000 -0.015 0.000 0.830 244 A HN 0.331 nan 8.150 nan 0.000 0.443 245 V N 0.129 120.049 119.914 0.010 0.000 2.332 245 V HA -0.283 3.834 4.120 -0.005 0.000 0.248 245 V C 2.448 178.577 176.094 0.060 0.000 1.055 245 V CA 2.380 64.697 62.300 0.027 0.000 1.038 245 V CB -1.047 30.809 31.823 0.056 0.000 0.651 245 V HN 0.797 nan 8.190 nan 0.000 0.450 246 F N -0.377 119.645 119.950 0.121 0.000 2.456 246 F HA -0.008 4.517 4.527 -0.004 0.000 0.298 246 F C 1.919 177.882 175.800 0.271 0.000 1.104 246 F CA 0.831 58.915 58.000 0.140 0.000 1.435 246 F CB -1.033 38.150 39.000 0.305 0.000 1.078 246 F HN 0.181 nan 8.300 nan 0.000 0.546 247 F N 2.127 121.967 119.950 -0.183 0.000 2.128 247 F HA 0.101 4.626 4.527 -0.005 0.000 0.295 247 F C 2.329 178.189 175.800 0.100 0.000 1.100 247 F CA 1.257 59.233 58.000 -0.040 0.000 1.260 247 F CB -1.104 37.740 39.000 -0.259 0.000 1.009 247 F HN 0.055 nan 8.300 nan 0.000 0.476 248 A N 0.919 123.606 122.820 -0.222 0.000 1.917 248 A HA -0.136 4.182 4.320 -0.005 0.000 0.219 248 A C 2.490 179.983 177.584 -0.152 0.000 1.182 248 A CA 2.397 54.261 52.037 -0.289 0.000 0.633 248 A CB -1.684 17.245 19.000 -0.119 0.000 0.819 248 A HN 0.582 nan 8.150 nan 0.000 0.448 249 A N -1.280 121.519 122.820 -0.034 0.000 1.858 249 A HA -0.050 4.267 4.320 -0.005 0.000 0.216 249 A C 1.943 179.543 177.584 0.026 0.000 1.190 249 A CA 1.650 53.681 52.037 -0.009 0.000 0.617 249 A CB -0.838 18.126 19.000 -0.059 0.000 0.827 249 A HN 0.461 nan 8.150 nan 0.000 0.443 250 F N -0.079 119.934 119.950 0.106 0.000 2.250 250 F HA -0.139 4.385 4.527 -0.005 0.000 0.301 250 F C 2.333 178.161 175.800 0.046 0.000 1.077 250 F CA 1.330 59.399 58.000 0.114 0.000 1.348 250 F CB -0.248 38.878 39.000 0.210 0.000 1.040 250 F HN 0.037 nan 8.300 nan 0.000 0.509 251 V N -0.507 119.471 119.914 0.107 0.000 2.407 251 V HA -0.199 3.919 4.120 -0.005 0.000 0.245 251 V C 2.389 178.503 176.094 0.033 0.000 1.041 251 V CA 1.463 63.763 62.300 0.001 0.000 1.040 251 V CB -0.759 30.921 31.823 -0.239 0.000 0.671 251 V HN 0.259 nan 8.190 nan 0.000 0.455 252 V N -0.512 119.414 119.914 0.020 0.000 2.626 252 V HA -0.106 4.011 4.120 -0.005 0.000 0.252 252 V C 2.478 178.668 176.094 0.159 0.000 1.067 252 V CA 1.762 64.098 62.300 0.059 0.000 1.081 252 V CB -1.466 30.401 31.823 0.075 0.000 0.686 252 V HN 0.379 nan 8.190 nan 0.000 0.468 253 A N 1.349 124.275 122.820 0.177 0.000 1.969 253 A HA 0.127 4.444 4.320 -0.005 0.000 0.218 253 A C 2.337 180.039 177.584 0.196 0.000 1.169 253 A CA 1.713 53.875 52.037 0.209 0.000 0.635 253 A CB -1.225 17.855 19.000 0.133 0.000 0.810 253 A HN 0.636 nan 8.150 nan 0.000 0.445 254 G N -0.551 108.376 108.800 0.211 0.000 2.408 254 G HA2 -0.102 3.855 3.960 -0.005 0.000 0.215 254 G HA3 -0.102 3.855 3.960 -0.005 0.000 0.215 254 G C 1.690 176.783 174.900 0.322 0.000 1.156 254 G CA 1.751 47.031 45.100 0.301 0.000 0.793 254 G HN 0.661 nan 8.290 nan 0.000 0.535 255 T N -1.645 113.012 114.554 0.172 0.000 3.035 255 T HA 0.025 4.372 4.350 -0.005 0.000 0.268 255 T C 2.206 176.928 174.700 0.036 0.000 1.109 255 T CA 1.372 63.524 62.100 0.087 0.000 1.119 255 T CB -0.072 68.782 68.868 -0.023 0.000 0.900 255 T HN 0.117 nan 8.240 nan 0.000 0.503 256 M N -0.174 119.448 119.600 0.036 0.000 2.248 256 M HA 0.277 4.754 4.480 -0.005 0.000 0.265 256 M C 1.944 178.297 176.300 0.089 0.000 1.079 256 M CA 0.818 56.087 55.300 -0.051 0.000 1.150 256 M CB -0.701 31.873 32.600 -0.042 0.000 1.366 256 M HN 0.482 nan 8.290 nan 0.000 0.433 257 W N -0.377 120.869 121.300 -0.090 0.000 2.409 257 W HA -0.211 4.446 4.660 -0.004 0.000 0.299 257 W C 1.134 177.604 176.519 -0.082 0.000 1.203 257 W CA 1.210 58.463 57.345 -0.154 0.000 1.298 257 W CB -0.154 29.116 29.460 -0.316 0.000 1.127 257 W HN 0.224 nan 8.180 nan 0.000 0.528 258 Y N 0.347 120.764 120.300 0.194 0.000 2.490 258 Y HA 0.279 4.826 4.550 -0.004 0.000 0.285 258 Y C 1.378 177.313 175.900 0.059 0.000 1.117 258 Y CA 1.109 59.242 58.100 0.055 0.000 1.262 258 Y CB -0.668 37.788 38.460 -0.006 0.000 1.043 258 Y HN -0.033 nan 8.280 nan 0.000 0.553 259 G N 0.466 109.374 108.800 0.181 0.000 2.692 259 G HA2 0.215 4.172 3.960 -0.005 0.000 0.686 259 G HA3 0.215 4.172 3.960 -0.005 0.000 0.686 259 G C -0.430 174.575 174.900 0.174 0.000 1.243 259 G CA -0.409 44.795 45.100 0.173 0.000 0.782 259 G HN 0.793 nan 8.290 nan 0.000 0.625 260 S N -0.628 115.142 115.700 0.118 0.000 2.643 260 S HA 0.876 5.343 4.470 -0.005 0.000 0.266 260 S C 1.121 175.761 174.600 0.066 0.000 1.130 260 S CA 0.480 58.621 58.200 -0.099 0.000 0.817 260 S CB 0.935 63.998 63.200 -0.228 0.000 1.107 260 S HN 2.515 nan 8.310 nan 0.000 0.471 261 A N 0.486 123.326 122.820 0.033 0.000 2.225 261 A HA 0.142 4.460 4.320 -0.005 0.000 0.215 261 A C 1.768 179.392 177.584 0.067 0.000 1.164 261 A CA 2.010 54.092 52.037 0.076 0.000 0.710 261 A CB -1.253 17.768 19.000 0.034 0.000 0.780 261 A HN 0.861 nan 8.150 nan 0.000 0.473 262 T N -0.547 114.019 114.554 0.019 0.000 3.051 262 T HA 0.048 4.396 4.350 -0.005 0.000 0.255 262 T C 0.936 175.644 174.700 0.013 0.000 1.085 262 T CA 1.394 63.506 62.100 0.021 0.000 1.109 262 T CB -0.073 68.782 68.868 -0.021 0.000 0.921 262 T HN 0.641 nan 8.240 nan 0.000 0.488 263 T N 2.010 116.553 114.554 -0.019 0.000 3.390 263 T HA 0.410 4.757 4.350 -0.005 0.000 0.351 263 T C -3.013 171.768 174.700 0.136 0.000 1.759 263 T CA -1.853 60.210 62.100 -0.061 0.000 1.561 263 T CB 0.916 69.585 68.868 -0.331 0.000 1.011 263 T HN 0.014 nan 8.240 nan 0.000 0.689 264 P HA 0.200 nan 4.420 nan 0.000 0.271 264 P C 1.609 178.940 177.300 0.053 0.000 1.216 264 P CA -0.648 62.532 63.100 0.133 0.000 0.771 264 P CB 1.099 32.913 31.700 0.190 0.000 0.864 265 I N 0.750 121.337 120.570 0.029 0.000 2.361 265 I HA -0.194 3.973 4.170 -0.005 0.000 0.251 265 I C 1.309 177.364 176.117 -0.103 0.000 1.133 265 I CA 1.351 62.611 61.300 -0.067 0.000 1.413 265 I CB -0.790 37.188 38.000 -0.038 0.000 1.073 265 I HN 0.249 nan 8.210 nan 0.000 0.424 266 E N 1.036 121.272 120.200 0.060 0.000 2.515 266 E HA -0.007 4.340 4.350 -0.005 0.000 0.201 266 E C 1.725 178.278 176.600 -0.079 0.000 1.071 266 E CA 0.701 57.198 56.400 0.162 0.000 0.880 266 E CB 0.110 30.017 29.700 0.345 0.000 0.828 266 E HN 0.661 nan 8.360 nan 0.000 0.540 267 L N -2.065 118.955 121.223 -0.338 0.000 2.854 267 L HA 0.165 4.502 4.340 -0.005 0.000 0.249 267 L C 1.060 177.510 176.870 -0.701 0.000 1.091 267 L CA 0.041 54.515 54.840 -0.611 0.000 0.935 267 L CB 0.419 41.860 42.059 -1.030 0.000 1.367 267 L HN 0.026 nan 8.230 nan 0.000 0.524 268 F N 0.209 120.006 119.950 -0.255 0.000 2.746 268 F HA 0.537 5.062 4.527 -0.005 0.000 0.313 268 F C 1.197 176.817 175.800 -0.299 0.000 1.095 268 F CA 0.121 58.004 58.000 -0.196 0.000 1.224 268 F CB 0.872 39.734 39.000 -0.229 0.000 1.060 268 F HN 0.015 nan 8.300 nan 0.000 0.584 269 G N 0.500 108.926 108.800 -0.623 0.000 2.612 269 G HA2 -0.065 3.892 3.960 -0.005 0.000 0.686 269 G HA3 -0.065 3.892 3.960 -0.005 0.000 0.686 269 G C -3.022 171.514 174.900 -0.608 0.000 1.274 269 G CA -1.500 42.877 45.100 -1.204 0.000 0.849 269 G HN -0.134 nan 8.290 nan 0.000 0.595 270 P HA 0.397 nan 4.420 nan 0.000 0.274 270 P C 0.349 177.528 177.300 -0.202 0.000 1.264 270 P CA 0.170 63.158 63.100 -0.188 0.000 0.795 270 P CB 0.492 32.147 31.700 -0.074 0.000 1.064 271 T N -0.337 114.139 114.554 -0.130 0.000 2.888 271 T HA 0.221 4.569 4.350 -0.005 0.000 0.284 271 T C 1.307 175.819 174.700 -0.314 0.000 1.017 271 T CA -0.497 61.446 62.100 -0.261 0.000 1.022 271 T CB 0.899 69.688 68.868 -0.133 0.000 1.013 271 T HN 0.355 nan 8.240 nan 0.000 0.465 272 R N 1.124 121.227 120.500 -0.661 0.000 2.152 272 R HA -0.084 4.254 4.340 -0.005 0.000 0.232 272 R C 0.962 176.996 176.300 -0.444 0.000 1.117 272 R CA 1.797 57.532 56.100 -0.609 0.000 0.981 272 R CB -0.586 29.188 30.300 -0.876 0.000 0.870 272 R HN 0.590 nan 8.270 nan 0.000 0.451 273 Y N 1.403 121.599 120.300 -0.174 0.000 2.457 273 Y HA 0.043 4.590 4.550 -0.005 0.000 0.292 273 Y C 2.206 178.074 175.900 -0.053 0.000 1.125 273 Y CA 0.834 58.882 58.100 -0.087 0.000 1.254 273 Y CB -0.138 38.263 38.460 -0.098 0.000 1.012 273 Y HN 0.159 nan 8.280 nan 0.000 0.555 274 Q N -0.946 118.903 119.800 0.081 0.000 2.123 274 Q HA -0.206 4.131 4.340 -0.005 0.000 0.199 274 Q C 2.082 178.243 176.000 0.269 0.000 0.966 274 Q CA 1.294 57.177 55.803 0.134 0.000 0.845 274 Q CB -0.524 28.372 28.738 0.263 0.000 0.907 274 Q HN 0.678 nan 8.270 nan 0.000 0.439 275 W N 2.353 123.710 121.300 0.095 0.000 2.381 275 W HA -0.171 4.486 4.660 -0.004 0.000 0.301 275 W C 0.706 177.257 176.519 0.054 0.000 1.205 275 W CA 1.378 58.775 57.345 0.087 0.000 1.285 275 W CB -0.029 29.421 29.460 -0.016 0.000 1.133 275 W HN 0.167 