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 3e6g_1_D DATA FIRST_RESID 14 DATA SEQUENCE ALSLATLAIH GXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXTHN DATA SEQUENCE PTRFAYERCV AALEGGTRAF AFASGMAATS TVMELLDAGS HVVAMDDLYG DATA SEQUENCE GTFRLFERVR RRTAGLDFSF VDLTDPAAFK AAIRADTKMV WIETPTNPML DATA SEQUENCE KLVDIAAIAV IARKHGLLTV VDNTFASPML QRPLSLGADL VVHSATKYLN DATA SEQUENCE GHSDMVGGIA VVGDNAELAE QMAFLQNSIG GVQGPFDSFL ALRGLKTLPL DATA SEQUENCE RMRAHCENAL ALAQWLETHP AIEKVIYPGL ASHPQHVLAK RQMSGFGGIV DATA SEQUENCE SIVLKGGFDA AKRFCEKTEL FTLAESLGGV ESLVNHPAVM TXXXXXXXXR DATA SEQUENCE EQLGISDALV RLSVGIEDLG DLRGDLERA 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.577 177.584 -0.011 0.000 1.274 14 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 14 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 15 L N 1.614 122.830 121.223 -0.011 0.000 2.418 15 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 15 L C 1.084 177.953 176.870 -0.003 0.000 1.143 15 L CA -0.489 54.346 54.840 -0.009 0.000 0.809 15 L CB 1.337 43.391 42.059 -0.009 0.000 1.124 15 L HN 0.726 nan 8.230 nan 0.000 0.456 16 S N 0.803 116.502 115.700 -0.000 0.000 2.603 16 S HA 0.235 4.705 4.470 -0.000 0.000 0.268 16 S C 1.345 175.950 174.600 0.008 0.000 1.317 16 S CA -0.672 57.529 58.200 0.002 0.000 1.012 16 S CB 0.974 64.175 63.200 0.001 0.000 0.926 16 S HN 0.452 nan 8.310 nan 0.000 0.539 17 L N 1.498 122.722 121.223 0.003 0.000 2.042 17 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 17 L C 2.677 179.554 176.870 0.012 0.000 1.076 17 L CA 1.547 56.390 54.840 0.005 0.000 0.749 17 L CB -0.863 41.194 42.059 -0.004 0.000 0.893 17 L HN 0.839 nan 8.230 nan 0.000 0.432 18 A N -0.845 121.981 122.820 0.009 0.000 2.084 18 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 18 A C 2.307 179.912 177.584 0.035 0.000 1.161 18 A CA 2.402 54.448 52.037 0.014 0.000 0.653 18 A CB -0.629 18.376 19.000 0.008 0.000 0.802 18 A HN 0.428 nan 8.150 nan 0.000 0.457 19 T N -0.917 113.667 114.554 0.050 0.000 3.033 19 T HA 0.189 4.539 4.350 -0.000 0.000 0.248 19 T C 1.755 176.539 174.700 0.140 0.000 1.040 19 T CA 0.518 62.679 62.100 0.102 0.000 1.133 19 T CB -0.164 68.741 68.868 0.062 0.000 0.895 19 T HN 0.318 nan 8.240 nan 0.000 0.465 20 L N 1.297 122.567 121.223 0.079 0.000 1.994 20 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 20 L C 3.005 179.908 176.870 0.055 0.000 1.071 20 L CA 1.321 56.203 54.840 0.071 0.000 0.745 20 L CB -0.649 41.431 42.059 0.036 0.000 0.892 20 L HN 0.235 nan 8.230 nan 0.000 0.431 21 A N -0.171 122.667 122.820 0.031 0.000 2.104 21 A HA -0.253 4.067 4.320 -0.000 0.000 0.223 21 A C 2.079 179.654 177.584 -0.014 0.000 1.164 21 A CA 2.103 54.146 52.037 0.011 0.000 0.659 21 A CB -0.693 18.311 19.000 0.007 0.000 0.808 21 A HN 0.488 nan 8.150 nan 0.000 0.465 22 I N -3.103 117.450 120.570 -0.028 0.000 3.172 22 I HA 0.033 4.203 4.170 -0.000 0.000 0.278 22 I C 1.872 177.824 176.117 -0.276 0.000 1.174 22 I CA 0.582 61.781 61.300 -0.168 0.000 1.445 22 I CB -0.000 37.863 38.000 -0.228 0.000 1.175 22 I HN 0.330 nan 8.210 nan 0.000 0.447 23 H N -0.146 118.927 119.070 0.004 0.000 2.827 23 H HA 0.337 4.893 4.556 -0.000 0.000 0.269 23 H C 1.135 176.466 175.328 0.005 0.000 1.031 23 H CA 0.269 56.320 56.048 0.005 0.000 1.202 23 H CB 0.434 30.198 29.762 0.002 0.000 1.511 23 H HN 0.220 nan 8.280 nan 0.000 0.517 62 H N 1.238 120.353 119.070 0.076 0.000 4.409 