nan 8.180 nan 0.000 0.521 276 D N 0.507 120.939 120.400 0.054 0.000 2.116 276 D HA -0.194 4.443 4.640 -0.005 0.000 0.193 276 D C 2.124 178.383 176.300 -0.069 0.000 0.998 276 D CA 2.549 56.538 54.000 -0.018 0.000 0.836 276 D CB -0.791 40.047 40.800 0.063 0.000 0.951 276 D HN 0.195 nan 8.370 nan 0.000 0.449 277 S N -0.644 115.050 115.700 -0.010 0.000 2.660 277 S HA 0.150 4.617 4.470 -0.005 0.000 0.227 277 S C 0.567 175.158 174.600 -0.015 0.000 0.948 277 S CA -0.044 58.152 58.200 -0.007 0.000 0.948 277 S CB 0.190 63.402 63.200 0.020 0.000 0.779 277 S HN 0.018 nan 8.310 nan 0.000 0.487 278 S N 0.558 116.203 115.700 -0.091 0.000 3.581 278 S HA -0.250 4.217 4.470 -0.005 0.000 0.354 278 S C 0.519 175.158 174.600 0.066 0.000 1.059 278 S CA 0.799 58.943 58.200 -0.093 0.000 1.060 278 S CB -2.312 60.813 63.200 -0.125 0.000 0.908 278 S HN 0.771 nan 8.310 nan 0.000 0.475 279 Y N 1.434 121.714 120.300 -0.033 0.000 1.977 279 Y HA -0.298 4.249 4.550 -0.005 0.000 0.264 279 Y C 1.597 177.465 175.900 -0.054 0.000 1.167 279 Y CA 2.314 60.357 58.100 -0.095 0.000 1.102 279 Y CB -0.873 37.444 38.460 -0.238 0.000 0.948 279 Y HN 0.446 nan 8.280 nan 0.000 0.489 280 F N 0.368 120.353 119.950 0.058 0.000 2.365 280 F HA -0.161 4.363 4.527 -0.005 0.000 0.300 280 F C 2.695 178.474 175.800 -0.035 0.000 1.090 280 F CA 1.507 59.478 58.000 -0.048 0.000 1.408 280 F CB -0.727 38.361 39.000 0.146 0.000 1.060 280 F HN 0.249 nan 8.300 nan 0.000 0.534 281 Q N 0.531 120.436 119.800 0.175 0.000 2.119 281 Q HA -0.229 4.108 4.340 -0.005 0.000 0.201 281 Q C 1.963 177.985 176.000 0.037 0.000 0.972 281 Q CA 1.650 57.529 55.803 0.127 0.000 0.847 281 Q CB -0.118 28.667 28.738 0.079 0.000 0.903 281 Q HN 0.492 nan 8.270 nan 0.000 0.433 282 Q N -0.075 119.708 119.800 -0.030 0.000 2.083 282 Q HA -0.190 4.147 4.340 -0.005 0.000 0.198 282 Q C 1.945 177.856 176.000 -0.148 0.000 0.969 282 Q CA 1.320 57.079 55.803 -0.074 0.000 0.838 282 Q CB -0.023 28.677 28.738 -0.062 0.000 0.900 282 Q HN 0.292 nan 8.270 nan 0.000 0.436 283 E N 1.284 121.325 120.200 -0.265 0.000 2.110 283 E HA -0.157 4.190 4.350 -0.005 0.000 0.193 283 E C 1.623 178.043 176.600 -0.300 0.000 0.988 283 E CA 1.118 57.257 56.400 -0.435 0.000 0.804 283 E CB -0.167 28.916 29.700 -1.029 0.000 0.745 283 E HN 0.346 nan 8.360 nan 0.000 0.458 284 I N 0.407 120.872 120.570 -0.175 0.000 2.133 284 I HA -0.280 3.887 4.170 -0.005 0.000 0.238 284 I C 2.271 178.264 176.117 -0.206 0.000 1.074 284 I CA 1.081 62.306 61.300 -0.124 0.000 1.342 284 I CB -0.541 37.492 38.000 0.056 0.000 1.053 284 I HN 0.150 nan 8.210 nan 0.000 0.404 285 N N 0.949 119.565 118.700 -0.140 0.000 2.037 285 N HA -0.265 4.472 4.740 -0.005 0.000 0.196 285 N C 1.979 177.370 175.510 -0.198 0.000 1.034 285 N CA 1.577 54.524 53.050 -0.172 0.000 0.861 285 N CB -0.467 37.978 38.487 -0.070 0.000 1.039 285 N HN 0.284 nan 8.380 nan 0.000 0.427 286 R N 1.168 121.572 120.500 -0.160 0.000 2.134 286 R HA -0.141 4.197 4.340 -0.005 0.000 0.248 286 R C 2.251 178.450 176.300 -0.169 0.000 1.143 286 R CA 1.593 57.605 56.100 -0.147 0.000 0.957 286 R CB -0.037 30.178 30.300 -0.141 0.000 0.867 286 R HN 0.294 nan 8.270 nan 0.000 0.441 287 R N -0.575 119.803 120.500 -0.203 0.000 2.075 287 R HA -0.066 4.271 4.340 -0.005 0.000 0.232 287 R C 2.352 178.500 176.300 -0.252 0.000 1.126 287 R CA 1.427 57.407 56.100 -0.201 0.000 0.963 287 R CB -0.301 29.881 30.300 -0.196 0.000 0.858 287 R HN 0.117 nan 8.270 nan 0.000 0.435 288 V N 1.417 121.104 119.914 -0.380 0.000 2.295 288 V HA -0.246 3.872 4.120 -0.005 0.000 0.246 288 V C 2.385 178.266 176.094 -0.354 0.000 1.049 288 V CA 1.658 63.640 62.300 -0.531 0.000 1.024 288 V CB -0.432 30.780 31.823 -1.019 0.000 0.648 288 V HN 0.308 nan 8.190 nan 0.000 0.447 289 Q N -0.320 119.321 119.800 -0.265 0.000 2.226 289 Q HA -0.107 4.231 4.340 -0.005 0.000 0.204 289 Q C 2.379 178.297 176.000 -0.136 0.000 0.975 289 Q CA 1.707 57.407 55.803 -0.171 0.000 0.866 289 Q CB -0.639 28.023 28.738 -0.126 0.000 0.915 289 Q HN 0.672 nan 8.270 nan 0.000 0.440 290 A N 0.463 123.200 122.820 -0.139 0.000 1.873 290 A HA -0.132 4.185 4.320 -0.005 0.000 0.215 290 A C 2.470 179.995 177.584 -0.099 0.000 1.186 290 A CA 1.712 53.686 52.037 -0.105 0.000 0.616 290 A CB -0.536 18.404 19.000 -0.101 0.000 0.823 290 A HN 0.315 nan 8.150 nan 0.000 0.442 291 S N -0.065 115.561 115.700 -0.124 0.000 2.383 291 S HA -0.091 4.376 4.470 -0.005 0.000 0.229 291 S C 1.776 176.319 174.600 -0.095 0.000 1.030 291 S CA 1.388 59.525 58.200 -0.106 0.000 1.002 291 S CB -0.443 62.680 63.200 -0.128 0.000 0.829 291 S HN 0.499 nan 8.310 nan 0.000 0.467 292 L N 0.845 121.999 121.223 -0.115 0.000 2.141 292 L HA -0.101 4.236 4.340 -0.005 0.000 0.209 292 L C 2.731 179.562 176.870 -0.065 0.000 1.094 292 L CA 1.021 55.807 54.840 -0.091 0.000 0.763 292 L CB -0.690 41.309 42.059 -0.101 0.000 0.908 292 L HN 0.326 nan 8.230 nan 0.000 0.437 293 A N 0.250 123.031 122.820 -0.065 0.000 1.873 293 A HA -0.172 4.145 4.320 -0.005 0.000 0.215 293 A C 2.209 179.769 177.584 -0.040 0.000 1.186 293 A CA 1.649 53.657 52.037 -0.049 0.000 0.616 293 A CB -0.628 18.343 19.000 -0.049 0.000 0.823 293 A HN 0.482 nan 8.150 nan 0.000 0.442 294 S N -0.555 115.119 115.700 -0.043 0.000 2.906 294 S HA 0.371 4.838 4.470 -0.005 0.000 0.234 294 S C 1.121 175.703 174.600 -0.030 0.000 0.973 294 S CA 0.639 58.819 58.200 -0.033 0.000 1.036 294 S CB -1.180 62.000 63.200 -0.034 0.000 0.798 294 S HN 1.901 nan 8.310 nan 0.000 0.498 295 G N 0.254 109.035 108.800 -0.031 0.000 2.305 295 G HA2 -0.077 3.881 3.960 -0.005 0.000 0.287 295 G HA3 -0.077 3.881 3.960 -0.005 0.000 0.287 295 G C 0.223 175.108 174.900 -0.025 0.000 1.036 295 G CA 0.026 45.110 45.100 -0.026 0.000 0.887 295 G HN 1.275 nan 8.290 nan 0.000 0.505 296 A N -0.427 122.373 122.820 -0.034 0.000 2.269 296 A HA 0.947 5.264 4.320 -0.005 0.000 0.319 296 A C 0.890 178.456 177.584 -0.030 0.000 1.110 296 A CA 0.593 52.612 52.037 -0.028 0.000 0.847 296 A CB 0.717 19.695 19.000 -0.037 0.000 1.161 296 A HN 1.630 nan 8.150 nan 0.000 0.497 297 T N -0.913 113.633 114.554 -0.013 0.000 2.847 297 T HA 0.347 4.694 4.350 -0.005 0.000 0.279 297 T C 1.051 175.739 174.700 -0.020 0.000 0.984 297 T CA -0.382 61.713 62.100 -0.008 0.000 0.988 297 T CB 0.489 69.369 68.868 0.021 0.000 1.040 297 T HN 0.481 nan 8.240 nan 0.000 0.528 298 L N 0.684 121.877 121.223 -0.049 0.000 2.079 298 L HA -0.037 4.300 4.340 -0.005 0.000 0.210 298 L C 2.648 179.556 176.870 0.064 0.000 1.081 298 L CA 1.757 56.529 54.840 -0.112 0.000 0.752 298 L CB -1.116 40.688 42.059 -0.424 0.000 0.896 298 L HN 0.808 nan 8.230 nan 0.000 0.433 299 E N -0.492 119.803 120.200 0.158 0.000 2.038 299 E HA -0.268 4.080 4.350 -0.005 0.000 0.195 299 E C 1.990 178.707 176.600 0.194 0.000 1.000 299 E CA 1.812 58.376 56.400 0.274 0.000 0.803 299 E CB -0.170 29.650 29.700 0.200 0.000 0.750 299 E HN 0.643 nan 8.360 nan 0.000 0.448 300 E N 0.806 121.070 120.200 0.106 0.000 2.051 300 E HA -0.193 4.154 4.350 -0.005 0.000 0.192 300 E C 2.102 178.735 176.600 0.055 0.000 0.991 300 E CA 0.935 57.378 56.400 0.072 0.000 0.799 300 E CB -0.186 29.534 29.700 0.033 0.000 0.748 300 E HN 0.211 nan 8.360 nan 0.000 0.449 301 A N 1.180 123.997 122.820 -0.004 0.000 1.849 301 A HA -0.212 4.105 4.320 -0.005 0.000 0.217 301 A C 1.899 179.425 177.584 -0.097 0.000 1.202 301 A CA 1.643 53.606 52.037 -0.123 0.000 0.629 301 A CB -1.336 17.501 19.000 -0.271 0.000 0.834 301 A HN 0.404 nan 8.150 nan 0.000 0.447 302 W N 0.390 121.729 121.300 0.065 0.000 2.342 302 W HA -0.119 4.538 4.660 -0.004 0.000 0.297 302 W C 2.765 179.433 176.519 0.248 0.000 1.213 302 W CA 1.398 58.847 57.345 0.174 0.000 1.251 302 W CB -0.294 29.287 29.460 0.201 0.000 1.136 302 W HN 0.285 nan 8.180 nan 0.000 0.526 303 S N -0.027 115.898 115.700 0.374 0.000 2.442 303 S HA -0.146 4.322 4.470 -0.005 0.000 0.236 303 S C 1.902 176.648 174.600 0.244 0.000 1.007 303 S CA 1.154 59.523 58.200 0.282 0.000 0.965 303 S CB -0.549 62.756 63.200 0.175 0.000 0.773 303 S HN 0.306 nan 8.310 nan 0.000 0.504 304 A N 1.223 124.148 122.820 0.174 0.000 2.014 304 A HA 0.151 4.468 4.320 -0.005 0.000 0.218 304 A C 0.865 178.524 177.584 0.125 0.000 1.163 304 A CA 0.373 52.475 52.037 0.108 0.000 0.652 304 A CB -0.293 18.727 19.000 0.032 0.000 0.808 304 A HN 0.361 nan 8.150 nan 0.000 0.449 305 I N 2.745 123.427 120.570 0.187 0.000 2.680 305 I HA 0.047 4.214 4.170 -0.005 0.000 0.286 305 I C -2.030 174.180 176.117 0.155 0.000 1.144 305 I CA -1.766 59.627 61.300 0.156 0.000 1.370 305 I CB -0.329 37.820 38.000 0.247 0.000 1.420 305 I HN 0.182 nan 8.210 nan 0.000 0.540 306 P HA 0.028 nan 4.420 nan 0.000 0.264 306 P C 0.677 178.014 177.300 0.062 0.000 1.193 306 P CA 0.012 63.175 63.100 0.103 0.000 0.763 306 P CB 0.892 32.653 31.700 0.101 0.000 0.810 307 E N 2.425 122.686 120.200 0.102 0.000 2.065 307 E HA -0.276 4.071 4.350 -0.005 0.000 0.201 307 E C 1.812 178.458 176.600 0.076 0.000 1.016 307 E CA 1.802 58.249 56.400 0.079 0.000 0.818 307 E CB -0.173 29.619 29.700 0.153 0.000 0.749 307 E HN 0.485 nan 8.360 nan 0.000 0.453 308 K N 1.017 121.482 120.400 0.108 0.000 2.089 308 K HA -0.195 4.122 4.320 -0.005 0.000 0.210 308 K C 2.146 178.874 176.600 0.213 0.000 1.048 308 K CA 1.145 57.520 56.287 0.146 0.000 0.926 308 K CB -0.283 32.345 32.500 0.214 0.000 0.714 308 K HN 0.079 nan 8.250 nan 0.000 0.448 309 L N 0.203 121.565 121.223 0.232 0.000 2.017 309 L HA -0.113 4.225 4.340 -0.005 0.000 0.208 309 L C 2.253 179.231 176.870 0.180 0.000 1.073 309 L CA 2.148 57.156 54.840 0.280 0.000 0.745 309 L CB -1.147 41.004 42.059 0.153 0.000 0.894 309 L HN 0.411 nan 8.230 nan 0.000 0.432 310 A N -0.575 122.243 122.820 -0.002 0.000 1.902 310 A HA -0.286 4.031 4.320 -0.005 0.000 0.217 310 A C 2.090 179.838 177.584 0.274 0.000 1.181 310 A CA 1.454 53.429 52.037 -0.103 0.000 0.623 310 A CB -0.954 17.477 19.000 -0.948 0.000 0.818 310 A HN 0.459 nan 8.150 nan 0.000 0.443 311 F N -0.298 119.712 119.950 0.099 0.000 2.161 311 F HA -0.185 4.340 4.527 -0.004 0.000 0.300 311 F C 1.960 177.722 175.800 -0.063 0.000 1.089 311 F CA 1.063 59.006 58.000 -0.095 0.000 1.282 311 F CB -0.794 37.987 39.000 -0.363 0.000 1.010 311 F HN 0.389 nan 8.300 nan 0.000 0.485 312 Y N -0.931 119.293 120.300 -0.126 0.000 2.497 312 Y HA -0.159 4.388 4.550 -0.005 0.000 0.292 312 Y C 1.443 177.177 175.900 -0.277 0.000 1.137 312 Y CA 1.118 58.893 58.100 -0.543 0.000 1.285 312 Y CB -0.417 37.068 38.460 -1.624 0.000 0.991 312 Y HN -0.067 nan 8.280 nan 0.000 0.556 313 D N -0.512 120.010 120.400 0.203 0.000 2.881 313 D HA -0.019 4.618 4.640 -0.005 0.000 0.240 313 D C -1.313 175.388 176.300 0.669 0.000 1.249 313 D CA 0.018 54.295 54.000 0.462 0.000 0.839 313 D CB -0.658 40.398 40.800 0.427 0.000 1.042 313 D HN 0.141 nan 8.370 nan 0.000 0.475 314 Y N 0.184 120.687 120.300 0.339 0.000 2.338 314 Y HA 0.294 4.841 4.550 -0.004 0.000 0.333 314 Y C 0.480 176.306 175.900 -0.124 0.000 0.968 314 Y CA -1.479 56.778 58.100 0.263 0.000 1.123 314 Y CB 0.784 39.375 38.460 0.218 0.000 1.165 314 Y HN -0.027 nan 8.280 nan 0.000 0.452 315 I N 3.821 123.954 120.570 -0.729 0.000 2.800 315 I HA -0.134 4.034 4.170 -0.005 0.000 0.266 315 I C 1.757 177.063 176.117 -1.351 0.000 1.249 315 I CA 1.816 62.234 61.300 -1.469 0.000 1.458 315 I CB -0.076 37.025 38.000 -1.499 0.000 1.093 315 I HN 0.991 nan 8.210 nan 0.000 0.466 316 G N 0.151 107.865 108.800 -1.810 0.000 2.956 316 G HA2 -0.113 3.845 3.960 -0.005 0.000 0.207 316 G HA3 -0.113 3.845 3.960 -0.005 0.000 0.207 316 G C 0.947 175.427 174.900 -0.699 0.000 1.162 316 G CA 0.084 44.359 45.100 -1.375 0.000 0.796 316 G HN 0.399 nan 8.290 nan 0.000 0.527 317 N N 0.239 118.571 118.700 -0.614 0.000 2.159 317 N HA 0.011 4.749 4.740 -0.005 0.000 0.217 317 N C -0.226 175.116 175.510 -0.281 0.000 1.223 317 N CA -0.262 52.640 53.050 -0.245 0.000 0.896 317 N CB 0.433 38.824 38.487 -0.161 0.000 1.064 317 N HN 0.123 nan 8.380 nan 0.000 0.518 318 N N 2.692 121.122 118.700 -0.449 0.000 2.420 318 N HA 0.125 4.862 4.740 -0.005 0.000 0.262 318 N C -1.879 173.422 175.510 -0.349 0.000 1.144 318 N CA -1.426 51.371 53.050 -0.423 0.000 0.952 318 N CB 1.573 39.685 38.487 -0.625 0.000 1.081 318 N HN -0.063 nan 8.380 nan 0.000 0.480 319 P HA -0.031 nan 4.420 nan 0.000 0.225 319 P C 0.413 177.661 177.300 -0.087 0.000 1.148 319 P CA 0.777 63.774 63.100 -0.172 0.000 0.779 319 P CB 0.227 31.803 31.700 -0.206 0.000 0.780 320 A N -1.670 121.048 122.820 -0.169 0.000 2.238 320 A HA -0.001 4.316 4.320 -0.005 0.000 0.208 320 A C 1.003 178.485 177.584 -0.171 0.000 1.177 320 A CA 0.790 52.776 52.037 -0.085 0.000 0.804 320 A CB -0.436 18.475 19.000 -0.149 0.000 0.823 320 A HN 0.012 nan 8.150 nan 0.000 0.482 321 K N -0.251 119.993 120.400 -0.260 0.000 2.095 321 K HA 0.627 4.945 4.320 -0.005 0.000 0.252 321 K C 0.337 176.834 176.600 -0.171 0.000 0.977 321 K CA 0.533 56.654 56.287 -0.277 0.000 0.900 321 K CB 1.224 33.389 32.500 -0.558 0.000 1.060 321 K HN 0.551 nan 8.250 nan 0.000 0.449 322 G N -0.681 108.066 108.800 -0.088 0.000 2.343 322 G HA2 0.296 4.254 3.960 -0.005 0.000 0.465 322 G HA3 0.296 4.254 3.960 -0.005 0.000 0.465 322 G C -0.902 173.941 174.900 -0.096 0.000 1.282 322 G CA -0.509 44.548 45.100 -0.072 0.000 0.996 322 G HN 0.797 nan 8.290 nan 0.000 0.521 323 G N -1.955 106.776 108.800 -0.116 0.000 2.692 323 G HA2 0.672 4.629 3.960 -0.005 0.000 0.291 323 G HA3 0.672 4.629 3.960 -0.005 0.000 0.291 323 G C 0.558 175.336 174.900 -0.202 0.000 1.423 323 G CA 0.308 45.334 45.100 -0.123 0.000 0.843 323 G HN 1.550 nan 8.290 nan 0.000 0.486 324 L N -0.158 120.896 121.223 -0.282 0.000 2.093 324 L HA 0.291 4.629 4.340 -0.005 0.000 0.208 324 L C 1.455 178.039 176.870 -0.476 0.000 1.085 324 L CA 1.816 56.356 54.840 -0.500 0.000 0.755 324 L CB -0.356 41.285 42.059 -0.697 0.000 0.904 324 L HN 0.468 nan 8.230 nan 0.000 0.435 325 F N -0.817 119.163 119.950 0.051 0.000 2.668 325 F HA 0.341 4.866 4.527 -0.004 0.000 0.301 325 F C 0.802 176.645 175.800 0.071 0.000 1.106 325 F CA -0.347 57.690 58.000 0.063 0.000 1.289 325 F CB -0.123 38.889 39.000 0.019 0.000 1.006 325 F HN -0.229 nan 8.300 nan 0.000 0.535 326 R N 1.464 122.077 120.500 0.189 0.000 3.235 326 R HA 0.182 4.519 4.340 -0.005 0.000 0.232 326 R C 0.445 176.868 176.300 0.204 0.000 1.475 326 R CA -0.180 56.013 56.100 0.154 0.000 1.405 326 R CB -0.069 30.292 30.300 0.103 0.000 1.266 326 R HN 0.174 nan 8.270 nan 0.000 0.650 327 T N -1.178 113.471 114.554 0.157 0.000 2.748 327 T HA 0.489 4.836 4.350 -0.005 0.000 0.304 327 T C 0.971 175.722 174.700 0.085 0.000 1.041 327 T CA 0.013 62.172 62.100 0.098 0.000 1.033 327 T CB 1.268 70.158 68.868 0.037 0.000 0.995 327 T HN 0.664 nan 8.240 nan 0.000 0.536 328 G N 1.243 110.061 108.800 0.029 0.000 2.698 328 G HA2 -0.001 3.956 3.960 -0.005 0.000 0.225 328 G HA3 -0.001 3.956 3.960 -0.005 0.000 0.225 328 G C -2.729 172.235 174.900 0.107 0.000 1.345 328 G CA -0.524 44.605 45.100 0.048 0.000 0.871 328 G HN 0.891 nan 8.290 nan 0.000 0.540 329 P HA 0.275 nan 4.420 nan 0.000 0.273 329 P C 1.116 178.479 177.300 0.106 0.000 1.250 329 P CA -0.254 62.912 63.100 0.110 0.000 0.793 329 P CB 0.413 32.149 31.700 0.060 0.000 1.011 330 M N 0.084 119.747 119.600 0.105 0.000 2.460 330 M HA -0.096 4.381 4.480 -0.005 0.000 0.263 330 M C 1.413 177.726 176.300 0.022 0.000 1.071 330 M CA 1.192 56.542 55.300 0.082 0.000 1.096 330 M CB -0.627 32.032 32.600 0.099 0.000 1.408 330 M HN 0.296 nan 8.290 nan 0.000 0.463 331 N N 0.578 119.283 118.700 0.009 0.000 2.396 331 N HA -0.119 4.619 4.740 -0.005 0.000 0.180 331 N C 1.508 176.997 175.510 -0.035 0.000 1.028 331 N CA 0.979 54.018 53.050 -0.017 0.000 0.893 331 N CB -0.176 38.298 38.487 -0.021 0.000 0.967 331 N HN 0.192 nan 8.380 nan 0.000 0.440 332 K N 1.039 121.427 120.400 -0.019 0.000 2.486 332 K HA 0.077 4.395 4.320 -0.005 0.000 0.194 332 K C 1.369 177.933 176.600 -0.060 0.000 1.033 332 K CA 0.218 56.489 56.287 -0.027 0.000 1.004 332 K CB -0.305 32.194 32.500 -0.001 0.000 0.798 332 K HN 0.132 nan 8.250 nan 0.000 0.495 333 G N 0.601 109.351 108.800 -0.083 0.000 2.672 333 G HA2 -0.121 3.837 3.960 -0.005 0.000 0.200 333 G HA3 -0.121 3.837 3.960 -0.005 0.000 0.200 333 G C 0.586 175.325 174.900 -0.269 0.000 1.819 333 G CA 0.431 45.435 45.100 -0.160 0.000 0.902 333 G HN 0.446 nan 8.290 nan 0.000 0.512 334 D N -0.066 120.100 120.400 -0.390 0.000 2.348 334 D HA 0.331 4.969 4.640 -0.005 0.000 0.216 334 D C 1.263 177.197 176.300 -0.610 0.000 0.970 334 D CA 0.855 54.481 54.000 -0.624 0.000 0.889 334 D CB -0.219 40.046 40.800 -0.892 0.000 0.912 334 D HN 0.960 nan 8.370 nan 0.000 0.524 335 G N -0.255 108.367 108.800 -0.296 0.000 2.612 335 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.686 335 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.686 335 G C -0.699 174.273 174.900 0.119 0.000 1.274 335 G CA -0.591 44.470 45.100 -0.065 0.000 0.849 335 G HN 0.245 nan 8.290 nan 0.000 0.595 336 I N 1.624 122.274 120.570 0.133 0.000 2.505 336 I HA 0.388 4.555 4.170 -0.005 0.000 0.287 336 I C 1.428 177.672 176.117 0.211 0.000 1.104 336 I CA 0.311 61.681 61.300 0.117 0.000 1.387 336 I CB 0.805 38.808 38.000 0.004 0.000 1.404 336 I HN 0.931 nan 8.210 nan 0.000 0.528 337 A N 7.177 130.114 122.820 0.195 0.000 2.524 337 A HA 0.102 4.419 4.320 -0.005 0.000 0.250 337 A C 0.895 178.343 177.584 -0.225 0.000 1.078 337 A CA -0.082 