62 H HA -0.113 4.443 4.556 -0.000 0.000 0.326 62 H C -1.034 174.154 175.328 -0.232 0.000 0.765 62 H CA 1.036 57.125 56.048 0.069 0.000 0.927 62 H CB -1.028 28.829 29.762 0.157 0.000 1.163 62 H HN 0.622 nan 8.280 nan 0.000 0.335 63 N N 6.395 124.459 118.700 -1.060 0.000 2.812 63 N HA 0.183 4.923 4.740 -0.000 0.000 0.262 63 N C -2.411 172.475 175.510 -1.040 0.000 1.241 63 N CA -1.189 51.355 53.050 -0.845 0.000 0.854 63 N CB 1.330 39.466 38.487 -0.586 0.000 1.506 63 N HN 0.119 nan 8.380 nan 0.000 0.576 64 P HA -0.160 nan 4.420 nan 0.000 0.217 64 P C 0.953 178.162 177.300 -0.153 0.000 1.151 64 P CA 1.577 64.542 63.100 -0.225 0.000 0.849 64 P CB 0.268 31.906 31.700 -0.103 0.000 0.787 65 T N -1.109 113.329 114.554 -0.194 0.000 2.737 65 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 65 T C 1.869 176.543 174.700 -0.043 0.000 1.038 65 T CA 1.056 63.107 62.100 -0.082 0.000 1.144 65 T CB -0.526 68.286 68.868 -0.094 0.000 0.866 65 T HN 0.101 nan 8.240 nan 0.000 0.434 66 R N -0.046 120.356 120.500 -0.164 0.000 2.096 66 R HA -0.121 4.219 4.340 -0.000 0.000 0.240 66 R C 2.142 178.440 176.300 -0.003 0.000 1.139 66 R CA 1.616 57.662 56.100 -0.089 0.000 0.952 66 R CB -0.391 29.750 30.300 -0.266 0.000 0.854 66 R HN 0.299 nan 8.270 nan 0.000 0.436 67 F N 0.305 120.223 119.950 -0.054 0.000 2.102 67 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 67 F C 2.532 178.302 175.800 -0.051 0.000 1.105 67 F CA 0.917 58.869 58.000 -0.081 0.000 1.239 67 F CB -1.252 37.691 39.000 -0.094 0.000 0.991 67 F HN 0.139 nan 8.300 nan 0.000 0.474 68 A N -0.500 122.426 122.820 0.176 0.000 1.892 68 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 68 A C 2.186 179.847 177.584 0.127 0.000 1.188 68 A CA 1.983 54.094 52.037 0.123 0.000 0.631 68 A CB -1.622 17.441 19.000 0.104 0.000 0.822 68 A HN 0.489 nan 8.150 nan 0.000 0.447 69 Y N 0.820 121.124 120.300 0.007 0.000 2.242 69 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 69 Y C 2.048 177.938 175.900 -0.017 0.000 1.137 69 Y CA 1.932 60.024 58.100 -0.013 0.000 1.181 69 Y CB -0.559 37.888 38.460 -0.021 0.000 0.989 69 Y HN 0.483 nan 8.280 nan 0.000 0.527 70 E N -0.057 119.995 120.200 -0.247 0.000 2.110 70 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 70 E C 2.315 178.782 176.600 -0.222 0.000 0.988 70 E CA 1.156 57.349 56.400 -0.345 0.000 0.804 70 E CB -0.115 29.434 29.700 -0.252 0.000 0.745 70 E HN 0.441 nan 8.360 nan 0.000 0.458 71 R N -0.042 120.391 120.500 -0.111 0.000 2.075 71 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 71 R C 2.530 178.788 176.300 -0.070 0.000 1.126 71 R CA 1.134 57.183 56.100 -0.086 0.000 0.963 71 R CB -0.598 29.680 30.300 -0.037 0.000 0.858 71 R HN 0.285 nan 8.270 nan 0.000 0.435 72 C N 0.308 119.580 119.300 -0.047 0.000 2.453 72 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 72 C C 2.643 177.610 174.990 -0.039 0.000 1.262 72 C CA 0.651 59.660 59.018 -0.014 0.000 1.718 72 C CB -0.689 27.074 27.740 0.039 0.000 2.031 72 C HN 0.271 nan 8.230 nan 0.000 0.480 73 V N 1.679 121.536 119.914 -0.096 0.000 2.343 73 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 73 V C 2.845 178.896 176.094 -0.072 0.000 1.051 73 V CA 2.209 64.446 62.300 -0.105 0.000 1.036 73 V CB -1.399 30.301 31.823 -0.205 0.000 0.654 73 V HN 0.681 nan 8.190 nan 0.000 0.451 74 A N 0.146 122.910 122.820 -0.093 0.000 1.898 74 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 74 A C 2.462 