51.885 52.037 -0.117 0.000 0.761 337 A CB 0.399 19.128 19.000 -0.451 0.000 1.012 337 A HN 0.788 nan 8.150 nan 0.000 0.500 338 Q N 0.698 120.362 119.800 -0.225 0.000 2.462 338 Q HA 0.421 4.759 4.340 -0.005 0.000 0.224 338 Q C 0.501 176.431 176.000 -0.116 0.000 0.911 338 Q CA 1.432 57.147 55.803 -0.146 0.000 0.925 338 Q CB 0.376 29.055 28.738 -0.098 0.000 1.063 338 Q HN 1.083 nan 8.270 nan 0.000 0.572 339 A N -0.493 122.284 122.820 -0.073 0.000 2.586 339 A HA 0.428 4.745 4.320 -0.005 0.000 0.291 339 A C -2.206 175.474 177.584 0.160 0.000 1.062 339 A CA -0.700 51.359 52.037 0.037 0.000 0.666 339 A CB 0.283 19.273 19.000 -0.017 0.000 1.281 339 A HN 0.172 nan 8.150 nan 0.000 0.421 340 W N 2.334 123.570 121.300 -0.105 0.000 2.342 340 W HA 0.521 5.178 4.660 -0.005 0.000 0.310 340 W C 0.616 176.927 176.519 -0.347 0.000 1.128 340 W CA -0.715 56.337 57.345 -0.488 0.000 1.322 340 W CB 1.116 30.362 29.460 -0.357 0.000 1.251 340 W HN 0.797 nan 8.180 nan 0.000 0.439 341 K N 4.110 124.229 120.400 -0.469 0.000 2.209 341 K HA 0.138 4.456 4.320 -0.005 0.000 0.204 341 K C 0.979 177.114 176.600 -0.776 0.000 1.048 341 K CA 1.305 57.279 56.287 -0.522 0.000 0.940 341 K CB -0.250 32.019 32.500 -0.385 0.000 0.729 341 K HN 0.735 nan 8.250 nan 0.000 0.451 342 G N 0.156 108.126 108.800 -1.383 0.000 2.440 342 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.684 342 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.684 342 G C -1.668 172.831 174.900 -0.667 0.000 1.309 342 G CA -0.860 43.338 45.100 -1.504 0.000 0.931 342 G HN 0.340 nan 8.290 nan 0.000 0.612 343 H N 0.337 119.032 119.070 -0.624 0.000 2.803 343 H HA 0.638 5.191 4.556 -0.005 0.000 0.330 343 H C 0.641 175.575 175.328 -0.656 0.000 1.057 343 H CA 1.052 56.790 56.048 -0.516 0.000 1.458 343 H CB 1.057 30.039 29.762 -1.300 0.000 1.470 343 H HN 1.095 nan 8.280 nan 0.000 0.560 344 A N 5.411 127.447 122.820 -1.307 0.000 2.260 344 A HA 0.511 4.828 4.320 -0.005 0.000 0.314 344 A C -0.915 175.936 177.584 -1.223 0.000 1.257 344 A CA -0.715 50.396 52.037 -1.544 0.000 0.871 344 A CB 0.526 18.702 19.000 -1.372 0.000 1.166 344 A HN 0.545 nan 8.150 nan 0.000 0.522 345 V N 3.602 122.929 119.914 -0.980 0.000 2.384 345 V HA 0.412 4.529 4.120 -0.005 0.000 0.287 345 V C -0.827 174.866 176.094 -0.670 0.000 1.020 345 V CA -0.184 61.811 62.300 -0.510 0.000 0.850 345 V CB 0.678 32.447 31.823 -0.089 0.000 0.987 345 V HN 0.722 nan 8.190 nan 0.000 0.436 346 F N 4.480 124.252 119.950 -0.297 0.000 2.422 346 F HA 0.733 5.257 4.527 -0.004 0.000 0.333 346 F C 0.712 176.359 175.800 -0.255 0.000 1.095 346 F CA -0.501 57.344 58.000 -0.258 0.000 1.038 346 F CB 1.367 40.221 39.000 -0.244 0.000 1.156 346 F HN 0.290 nan 8.300 nan 0.000 0.483 347 R N 1.553 122.014 120.500 -0.065 0.000 2.808 347 R HA 0.418 4.755 4.340 -0.005 0.000 0.272 347 R C -1.245 175.008 176.300 -0.079 0.000 0.995 347 R CA -1.291 54.758 56.100 -0.084 0.000 0.917 347 R CB 2.294 32.548 30.300 -0.077 0.000 1.217 347 R HN 0.729 nan 8.270 nan 0.000 0.471 348 N N 0.537 119.194 118.700 -0.071 0.000 2.362 348 N HA 0.117 4.854 4.740 -0.005 0.000 0.299 348 N C 0.364 175.853 175.510 -0.034 0.000 1.170 348 N CA -0.781 52.231 53.050 -0.063 0.000 0.825 348 N CB 1.501 39.950 38.487 -0.063 0.000 1.299 348 N HN 0.626 nan 8.380 nan 0.000 0.502 349 K N 0.461 120.848 120.400 -0.022 0.000 2.159 349 K HA -0.315 4.002 4.320 -0.005 0.000 0.217 349 K C 0.611 177.206 176.600 -0.009 0.000 1.048 349 K CA 2.288 58.569 56.287 -0.010 0.000 0.941 349 K CB -0.440 32.059 32.500 -0.002 0.000 0.738 349 K HN 0.509 nan 8.250 nan 0.000 0.469 350 E N 0.014 120.210 120.200 -0.007 0.000 2.515 350 E HA 0.021 4.368 4.350 -0.005 0.000 0.201 350 E C 1.280 177.877 176.600 -0.006 0.000 1.071 350 E CA 0.993 57.392 56.400 -0.003 0.000 0.880 350 E CB 0.036 29.738 29.700 0.003 0.000 0.828 350 E HN 0.669 nan 8.360 nan 0.000 0.540 351 G N 0.361 109.152 108.800 -0.014 0.000 2.253 351 G HA2 -0.354 3.603 3.960 -0.005 0.000 0.251 351 G HA3 -0.354 3.603 3.960 -0.005 0.000 0.251 351 G C 0.042 174.929 174.900 -0.020 0.000 0.998 351 G CA 0.156 45.247 45.100 -0.015 0.000 0.621 351 G HN 0.388 nan 8.290 nan 0.000 0.524 352 E N 1.287 121.477 120.200 -0.018 0.000 2.502 352 E HA 0.270 4.617 4.350 -0.005 0.000 0.261 352 E C 0.477 177.044 176.600 -0.056 0.000 0.974 352 E CA 0.569 56.958 56.400 -0.019 0.000 0.936 352 E CB 0.494 30.190 29.700 -0.008 0.000 0.926 352 E HN 0.596 nan 8.360 nan 0.000 0.459 353 E N 3.991 124.145 120.200 -0.076 0.000 2.229 353 E HA 0.132 4.479 4.350 -0.005 0.000 0.283 353 E C -0.807 175.588 176.600 -0.342 0.000 1.030 353 E CA -0.699 55.580 56.400 -0.201 0.000 0.836 353 E CB 0.510 30.086 29.700 -0.207 0.000 1.068 353 E HN 0.197 nan 8.360 nan 0.000 0.401 354 L N 3.943 124.944 121.223 -0.371 0.000 2.365 354 L HA 0.537 4.874 4.340 -0.005 0.000 0.267 354 L C -0.397 176.098 176.870 -0.625 0.000 1.033 354 L CA -0.534 54.106 54.840 -0.333 0.000 0.802 354 L CB 0.377 42.333 42.059 -0.171 0.000 1.267 354 L HN 0.646 nan 8.230 nan 0.000 0.457 355 F N -0.656 119.314 119.950 0.033 0.000 2.569 355 F HA 0.454 4.978 4.527 -0.005 0.000 0.312 355 F C -0.014 175.776 175.800 -0.016 0.000 1.109 355 F CA -0.935 57.096 58.000 0.050 0.000 0.919 355 F CB 1.799 40.839 39.000 0.068 0.000 1.211 355 F HN -0.062 nan 8.300 nan 0.000 0.446 356 V N 3.051 123.046 119.914 0.135 0.000 2.427 356 V HA 0.310 4.428 4.120 -0.005 0.000 0.268 356 V C 0.318 176.491 176.094 0.131 0.000 1.046 356 V CA -0.673 61.648 62.300 0.035 0.000 0.970 356 V CB 0.693 32.474 31.823 -0.070 0.000 1.001 356 V HN 0.578 nan 8.190 nan 0.000 0.476 357 R N 5.479 126.062 120.500 0.138 0.000 2.446 357 R HA 0.116 4.453 4.340 -0.005 0.000 0.314 357 R C 0.381 176.812 176.300 0.218 0.000 1.003 357 R CA 0.438 56.650 56.100 0.187 0.000 1.018 357 R CB -0.105 30.344 30.300 0.248 0.000 0.945 357 R HN 0.669 nan 8.270 nan 0.000 0.419 358 R N 3.594 124.167 120.500 0.121 0.000 2.707 358 R HA 0.107 4.444 4.340 -0.005 0.000 0.270 358 R C 0.315 176.524 176.300 -0.151 0.000 1.083 358 R CA -0.323 55.843 56.100 0.110 0.000 1.182 358 R CB 0.498 30.871 30.300 0.122 0.000 1.084 358 R HN 0.598 nan 8.270 nan 0.000 0.528 359 M N 2.994 122.576 119.600 -0.030 0.000 2.105 359 M HA 0.266 4.743 4.480 -0.005 0.000 0.350 359 M C -2.314 173.992 176.300 0.010 0.000 1.308 359 M CA -1.704 53.395 55.300 -0.335 0.000 1.108 359 M CB 1.255 33.883 32.600 0.046 0.000 1.622 359 M HN 0.143 nan 8.290 nan 0.000 0.468 360 P HA 0.171 nan 4.420 nan 0.000 0.276 360 P C -0.077 177.396 177.300 0.288 0.000 1.230 360 P CA -0.021 63.225 63.100 0.243 0.000 0.776 360 P CB 1.025 32.943 31.700 0.364 0.000 0.888 361 A N 3.218 126.148 122.820 0.184 0.000 1.971 361 A HA -0.272 4.046 4.320 -0.005 0.000 0.222 361 A C 1.810 179.444 177.584 0.083 0.000 1.182 361 A CA 1.767 53.799 52.037 -0.009 0.000 0.649 361 A CB -1.721 17.205 19.000 -0.124 0.000 0.818 361 A HN 0.481 nan 8.150 nan 0.000 0.458 362 F N -1.055 118.910 119.950 0.024 0.000 2.192 362 F HA -0.041 4.483 4.527 -0.004 0.000 0.301 362 F C 0.527 176.203 175.800 -0.207 0.000 1.079 362 F CA 0.284 58.202 58.000 -0.137 0.000 1.303 362 F CB -0.623 38.205 39.000 -0.286 0.000 1.024 362 F HN 0.139 nan 8.300 nan 0.000 0.494 363 F N 0.564 120.654 119.950 0.234 0.000 2.424 363 F HA 0.171 4.696 4.527 -0.004 0.000 0.356 363 F C 1.546 177.449 175.800 0.171 0.000 1.110 363 F CA -0.615 57.502 58.000 0.195 0.000 1.161 363 F CB 0.501 39.657 39.000 0.261 0.000 1.115 363 F HN -0.191 nan 8.300 nan 0.000 0.507 364 E N 1.207 121.585 120.200 0.296 0.000 2.072 364 E HA -0.101 4.246 4.350 -0.005 0.000 0.191 364 E C 0.636 177.430 176.600 0.324 0.000 0.985 364 E CA 0.958 57.506 56.400 0.248 0.000 0.801 364 E CB -0.010 29.794 29.700 0.174 0.000 0.750 364 E HN 0.533 nan 8.360 nan 0.000 0.452 365 S N -0.793 115.120 115.700 0.355 0.000 2.542 365 S HA 0.629 5.096 4.470 -0.005 0.000 0.293 365 S C -0.840 174.011 174.600 0.419 0.000 1.089 365 S CA -0.911 57.499 58.200 0.349 0.000 0.961 365 S CB 1.969 65.315 63.200 0.244 0.000 1.062 365 S HN 0.058 nan 8.310 nan 0.000 0.483 366 F N 2.330 122.360 119.950 0.134 0.000 2.601 366 F HA 0.720 5.244 4.527 -0.005 0.000 0.309 366 F C -2.536 173.255 175.800 -0.016 0.000 1.089 366 F CA -1.574 56.425 58.000 -0.002 0.000 0.940 366 F CB 1.894 40.871 39.000 -0.038 0.000 1.273 366 F HN 0.626 nan 8.300 nan 0.000 0.450 367 P HA 0.328 nan 4.420 nan 0.000 0.277 367 P C -1.318 175.810 177.300 -0.285 0.000 1.240 367 P CA -0.325 62.541 63.100 -0.390 0.000 0.798 367 P CB 1.786 33.223 31.700 -0.438 0.000 0.979 368 V N 3.740 123.576 119.914 -0.131 0.000 2.368 368 V HA 0.265 4.382 4.120 -0.005 0.000 0.266 368 V C 0.589 176.658 176.094 -0.040 0.000 1.045 368 V CA -0.079 62.185 62.300 -0.061 0.000 0.899 368 V CB -0.145 31.635 31.823 -0.071 0.000 1.006 368 V HN 0.394 nan 8.190 nan 0.000 0.470 369 I N 6.049 126.601 120.570 -0.029 0.000 2.582 369 I HA 0.505 4.672 4.170 -0.005 0.000 0.292 369 I C -0.778 175.331 176.117 -0.012 0.000 1.066 369 I CA -0.586 60.694 61.300 -0.033 0.000 1.053 369 I CB 2.367 40.318 38.000 -0.081 0.000 1.241 369 I HN 0.331 nan 8.210 nan 0.000 0.421 370 L N 5.309 126.510 121.223 -0.037 0.000 2.356 370 L HA 0.626 4.963 4.340 -0.005 0.000 0.277 370 L C -0.189 176.654 176.870 -0.045 0.000 0.996 370 L CA -0.445 54.362 54.840 -0.055 0.000 0.822 370 L CB 2.161 44.138 42.059 -0.137 0.000 1.256 370 L HN 0.649 nan 8.230 nan 0.000 0.413 371 T N -2.452 112.124 114.554 0.035 0.000 2.901 371 T HA 0.559 4.906 4.350 -0.005 0.000 0.293 371 T C -0.614 174.192 174.700 0.176 0.000 1.084 371 T CA -0.958 61.178 62.100 0.060 0.000 1.008 371 T CB 2.343 71.248 68.868 0.061 0.000 1.170 371 T HN 0.532 nan 8.240 nan 0.000 0.509 372 D N 0.220 120.713 120.400 0.156 0.000 2.469 372 D HA 0.224 4.861 4.640 -0.005 0.000 0.278 372 D C 1.471 177.961 176.300 0.316 0.000 1.231 372 D CA -0.750 53.393 54.000 0.239 0.000 1.075 372 D CB 0.520 41.396 40.800 0.127 0.000 1.121 372 D HN 0.767 nan 8.370 nan 0.000 0.571 373 K N -0.594 119.982 120.400 0.294 0.000 2.032 373 K HA -0.148 4.170 4.320 -0.005 0.000 0.209 373 K C 1.088 177.715 176.600 0.045 0.000 1.048 373 K CA 1.238 57.606 56.287 0.135 0.000 0.927 373 K CB -0.562 32.014 32.500 0.127 0.000 0.712 373 K HN 0.199 nan 8.250 nan 0.000 0.441 374 N N 0.758 119.494 118.700 0.059 0.000 2.571 374 N HA -0.005 4.733 4.740 -0.005 0.000 0.189 374 N C 0.817 176.343 175.510 0.027 0.000 1.154 374 N CA 1.126 54.195 53.050 0.033 0.000 0.907 374 N CB 0.566 39.073 38.487 0.035 0.000 0.977 374 N HN 0.639 nan 8.380 nan 0.000 0.449 375 G N 0.083 108.906 108.800 0.039 0.000 2.143 375 G HA2 -0.275 3.683 3.960 -0.005 0.000 0.248 375 G HA3 -0.275 3.683 3.960 -0.005 0.000 0.248 375 G C -0.036 174.877 174.900 0.021 0.000 0.991 375 G CA 0.126 45.244 45.100 0.030 0.000 0.689 375 G HN 0.212 nan 8.290 nan 0.000 0.522 376 V N 1.124 121.054 119.914 0.026 0.000 2.488 376 V HA 0.373 4.490 4.120 -0.005 0.000 0.277 376 V C 1.318 177.393 176.094 -0.031 0.000 1.046 376 V CA -0.617 61.687 62.300 0.006 0.000 0.986 376 V CB 1.665 33.503 31.823 0.024 0.000 0.989 376 V HN 0.269 nan 8.190 nan 0.000 0.475 377 V N 7.034 126.889 119.914 -0.099 0.000 2.450 377 V HA 0.080 4.198 4.120 -0.005 0.000 0.281 377 V C 1.241 177.174 176.094 -0.269 0.000 1.019 377 V CA 0.277 62.437 62.300 -0.233 0.000 1.062 377 V CB 0.336 31.914 31.823 -0.408 0.000 0.979 377 V HN 0.885 nan 8.190 nan 0.000 0.477 378 K N 3.337 123.632 120.400 -0.176 0.000 2.350 378 K HA 0.491 4.808 4.320 -0.005 0.000 0.196 378 K C 0.420 177.018 176.600 -0.003 0.000 1.084 378 K CA 0.801 57.059 56.287 -0.048 0.000 0.967 378 K CB 1.194 33.683 32.500 -0.017 0.000 0.950 378 K HN 0.709 nan 8.250 nan 0.000 0.512 379 A N 1.970 124.731 122.820 -0.097 0.000 2.609 379 A HA 0.567 4.884 4.320 -0.005 0.000 0.291 379 A C -1.807 175.804 177.584 0.045 0.000 1.096 379 A CA -0.592 51.453 52.037 0.013 0.000 0.684 379 A CB 1.567 20.485 19.000 -0.137 0.000 1.282 379 A HN 0.216 nan 8.150 nan 0.000 0.412 380 D N -1.249 119.303 120.400 0.254 0.000 2.738 380 D HA 0.413 5.051 4.640 -0.005 0.000 0.308 380 D C -1.353 175.108 176.300 0.268 0.000 1.311 380 D CA -0.425 53.722 54.000 0.245 0.000 0.799 380 D CB 0.310 41.157 40.800 0.078 0.000 1.332 380 D HN 0.459 nan 8.370 nan 0.000 0.441 381 I N 1.077 121.691 120.570 0.073 0.000 2.371 381 I HA 0.334 4.502 4.170 -0.005 0.000 0.282 381 I C -2.050 174.079 176.117 0.020 0.000 1.031 381 I CA -1.732 59.538 61.300 -0.050 0.000 1.180 381 I CB 1.342 39.222 38.000 -0.199 0.000 1.336 381 I HN 0.237 nan 8.210 nan 0.000 0.467 382 P HA 0.024 nan 4.420 nan 0.000 0.269 382 P C 0.053 177.412 177.300 0.098 0.000 1.209 382 P CA 0.015 63.170 63.100 0.092 0.000 0.776 382 P CB 1.492 33.243 31.700 0.085 0.000 0.876 383 F N 2.431 122.375 119.950 -0.010 0.000 2.138 383 F HA 0.177 4.701 4.527 -0.005 0.000 0.283 383 F C 1.410 177.206 175.800 -0.007 0.000 1.100 383 F CA 0.731 58.723 58.000 -0.014 0.000 1.189 383 F CB 0.121 39.112 39.000 -0.014 0.000 1.060 383 F HN 0.128 nan 8.300 nan 0.000 0.492 384 R N 1.176 121.821 120.500 0.241 0.000 2.210 384 R HA 0.165 4.503 4.340 -0.005 0.000 0.338 384 R C 0.718 177.054 176.300 0.061 0.000 1.062 384 R CA -0.358 55.810 56.100 0.114 0.000 0.902 384 R CB 1.006 31.393 30.300 0.146 0.000 1.050 384 R HN 0.141 nan 8.270 nan 0.000 0.461 385 R N 2.173 122.681 120.500 0.013 0.000 2.189 385 R HA -0.027 4.310 4.340 -0.005 0.000 0.218 385 R C 1.993 178.300 176.300 0.012 0.000 1.074 385 R CA 1.132 57.238 56.100 0.010 0.000 0.991 385 R CB -0.420 29.873 30.300 -0.011 0.000 0.883 385 R HN 0.748 nan 8.270 nan 0.000 0.457 386 A N 1.190 124.018 122.820 0.013 0.000 1.969 386 A HA -0.268 4.049 4.320 -0.005 0.000 0.223 386 A C 0.923 178.512 177.584 0.008 0.000 1.218 386 A CA 2.155 54.198 52.037 0.011 0.000 0.667 386 A CB -0.243 18.767 19.000 0.017 0.000 0.826 386 A HN 0.461 nan 8.150 nan 0.000 0.472 387 E N -0.539 119.669 120.200 0.012 0.000 3.428 387 E HA 0.179 4.527 4.350 -0.005 0.000 0.191 387 E C -0.513 176.082 176.600 -0.008 0.000 0.980 387 E CA 0.177 56.577 56.400 -0.001 0.000 1.305 387 E CB 0.632 30.333 29.700 0.002 0.000 1.105 387 E HN 0.534 nan 8.360 nan 0.000 0.455 388 S N 0.303 116.003 115.700 0.001 0.000 2.531 388 S HA 0.189 4.657 4.470 -0.005 0.000 0.279 388 S C 0.743 175.300 174.600 -0.072 0.000 1.305 388 S CA -0.428 57.773 58.200 0.002 0.000 1.058 388 S CB 1.609 64.833 63.200 0.041 0.000 0.899 388 S HN 0.196 nan 8.310 nan 0.000 0.493 389 K N 1.532 121.816 120.400 -0.194 0.000 2.354 389 K HA 0.144 4.462 4.320 -0.005 0.000 0.194 389 K C -0.244 176.063 176.600 -0.490 0.000 1.045 389 K CA 0.445 56.474 56.287 -0.430 0.000 1.026 389 K CB 0.161 32.239 32.500 -0.705 0.000 0.866 389 K HN 0.785 nan 8.250 nan 0.000 0.530 390 Y N 0.930 121.258 120.300 0.047 0.000 2.660 390 Y HA 0.158 4.705 4.550 -0.005 0.000 0.254 390 Y C 0.359 176.322 175.900 0.105 0.000 1.176 390 Y CA -1.012 57.123 58.100 0.059 0.000 1.195 390 Y CB 0.048 38.540 38.460 0.054 0.000 1.190 390 Y HN -0.124 nan 8.280 nan 0.000 0.535 391 S N -0.566 115.256 115.700 0.203 0.000 2.558 391 S HA -0.101 4.366 4.470 -0.005 0.000 0.291 391 S C 0.949 175.731 174.600 0.304 0.000 1.306 391 S CA -0.396 57.938 58.200 0.224 0.000 1.056 391 S CB 0.272 63.548 63.200 0.126 0.000 0.836 391 S HN 0.265 nan 8.310 nan 0.000 0.504 392 F N 1.738 121.722 119.950 0.057 0.000 2.184 392 F HA -0.093 4.432 4.527 -0.004 0.000 0.301 392 F C 2.217 178.048 175.800 0.052 0.000 1.076 392 F CA 1.762 59.796 58.000 0.057 0.000 1.295 392 F CB -1.084 37.949 39.000 0.055 0.000 1.026 392 F HN 0.642 nan 8.300 nan 0.000 0.494 393 E N -0.143 120.196 120.200 0.232 0.000 2.028 393 E HA -0.205 4.143 4.350 -0.005 0.000 0.191 393 E C 2.118 178.772 176.600 0.090 0.000 0.988 393 E CA 1.400 57.879 56.400 0.132 0.000 0.799 393 E CB -0.544 29.212 29.700 0.092 0.000 0.755 393 E HN 0.437 nan 8.360 nan 0.000 0.447 394 Q N -0.079 119.769 119.800 0.081 0.000 2.364 394 Q HA -0.119 4.219 4.340 -0.005 0.000 0.209 394 Q C 1.432 177.457 176.000 0.043 0.000 0.977 394 Q CA 0.850 56.681 55.803 0.048 0.000 0.885 394 Q CB 0.139 28.894 28.738 0.029 0.000 0.941 394 Q HN 0.206 nan 8.270 nan 0.000 0.464 395 Q N -1.324 118.510 119.800 0.056 0.000 2.281 395 Q HA 0.134 4.471 4.340 -0.005 0.000 0.215 395 Q C 0.892 176.893 176.000 0.002 0.000 0.867 395 Q CA 0.692 56.510 55.803 0.025 0.000 0.940 395 Q CB 1.229 29.975 28.738 0.014 0.000 1.111 395 Q HN 0.456 nan 8.270 nan 0.000 0.513 396 G N 1.480 110.293 108.800 0.022 0.000 2.225 396 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.267 396 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.267 396 G C 0.332 175.225 174.900 -0.012 0.000 1.024 396 G CA 0.376 45.487 45.100 0.017 0.000 0.784 396 G HN 0.209 nan 8.290 nan 0.000 0.507 397 V N 0.879 120.755 119.914 -0.062 0.000 2.788 397 V HA 0.482 4.599 4.120 -0.005 0.000 0.307 397 V C 1.132 177.218 176.094 -0.014 0.000 1.069 397 V CA 1.027 63.233 62.300 -0.157 0.000 1.173 397 V CB 0.902 32.370 31.823 -0.591 0.000 0.925 397 V HN 1.114 nan 8.190 nan 0.000 0.492 398 T N 1.666 116.217 114.554 -0.006 0.000 2.883 398 T HA 0.727 5.074 4.350 -0.005 0.000 0.296 398 T C -0.998 173.687 174.700 -0.024 0.000 1.117 398 T CA -0.756 61.364 62.100 0.033 0.000 1.006 398 T CB 1.905 70.766 68.868 -0.012 0.000 1.191 398 T HN 0.694 nan 8.240 nan 0.000 0.508 399 V N 0.710 120.587 119.914 -0.062 0.000 2.709 399 V HA 0.794 4.911 4.120 -0.005 0.000 0.308 399 V C -1.115 174.771 176.094 -0.346 0.000 1.062 399 V CA -0.267 61.808 62.300 -0.376 0.000 0.901 399 V CB 2.175 33.731 31.823 -0.444 0.000 1.003 399 V HN 1.219 nan 8.190 nan 0.000 0.425 400 S N 5.507 120.856 115.700 -0.585 0.000 2.542 400 S HA 0.794 5.262 4.470 -0.005 0.000 0.293 400 S C -1.177 172.898 174.600 -0.874 0.000 1.089 400 S CA -0.299 57.568 58.200 -0.555 0.000 0.961 400 S CB 1.654 64.574 63.200 -0.466 0.000 1.062 400 S HN 0.586 nan 8.310 nan 0.000 0.483 401 F N 1.316 120.783 119.950 -0.805 0.000 2.538 401 F HA 0.637 5.161 4.527 -0.005 0.000 0.325 401 F C -0.894 174.314 175.800 -0.987 0.000 1.066 401 F CA -0.663 56.872 58.000 -0.776 0.000 0.946 401 F CB 1.371 40.027 39.000 -0.574 0.000 1.199 401 F HN 0.460 nan 8.300 nan 0.000 0.473 402 Y N 0.433 120.622 120.300 -0.185 0.000 2.332 402 Y HA 0.549 5.096 4.550 -0.005 0.000 0.325 402 Y C 0.207 176.033 175.900 -0.123 0.000 1.054 402 Y CA -1.459 56.578 58.100 -0.105 0.000 1.119 402 Y CB 1.768 40.217 38.460 -0.020 0.000 1.168 402 Y HN 0.854 nan 8.280 nan 0.000 0.439 403 G N 1.396 110.214 108.800 0.030 0.000 2.854 403 G HA2 0.403 4.360 3.960 -0.005 0.000 0.686 403 G HA3 0.403 4.360 3.960 -0.005 0.000 0.686 403 G C 0.049 174.697 174.900 -0.420 0.000 1.202 403 G CA -0.053 45.018 45.100 -0.049 0.000 0.878 403 G HN 1.863 nan 8.290 nan 0.000 0.583 404 G N 0.983 109.602 108.800 -0.302 0.000 2.483 404 G HA2 0.256 4.213 3.960 -0.005 0.000 0.521 404 G HA3 0.256 4.213 3.960 -0.005 0.000 0.521 404 G C 0.667 175.390 174.900 -0.294 0.000 1.278 404 G CA 0.674 45.528 45.100 -0.411 0.000 0.965 404 G HN 1.204 nan 8.290 nan 0.000 0.504 405 E N -0.309 119.716 120.200 -0.292 0.000 2.048 405 E HA -0.135 4.212 4.350 -0.005 0.000 0.202 405 E C 2.543 178.982 176.600 -0.269 0.000 1.021 405 E CA 1.773 58.033 56.400 -0.234 0.000 0.825 405 E CB -0.228 29.335 29.700 -0.227 0.000 0.756 405 E HN 0.512 nan 8.360 nan 0.000 0.454 406 L N 1.616 122.595 121.223 -0.407 0.000 2.645 406 L HA 0.041 4.378 4.340 -0.005 0.000 0.235 406 L C 0.742 177.418 176.870 -0.324 0.000 1.150 406 L CA -0.486 54.092 54.840 -0.437 0.000 0.911 406 L CB -0.797 40.706 42.059 -0.927 0.000 1.077 406 L HN -0.007 nan 8.230 nan 0.000 0.438 407 N N 1.342 119.883 118.700 -0.265 0.000 2.292 407 N HA 0.022 4.759 4.740 -0.005 0.000 0.258 407 N C 1.315 176.714 175.510 -0.184 0.000 1.261 407 N CA 1.426 54.358 53.050 -0.196 0.000 0.845 407 N CB 0.588 39.000 38.487 -0.126 0.000 1.064 407 N HN 0.315 nan 8.380 nan 0.000 0.471 408 G N 1.394 110.063 108.800 -0.218 0.000 2.212 408 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.266 408 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.266 408 G C -0.102 174.640 174.900 -0.263 0.000 0.978 408 G CA 0.606 45.585 45.100 -0.202 0.000 0.632 408 G HN 0.703 nan 8.290 nan 0.000 0.537 409 Q N 0.160 119.768 119.800 -0.319 0.000 2.205 409 Q HA 0.673 5.011 4.340 -0.005 0.000 0.249 409 Q C -0.351 175.323 176.000 -0.543 0.000 0.948 409 Q CA -0.016 55.523 55.803 -0.439 0.000 0.895 409 Q CB 1.516 29.959 28.738 -0.491 0.000 1.249 409 Q HN 0.236 nan 8.270 nan 0.000 0.458 410 T N 0.934 115.066 114.554 -0.704 0.000 2.900 410 T HA 0.650 4.998 4.350 -0.005 0.000 0.295 410 T C -1.297 172.927 174.700 -0.794 0.000 1.044 410 T CA -0.570 61.188 62.100 -0.570 0.000 0.995 410 T CB 0.665 69.343 68.868 -0.317 0.000 1.072 410 T HN 0.283 nan 8.240 nan 0.000 0.473 411 F N 1.154 121.098 119.950 -0.011 0.000 2.547 411 F HA 0.503 5.027 4.527 -0.004 0.000 0.316 411 F C 1.246 177.077 175.800 0.052 0.000 1.121 411 F CA -0.925 57.105 58.000 0.050 0.000 0.911 411 F CB 2.307 41.395 39.000 0.147 0.000 1.179 411 F HN 0.708 nan 8.300 nan 0.000 0.443 412 T N -3.634 111.048 114.554 0.213 0.000 3.016 412 T HA 0.058 4.406 4.350 -0.005 0.000 0.271 412 T C -0.116 174.676 174.700 0.152 0.000 0.968 412 T CA -0.234 61.954 62.100 0.146 0.000 0.891 412 T CB -0.205 68.706 68.868 0.072 0.000 1.149 412 T HN 0.511 nan 8.240 nan 0.000 0.524 413 D N 2.454 122.954 120.400 0.167 0.000 2.344 413 D HA 0.177 4.815 4.640 -0.005 0.000 0.253 413 D C -1.858 174.526 176.300 0.141 0.000 1.255 413 D CA -1.518 52.559 54.000 0.128 0.000 0.894 413 D CB 1.652 42.513 40.800 0.102 0.000 1.067 413 D HN -0.003 nan 8.370 nan 0.000 0.492 414 P HA -0.265 nan 4.420 nan 0.000 0.223 414 P C -1.457 175.912 177.300 0.115 0.000 1.073 414 P CA 2.338 65.538 63.100 0.167 0.000 1.008 414 P CB -1.035 30.737 31.700 0.119 0.000 0.760 415 P HA -0.198 nan 4.420 nan 0.000 0.217 415 P C 1.609 178.903 177.300 -0.009 0.000 1.162 415 P CA 2.361 65.457 63.100 -0.006 0.000 0.901 415 P CB -0.769 30.922 31.700 -0.016 0.000 0.793 416 T N -1.027 113.538 114.554 0.019 0.000 2.788 416 T HA -0.100 4.247 4.350 -0.005 0.000 0.268 416 T C 1.771 176.554 174.700 0.138 0.000 1.044 416 T CA 1.234 63.322 62.100 -0.020 0.000 1.139 416 T CB -0.938 67.925 68.868 -0.008 0.000 0.867 416 T HN -0.123 nan 8.240 nan 0.000 0.454 417 V N 1.502 121.580 119.914 0.274 0.000 2.295 417 V HA -0.181 3.936 4.120 -0.005 0.000 0.246 417 V C 2.412 178.785 176.094 0.465 0.000 1.049 417 V CA 1.599 64.178 62.300 0.465 0.000 1.024 417 V CB -0.478 31.649 31.823 0.508 0.000 0.648 417 V HN 0.469 nan 8.190 nan 0.000 0.447 418 K N 0.160 120.669 120.400 0.182 0.000 2.147 418 K HA -0.160 4.157 4.320 -0.005 0.000 0.205 418 K C 2.502 179.071 176.600 -0.051 0.000 1.049 418 K CA 1.517 57.707 56.287 -0.161 0.000 0.936 418 K CB -0.362 31.891 32.500 -0.411 0.000 0.722 418 K HN 0.447 nan 8.250 nan 0.000 0.446 419 S N 0.531 116.205 115.700 -0.045 0.000 2.351 419 S HA -0.209 4.258 4.470 -0.005 0.000 0.220 419 S C 1.940 176.526 174.600 -0.024 0.000 1.035 419 S CA 1.312 59.439 58.200 -0.121 0.000 1.031 419 S CB -0.345 62.672 63.200 -0.304 0.000 0.928 419 S HN 0.291 nan 8.310 nan 0.000 0.433 420 Y N 1.849 122.246 120.300 0.163 0.000 2.224 420 Y HA 0.060 4.608 4.550 -0.004 0.000 0.289 420 Y C 2.797 178.901 175.900 0.340 0.000 1.146 420 Y CA 0.611 58.881 58.100 0.282 0.000 1.182 420 Y CB -1.092 37.590 38.460 0.370 0.000 0.983 420 Y HN 0.397 nan 8.280 nan 0.000 0.524 421 A N 0.075 123.166 122.820 0.451 0.000 1.902 421 A HA -0.242 4.076 4.320 -0.005 0.000 0.217 421 A C 2.247 179.848 177.584 0.030 0.000 1.181 421 A CA 1.862 53.959 52.037 0.100 0.000 0.623 421 A CB -0.683 18.397 19.000 0.132 0.000 0.818 421 A HN 0.361 nan 8.150 nan 0.000 0.443 422 R N -0.907 119.605 120.500 0.020 0.000 2.200 422 R HA -0.120 4.217 4.340 -0.005 0.000 0.234 422 R C 1.670 177.930 176.300 -0.067 0.000 1.127 422 R CA 1.670 57.747 56.100 -0.039 0.000 0.989 422 R CB -0.082 30.202 30.300 -0.027 0.000 0.869 422 R HN 0.333 nan 8.270 nan 0.000 0.459 423 K N -0.954 119.499 120.400 0.088 0.000 2.202 423 K HA 0.262 4.579 4.320 -0.005 0.000 0.201 423 K C 1.616 178.343 176.600 0.211 0.000 1.051 423 K CA 0.978 57.387 56.287 0.203 0.000 0.977 423 K CB -0.103 32.628 32.500 0.386 0.000 0.792 423 K HN 0.169 nan 8.250 nan 0.000 0.469 424 A N 1.107 124.068 122.820 0.235 0.000 1.986 424 A HA -0.196 4.121 4.320 -0.005 0.000 0.220 424 A C 2.071 179.778 177.584 0.205 0.000 1.171 424 A CA 1.487 53.682 52.037 0.263 0.000 0.640 424 A CB -0.832 18.299 19.000 0.218 0.000 0.811 424 A HN 0.283 nan 8.150 nan 0.000 0.451 425 I N -1.465 119.115 120.570 0.015 0.000 2.300 425 I HA -0.289 3.878 4.170 -0.005 0.000 0.252 425 I C 1.312 177.521 176.117 0.154 0.000 1.119 425 I CA 1.370 62.657 61.300 -0.022 0.000 1.384 425 I CB -0.266 37.586 38.000 -0.247 0.000 1.062 425 I HN 0.377 nan 8.210 nan 0.000 0.426 426 F N 0.563 120.764 119.950 0.419 0.000 2.732 426 F HA 0.361 4.885 4.527 -0.005 0.000 0.303 426 F C 1.390 177.567 175.800 0.627 0.000 1.110 426 F CA 0.349 58.599 58.000 0.416 0.000 1.355 426 F CB -0.757 38.545 39.000 0.503 0.000 1.081 426 F HN 0.131 nan 8.300 nan 0.000 0.565 427 G N -0.130 109.144 108.800 0.790 0.000 2.482 427 G HA2 -0.186 3.771 3.960 -0.005 0.000 0.214 427 G HA3 -0.186 3.771 3.960 -0.005 0.000 0.214 427 G C -0.635 174.652 174.900 0.644 0.000 1.271 427 G CA -1.057 44.498 45.100 0.759 0.000 0.944 427 G HN -0.021 nan 8.290 nan 0.000 0.568 428 E N 0.522 121.101 120.200 0.632 0.000 2.529 428 E HA 0.177 4.524 4.350 -0.005 0.000 0.259 428 E C 0.773 177.668 176.600 0.491 0.000 0.966 428 E CA 0.382 57.108 56.400 0.544 0.000 0.937 428 E CB 0.248 30.238 29.700 0.483 0.000 0.923 428 E HN 0.470 nan 8.360 nan 0.000 0.468 429 I N 4.136 124.916 120.570 0.350 0.000 2.416 429 I HA 0.136 4.304 4.170 -0.005 0.000 0.288 429 I C 0.289 176.397 176.117 -0.014 0.000 1.051 429 I CA 0.037 61.507 61.300 0.282 0.000 1.375 429 I CB 0.173 38.377 38.000 0.340 0.000 1.407 429 I HN 0.249 nan 8.210 nan 0.000 0.516 430 F N 3.723 123.694 119.950 0.034 0.000 2.618 430 F HA 0.404 4.928 4.527 -0.005 0.000 0.332 430 F C 0.381 175.921 175.800 -0.433 0.000 1.061 430 F CA -0.756 57.096 58.000 -0.246 0.000 0.974 430 F CB 1.382 40.036 39.000 -0.577 0.000 1.310 430 F HN 0.359 nan 8.300 nan 0.000 0.491 431 E N 1.536 121.566 120.200 -0.283 0.000 2.092 431 E HA 0.354 4.701 4.350 -0.005 0.000 0.271 431 E C -1.643 174.718 176.600 -0.398 0.000 0.919 431 E CA -0.363 55.884 56.400 -0.255 0.000 0.760 431 E CB 0.599 30.218 29.700 -0.134 0.000 1.106 431 E HN 0.312 nan 8.360 nan 0.000 0.408 432 F N 1.973 121.958 119.950 0.057 0.000 2.432 432 F HA 0.218 4.742 4.527 -0.004 0.000 0.329 432 F C 0.540 176.337 175.800 -0.005 0.000 1.076 432 F CA -0.992 57.022 58.000 0.023 0.000 1.018 432 F CB 0.999 40.020 39.000 0.036 0.000 1.201 432 F HN 0.331 nan 8.300 nan 0.000 0.489 433 D N 0.338 120.845 120.400 0.178 0.000 2.443 433 D HA 0.132 4.769 4.640 -0.005 0.000 0.221 433 D C 0.755 177.099 176.300 0.073 0.000 1.097 433 D CA -0.384 53.662 54.000 0.077 0.000 0.865 433 D CB 0.947 41.761 40.800 0.023 0.000 1.034 433 D HN 0.597 nan 8.370 nan 0.000 0.511 434 T N 0.660 115.249 114.554 0.057 0.000 3.067 434 T HA -0.003 4.344 4.350 -0.005 0.000 0.257 434 T C 1.224 175.922 174.700 -0.003 0.000 1.105 434 T CA 0.220 62.331 62.100 0.019 0.000 1.104 434 T CB 0.102 68.975 68.868 0.009 0.000 0.925 434 T HN 0.163 nan 8.240 nan 0.000 0.498 435 E N 2.116 122.314 120.200 -0.002 0.000 1.996 435 E HA -0.094 4.254 4.350 -0.005 0.000 0.197 435 E C 2.384 178.973 176.600 -0.019 0.000 1.002 435 E CA 1.824 58.216 56.400 -0.013 0.000 0.840 435 E CB -1.300 28.391 29.700 -0.014 0.000 0.786 435 E HN 0.579 nan 8.360 nan 0.000 0.469 436 T N 2.859 117.399 114.554 -0.022 0.000 2.412 436 T HA -0.252 4.095 4.350 -0.005 0.000 0.228 436 T C 1.947 176.629 174.700 -0.031 0.000 1.426 436 T CA 2.303 64.384 62.100 -0.031 0.000 1.096 436 T CB -0.846 67.998 68.868 -0.040 0.000 0.834 436 T HN 0.157 nan 8.240 nan 0.000 0.439 437 L N 1.488 122.692 121.223 -0.030 0.000 2.610 437 L HA 0.198 4.535 4.340 -0.005 0.000 0.232 437 L C 0.930 177.785 176.870 -0.025 0.000 1.149 437 L CA 0.184 55.007 54.840 -0.029 0.000 0.872 437 L CB -1.032 41.009 42.059 -0.030 0.000 0.992 437 L HN 0.466 nan 8.230 nan 0.000 0.447 438 N N 0.603 119.289 118.700 -0.024 0.000 2.696 438 N HA -0.184 4.553 4.740 -0.005 0.000 0.256 438 N C -0.240 175.252 175.510 -0.029 0.000 1.031 438 N CA 0.556 53.592 53.050 -0.024 0.000 0.730 438 N CB -0.892 37.583 38.487 -0.020 0.000 0.894 438 N HN 0.255 nan 8.380 nan 0.000 0.544 439 S N 0.354 116.032 115.700 -0.037 0.000 2.593 439 S HA 0.152 4.620 4.470 -0.005 0.000 0.269 439 S C 1.116 175.678 174.600 -0.062 0.000 1.334 439 S CA 0.089 58.257 58.200 -0.055 0.000 1.015 439 S CB 0.962 64.117 63.200 -0.075 0.000 0.912 439 S HN 0.586 nan 8.310 nan 0.000 0.541 440 D N -0.948 119.406 120.400 -0.077 0.000 2.407 440 D HA 0.274 4.912 4.640 -0.005 0.000 0.208 440 D C 1.044 177.273 176.300 -0.118 0.000 1.083 440 D CA 0.274 54.227 54.000 -0.077 0.000 0.844 440 D CB -0.333 40.432 40.800 -0.057 0.000 0.967 440 D HN 0.774 nan 8.370 nan 0.000 0.506 441 G N 0.491 109.184 108.800 -0.179 0.000 2.160 441 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.244 441 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.244 441 G C -0.117 174.559 174.900 -0.373 0.000 1.022 441 G CA 0.192 45.127 45.100 -0.274 0.000 0.741 441 G HN 0.429 nan 8.290 nan 0.000 0.508 442 I N 0.515 120.899 120.570 -0.310 0.000 2.410 442 I HA 0.410 4.577 4.170 -0.005 0.000 0.286 442 I C 0.392 176.363 176.117 -0.244 0.000 1.009 442 I CA -1.257 59.874 61.300 -0.281 0.000 1.111 442 I CB 0.884 38.820 38.000 -0.107 0.000 1.262 442 I HN -0.049 nan 8.210 nan 0.000 0.443 443 F N 5.518 125.381 119.950 -0.144 0.000 2.635 443 F HA 0.057 4.581 4.527 -0.005 0.000 0.379 443 F C 0.991 176.726 175.800 -0.109 0.000 1.094 443 F CA 0.586 58.483 58.000 -0.171 0.000 1.300 443 F CB 0.055 38.915 39.000 -0.233 0.000 1.035 443 F HN 0.377 nan 8.300 nan 0.000 0.581 444 R N 0.511 121.082 120.500 0.117 0.000 2.854 444 R HA 0.464 4.801 4.340 -0.005 0.000 0.271 444 R C -0.304 176.031 176.300 0.059 0.000 0.994 444 R CA -1.039 55.115 56.100 0.091 0.000 0.945 444 R CB 2.058 32.434 30.300 0.126 0.000 1.194 444 R HN 0.620 nan 8.270 nan 0.000 0.476 445 T N 0.320 114.878 114.554 0.007 0.000 2.899 445 T HA 0.218 4.565 4.350 -0.005 0.000 0.284 445 T C 0.302 175.069 174.700 0.112 0.000 1.004 445 T CA -0.424 61.638 62.100 -0.063 0.000 1.043 445 T CB 0.705 69.375 68.868 -0.331 0.000 1.013 445 T HN 0.653 nan 8.240 nan 0.000 0.518 446 S N 3.683 119.464 115.700 0.136 0.000 2.645 446 S HA 0.344 4.811 4.470 -0.005 0.000 0.266 446 S C -1.847 172.998 174.600 0.408 0.000 1.258 446 S CA -1.104 57.276 58.200 0.300 0.000 0.990 446 S CB 0.604 63.965 63.200 0.267 0.000 0.967 446 S HN 0.506 nan 8.310 nan 0.000 0.556 447 P HA -0.145 nan 4.420 nan 0.000 0.216 447 P C 1.728 179.395 177.300 0.613 0.000 1.153 447 P CA 1.245 64.743 63.100 0.663 0.000 0.858 447 P CB -0.047 32.042 31.700 0.648 0.000 0.789 448 R N -0.208 120.553 120.500 0.436 0.000 2.113 448 R HA -0.164 4.173 4.340 -0.005 0.000 0.244 448 R C 2.277 178.806 176.300 0.381 0.000 1.142 448 R CA 2.294 58.569 56.100 0.291 0.000 0.953 448 R CB -1.348 29.022 30.300 0.117 0.000 0.860 448 R HN 0.180 nan 8.270 nan 0.000 0.438 449 G N -0.380 108.618 108.800 0.329 0.000 2.404 449 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.215 449 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.215 449 G C 1.030 176.041 174.900 0.186 0.000 1.174 449 G CA 0.701 45.976 45.100 0.291 0.000 0.780 449 G HN 0.485 nan 8.290 nan 0.000 0.537 450 W N -0.157 121.326 121.300 0.305 0.000 2.355 450 W HA 0.076 4.733 4.660 -0.005 0.000 0.309 450 W C 2.242 178.958 176.519 0.328 0.000 1.206 450 W CA 0.492 57.989 57.345 0.254 0.000 1.284 450 W CB -0.555 29.004 29.460 0.164 0.000 1.145 450 W HN 0.160 nan 8.180 nan 0.000 0.502 451 F N 1.232 121.540 119.950 0.597 0.000 2.091 451 F HA -0.316 4.209 4.527 -0.004 0.000 0.299 451 F C 2.331 178.406 175.800 0.458 0.000 1.103 451 F CA 2.435 60.818 58.000 0.638 0.000 1.228 451 F CB -0.729 38.655 39.000 0.641 0.000 0.984 451 F HN -0.300 nan 8.300 nan 0.000 0.477 452 T N 0.684 115.599 114.554 0.601 0.000 2.746 452 T HA -0.238 4.109 4.350 -0.005 0.000 0.267 452 T C 1.581 176.326 174.700 0.074 0.000 1.039 452 T CA 1.647 63.942 62.100 0.325 0.000 1.142 452 T CB -0.735 68.287 68.868 0.256 0.000 0.866 452 T HN 0.419 nan 8.240 nan 0.000 0.444 453 F N 2.329 122.236 119.950 -0.071 0.000 2.113 453 F HA 0.066 4.590 4.527 -0.005 0.000 0.297 453 F C 2.432 178.091 175.800 -0.234 0.000 1.103 453 F CA 0.939 58.823 58.000 -0.193 0.000 1.248 453 F CB -0.888 37.987 39.000 -0.209 0.000 0.999 453 F HN 0.132 nan 8.300 nan 0.000 0.475 454 A N -0.164 122.399 122.820 -0.429 0.000 1.883 454 A HA -0.250 4.067 4.320 -0.005 0.000 0.217 454 A C 1.912 178.915 177.584 -0.968 0.000 1.186 454 A CA 2.189 53.716 52.037 -0.850 0.000 0.624 454 A CB -1.427 17.247 19.000 -0.544 0.000 0.822 454 A HN 0.644 nan 8.150 nan 0.000 0.444 455 H N -0.713 118.056 119.070 -0.502 0.000 2.462 455 H HA 0.244 4.798 4.556 -0.004 0.000 0.292 455 H C 2.320 177.407 175.328 -0.401 0.000 1.049 455 H CA 1.077 56.901 56.048 -0.375 0.000 1.334 455 H CB -0.117 29.415 29.762 -0.383 0.000 1.404 455 H HN 0.521 nan 8.280 nan 0.000 0.544 456 A N 0.323 122.946 122.820 -0.328 0.000 1.969 456 A HA -0.091 4.226 4.320 -0.005 0.000 0.218 456 A C 2.401 179.710 177.584 -0.459 0.000 1.169 456 A CA 1.372 53.193 52.037 -0.360 0.000 0.635 456 A CB -0.589 18.281 19.000 -0.217 0.000 0.810 456 A HN 0.235 nan 8.150 nan 0.000 0.445 457 V N -1.067 118.494 119.914 -0.589 0.000 2.255 457 V HA -0.159 3.958 4.120 -0.005 0.000 0.243 457 V C 2.249 178.136 176.094 -0.345 0.000 1.038 457 V CA 1.793 63.770 62.300 -0.539 0.000 1.008 457 V CB -1.084 30.241 31.823 -0.829 0.000 0.645 457 V HN 0.504 nan 8.190 nan 0.000 0.449 458 F N 1.267 121.003 119.950 -0.357 0.000 2.087 458 F HA -0.287 4.238 4.527 -0.005 0.000 0.299 458 F C 2.490 178.196 175.800 -0.158 0.000 1.100 458 F CA 1.484 59.348 58.000 -0.226 0.000 1.226 458 F CB -1.581 37.183 39.000 -0.393 0.000 0.983 458 F HN 0.119 nan 8.300 nan 0.000 0.479 459 A N 0.060 122.773 122.820 -0.178 0.000 1.859 459 A HA -0.217 4.100 4.320 -0.005 0.000 0.217 459 A C 2.183 179.640 177.584 -0.212 0.000 1.198 459 A CA 1.873 53.717 52.037 -0.321 0.000 0.629 459 A CB -1.341 17.066 19.000 -0.990 0.000 0.830 459 A HN 0.340 nan 8.150 nan 0.000 0.446 460 L N -0.522 120.514 121.223 -0.311 0.000 2.187 460 L HA -0.101 4.236 4.340 -0.005 0.000 0.213 460 L C 2.192 179.126 176.870 0.106 0.000 1.100 460 L CA 1.485 56.329 54.840 0.007 0.000 0.765 460 L CB -0.406 41.672 42.059 0.033 0.000 0.904 460 L HN 0.435 nan 8.230 nan 0.000 0.437 461 L N -2.360 118.941 121.223 0.130 0.000 2.095 461 L HA -0.152 4.185 4.340 -0.005 0.000 0.204 461 L C 2.305 179.356 176.870 0.301 0.000 1.080 461 L CA 1.013 55.974 54.840 0.201 0.000 0.759 461 L CB -0.367 41.816 42.059 0.206 0.000 0.914 461 L HN 0.194 nan 8.230 nan 0.000 0.439 462 F N -0.801 119.222 119.950 0.121 0.000 2.216 462 F HA -0.295 4.229 4.527 -0.005 0.000 0.300 462 F C 2.354 178.255 175.800 0.168 0.000 1.085 462 F CA 1.268 59.374 58.000 0.177 0.000 1.326 462 F CB -0.265 38.864 39.000 0.216 0.000 1.027 462 F HN 0.031 nan 8.300 nan 0.000 0.497 463 F N 0.125 120.020 119.950 -0.091 0.000 2.091 463 F HA -0.355 4.169 4.527 -0.005 0.000 0.299 463 F C 2.214 178.053 175.800 0.064 0.000 1.103 463 F CA 1.723 59.527 58.000 -0.327 0.000 1.228 463 F CB -0.908 37.843 39.000 -0.415 0.000 0.984 463 F HN 0.009 nan 8.300 nan 0.000 0.477 464 F N 1.241 121.355 119.950 0.273 0.000 2.202 464 F HA -0.067 4.458 4.527 -0.004 0.000 0.301 464 F C 2.289 178.093 175.800 0.007 0.000 1.082 464 F CA 1.727 59.811 58.000 0.139 0.000 1.313 464 F CB -0.972 38.099 39.000 0.118 0.000 1.024 464 F HN 0.050 nan 8.300 nan 0.000 0.495 465 G N -1.360 107.512 108.800 0.120 0.000 2.402 465 G HA2 -0.332 3.626 3.960 -0.005 0.000 0.216 465 G HA3 -0.332 3.626 3.960 -0.005 0.000 0.216 465 G C 1.402 176.349 174.900 0.079 0.000 1.162 465 G CA 1.059 46.195 45.100 0.061 0.000 0.777 465 G HN 0.520 nan 8.290 nan 0.000 0.539 466 H N 0.783 119.849 119.070 -0.006 0.000 2.253 466 H HA -0.052 4.501 4.556 -0.005 0.000 0.296 466 H C 2.416 177.648 175.328 -0.159 0.000 1.074 466 H CA 1.608 57.656 56.048 0.001 0.000 1.263 466 H CB -0.431 29.392 29.762 0.102 0.000 1.363 466 H HN 0.187 nan 8.280 nan 0.000 0.489 467 I N 0.554 120.785 120.570 -0.566 0.000 2.248 467 I HA -0.294 3.874 4.170 -0.005 0.000 0.248 467 I C 2.558 178.405 176.117 -0.450 0.000 1.107 467 I CA 1.402 62.330 61.300 -0.620 0.000 1.373 467 I CB -0.864 36.752 38.000 -0.639 0.000 1.055 467 I HN 0.563 nan 8.210 nan 0.000 0.418 468 W N 0.624 121.547 121.300 -0.628 0.000 2.413 468 W HA -0.196 4.462 4.660 -0.004 0.000 0.315 468 W C 2.584 178.886 176.519 -0.361 0.000 1.186 468 W CA 1.455 58.476 57.345 -0.540 0.000 1.326 468 W CB -0.680 28.420 29.460 -0.601 0.000 1.153 468 W HN 0.186 nan 8.180 nan 0.000 0.489 469 H N 0.062 119.008 119.070 -0.208 0.000 2.387 469 H HA -0.091 4.463 4.556 -0.004 0.000 0.299 469 H C 2.463 177.605 175.328 -0.311 0.000 1.090 469 H CA 1.798 57.681 56.048 -0.276 0.000 1.332 469 H CB -1.099 28.642 29.762 -0.036 0.000 1.386 469 H HN 0.287 nan 8.280 nan 0.000 0.516 470 G N 0.548 109.236 108.800 -0.186 0.000 2.459 470 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.217 470 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.217 470 G C 2.034 176.820 174.900 -0.190 0.000 1.183 470 G CA 1.602 46.573 45.100 -0.215 0.000 0.776 470 G HN 0.521 nan 8.290 nan 0.000 0.552 471 A N 0.635 123.306 122.820 -0.247 0.000 1.892 471 A HA -0.131 4.186 4.320 -0.005 0.000 0.218 471 A C 2.325 179.824 177.584 -0.142 0.000 1.188 471 A CA 2.025 53.973 52.037 -0.149 0.000 0.631 471 A CB -0.530 18.260 19.000 -0.351 0.000 0.822 471 A HN 0.365 nan 8.150 nan 0.000 0.447 472 R N -1.079 119.149 120.500 -0.453 0.000 2.341 472 R HA -0.074 4.264 4.340 -0.005 0.000 0.213 472 R C 1.405 177.518 176.300 -0.310 0.000 1.082 472 R CA 1.532 57.318 56.100 -0.524 0.000 1.017 472 R CB -0.236 29.562 30.300 -0.837 0.000 0.860 472 R HN 0.559 nan 8.270 nan 0.000 0.473 473 T N -0.058 114.382 114.554 -0.190 0.000 3.021 473 T HA 0.115 4.462 4.350 -0.005 0.000 0.245 473 T C 1.431 176.055 174.700 -0.127 0.000 1.028 473 T CA 0.325 62.335 62.100 -0.150 0.000 1.139 473 T CB 0.210 68.999 68.868 -0.132 0.000 0.884 473 T HN 0.143 nan 8.240 nan 0.000 0.457 474 L N -0.184 120.979 121.223 -0.100 0.000 2.492 474 L HA 0.248 4.586 4.340 -0.005 0.000 0.223 474 L C 0.634 177.239 176.870 -0.442 0.000 1.132 474 L CA 0.971 55.665 54.840 -0.244 0.000 0.850 474 L CB -0.155 41.740 42.059 -0.273 0.000 0.966 474 L HN 0.255 nan 8.230 nan 0.000 0.454 475 F N -1.564 118.305 119.950 -0.135 0.000 2.791 475 F HA 0.262 4.787 4.527 -0.004 0.000 0.316 475 F C 1.956 177.712 175.800 -0.073 0.000 1.134 475 F CA -0.364 57.584 58.000 -0.088 0.000 1.222 475 F CB 0.000 38.953 39.000 -0.079 0.000 1.034 475 F HN -0.192 nan 8.300 nan 0.000 0.516 476 R N 1.490 121.989 120.500 -0.001 0.000 2.103 476 R HA -0.208 4.129 4.340 -0.005 0.000 0.242 476 R C 2.107 178.452 176.300 0.075 0.000 1.142 476 R CA 2.449 58.526 56.100 -0.038 0.000 0.960 476 R CB -0.403 29.843 30.300 -0.091 0.000 0.858 476 R HN 0.447 nan 8.270 nan 0.000 0.439 477 D N 0.072 120.500 120.400 0.046 0.000 2.106 477 D HA -0.157 4.481 4.640 -0.005 0.000 0.191 477 D C 1.659 178.023 176.300 0.107 0.000 0.997 477 D CA 1.951 55.985 54.000 0.058 0.000 0.834 477 D CB -0.641 40.167 40.800 0.014 0.000 0.956 477 D HN 0.315 nan 8.370 nan 0.000 0.448 478 V N -2.711 117.290 119.914 0.145 0.000 3.510 478 V HA 0.146 4.263 4.120 -0.005 0.000 0.270 478 V C 1.091 177.297 176.094 0.186 0.000 1.201 478 V CA -0.458 61.936 62.300 0.156 0.000 1.166 478 V CB -1.711 30.228 31.823 0.194 0.000 0.825 478 V HN -0.066 nan 8.190 nan 0.000 0.484 479 F N 1.823 121.792 119.950 0.031 0.000 2.535 479 F HA 0.418 4.943 4.527 -0.004 0.000 0.332 479 F C 1.686 177.491 175.800 0.008 0.000 1.208 479 F CA 0.938 58.941 58.000 0.004 0.000 1.330 479 F CB 0.821 39.815 39.000 -0.011 0.000 1.167 479 F HN 0.312 nan 8.300 nan 0.000 0.597 480 S N -0.274 115.163 115.700 -0.437 0.000 2.450 480 S HA -0.111 4.357 4.470 -0.005 0.000 0.248 480 S C 0.221 174.731 174.600 -0.149 0.000 1.240 480 S CA 1.055 59.092 58.200 -0.272 0.000 1.532 480 S CB -2.161 60.995 63.200 -0.074 0.000 1.941 480 S HN 1.991 nan 8.310 nan 0.000 0.623 481 G N 0.236 108.982 108.800 -0.091 0.000 2.359 481 G HA2 0.419 4.376 3.960 -0.005 0.000 0.303 481 G HA3 0.419 4.376 3.960 -0.005 0.000 0.303 481 G C -0.682 174.217 174.900 -0.002 0.000 1.293 481 G CA -0.297 44.775 45.100 -0.047 0.000 0.964 481 G HN 1.249 nan 8.290 nan 0.000 0.531 482 I N -3.842 116.729 120.570 0.001 0.000 3.786 482 I HA 1.024 5.191 4.170 -0.005 0.000 0.267 482 I C -0.900 175.223 176.117 0.010 0.000 1.209 482 I CA -0.956 60.353 61.300 0.015 0.000 1.157 482 I CB 2.461 40.472 38.000 0.019 0.000 1.399 482 I HN 0.538 nan 8.210 nan 0.000 0.502 483 D N -0.538 119.869 120.400 0.012 0.000 2.783 483 D HA 0.397 5.034 4.640 -0.005 0.000 0.253 483 D C -2.549 173.756 176.300 0.008 0.000 1.206 483 D CA 0.117 54.121 54.000 0.008 0.000 0.740 483 D CB 0.905 41.710 40.800 0.008 0.000 1.313 483 D HN 0.642 nan 8.370 nan 0.000 0.427 484 P HA -0.128 nan 4.420 nan 0.000 0.299 484 P C -0.262 177.042 177.300 0.006 0.000 1.967 484 P CA 1.458 64.561 63.100 0.005 0.000 1.762 484 P CB 0.024 31.726 31.700 0.004 0.000 0.244 485 E N -2.364 117.839 120.200 0.005 0.000 9.214 485 E HA -0.194 4.154 4.350 -0.005 0.000 0.465 485 E C -1.346 175.257 176.600 0.005 0.000 1.407 485 E CA 0.356 56.759 56.400 0.005 0.000 2.446 485 E CB -1.049 28.654 29.700 0.005 0.000 1.031 485 E HN 0.553 nan 8.360 nan 0.000 0.329 486 L N 2.518 123.744 121.223 0.005 0.000 2.400 486 L HA 0.241 4.579 4.340 -0.005 0.000 0.261 486 L C 0.501 177.374 176.870 0.005 0.000 1.554 486 L CA 0.491 55.334 54.840 0.005 0.000 0.774 486 L CB 0.147 42.208 42.059 0.004 0.000 0.964 486 L HN 0.840 nan 8.230 nan 0.000 0.524 487 S N 1.265 116.969 115.700 0.006 0.000 2.355 487 S HA 0.275 4.742 4.470 -0.005 0.000 0.216 487 S C -0.513 174.091 174.600 0.006 0.000 1.037 487 S CA 0.783 58.986 58.200 0.006 0.000 0.955 487 S CB -0.756 62.448 63.200 0.006 0.000 0.877 487 S HN 0.475 nan 8.310 nan 0.000 0.488 488 P HA -0.244 nan 4.420 nan 0.000 0.274 488 P C -0.200 177.104 177.300 0.007 0.000 0.809 488 P CA 2.131 65.236 63.100 0.008 0.000 1.024 488 P CB -0.507 31.198 31.700 0.008 0.000 0.888 489 E N 1.371 121.575 120.200 0.006 0.000 2.773 489 E HA 0.019 4.366 4.350 -0.005 0.000 0.302 489 E C 0.152 176.755 176.600 0.005 0.000 1.574 489 E CA 0.534 56.938 56.400 0.006 0.000 1.775 489 E CB -1.074 28.629 29.700 0.005 0.000 1.413 489 E HN 0.543 nan 8.360 nan 0.000 0.471 490 Q N -2.006 117.796 119.800 0.004 0.000 2.643 490 Q HA 0.242 4.579 4.340 -0.005 0.000 0.225 490 Q C -0.458 175.544 176.000 0.003 0.000 0.786 490 Q CA -0.409 55.396 55.803 0.004 0.000 0.953 490 Q CB 0.291 29.031 28.738 0.003 0.000 1.517 490 Q HN -0.036 nan 8.270 nan 0.000 0.457 491 V N 0.000 119.916 119.914 0.003 0.000 2.409 491 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 491 V CA 0.000 62.302 62.300 0.003 0.000 1.235 491 V CB 0.000 31.824 31.823 0.002 0.000 1.184 491 V HN 0.000 nan 8.190 nan 0.000 0.556