180.024 177.584 -0.037 0.000 1.181 74 A CA 1.964 53.962 52.037 -0.066 0.000 0.620 74 A CB -0.847 18.090 19.000 -0.105 0.000 0.819 74 A HN 0.567 nan 8.150 nan 0.000 0.442 75 A N -0.282 122.516 122.820 -0.037 0.000 1.948 75 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 75 A C 2.162 179.741 177.584 -0.008 0.000 1.177 75 A CA 1.612 53.639 52.037 -0.017 0.000 0.636 75 A CB -0.603 18.392 19.000 -0.009 0.000 0.815 75 A HN 0.485 nan 8.150 nan 0.000 0.449 76 L N -0.852 120.365 121.223 -0.010 0.000 2.141 76 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 76 L C 2.055 178.930 176.870 0.007 0.000 1.094 76 L CA 0.933 55.772 54.840 -0.003 0.000 0.763 76 L CB -0.317 41.736 42.059 -0.010 0.000 0.908 76 L HN 0.340 nan 8.230 nan 0.000 0.437 77 E N -0.434 119.775 120.200 0.015 0.000 2.489 77 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 77 E C 1.574 178.186 176.600 0.020 0.000 1.057 77 E CA 0.708 57.130 56.400 0.037 0.000 0.866 77 E CB 0.504 30.247 29.700 0.071 0.000 0.916 77 E HN 0.511 nan 8.360 nan 0.000 0.500 78 G N 0.882 109.687 108.800 0.008 0.000 2.900 78 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.223 78 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.223 78 G C 0.912 175.812 174.900 0.001 0.000 1.293 78 G CA 0.370 45.472 45.100 0.004 0.000 0.792 78 G HN 0.625 nan 8.290 nan 0.000 0.527 79 G N -0.217 108.587 108.800 0.006 0.000 3.597 79 G HA2 0.297 4.257 3.960 -0.000 0.000 0.243 79 G HA3 0.297 4.257 3.960 -0.000 0.000 0.243 79 G C 1.325 176.218 174.900 -0.012 0.000 1.275 79 G CA 2.076 47.178 45.100 0.004 0.000 0.878 79 G HN 1.832 nan 8.290 nan 0.000 0.611 80 T N -2.650 111.896 114.554 -0.014 0.000 3.018 80 T HA 0.303 4.653 4.350 -0.000 0.000 0.246 80 T C 1.046 175.703 174.700 -0.071 0.000 1.026 80 T CA 0.275 62.357 62.100 -0.029 0.000 1.081 80 T CB 0.400 69.262 68.868 -0.010 0.000 0.970 80 T HN 0.541 nan 8.240 nan 0.000 0.475 81 R N 0.097 120.541 120.500 -0.093 0.000 2.698 81 R HA 0.791 5.131 4.340 -0.000 0.000 0.275 81 R C -1.545 174.551 176.300 -0.339 0.000 1.001 81 R CA -0.678 55.273 56.100 -0.248 0.000 0.896 81 R CB 2.395 32.525 30.300 -0.284 0.000 1.218 81 R HN 0.364 nan 8.270 nan 0.000 0.462 82 A N 1.942 124.437 122.820 -0.542 0.000 2.430 82 A HA 0.892 5.212 4.320 -0.000 0.000 0.300 82 A C -1.497 175.586 177.584 -0.836 0.000 1.124 82 A CA -0.564 51.198 52.037 -0.459 0.000 0.766 82 A CB 1.070 19.920 19.000 -0.250 0.000 1.328 82 A HN 0.490 nan 8.150 nan 0.000 0.424 83 F N -0.219 119.698 119.950 -0.055 0.000 2.569 83 F HA 0.659 5.186 4.527 0.000 0.000 0.312 83 F C 0.461 176.039 175.800 -0.371 0.000 1.109 83 F CA -0.506 57.367 58.000 -0.211 0.000 0.919 83 F CB 2.266 41.150 39.000 -0.194 0.000 1.211 83 F HN 0.715 nan 8.300 nan 0.000 0.446 84 A N 3.115 125.751 122.820 -0.306 0.000 2.305 84 A HA 0.852 5.172 4.320 -0.000 0.000 0.322 84 A C -1.421 175.910 177.584 -0.422 0.000 1.187 84 A CA -0.316 51.595 52.037 -0.209 0.000 0.825 84 A CB 0.306 19.308 19.000 0.004 0.000 1.164 84 A HN 0.581 nan 8.150 nan 0.000 0.498 85 F N 0.581 120.641 119.950 0.184 0.000 2.579 85 F HA 0.565 5.092 4.527 0.000 0.000 0.324 85 F C 1.355 177.239 175.800 0.139 0.000 1.058 85 F CA -0.038 58.052 58.000 0.150 0.000 0.944 85 F CB 2.025 41.111 39.000 0.144 0.000 1.245 85 F HN 0.634 nan 8.300 nan 0.000 0.477 86 A N 0.710 123.720 122.820 0.317 0.000 2.076 86 A HA 0.110 4.430 4.320 -0.000 0.000 0.220 86 A C 0.527 178.223 177.584 0.187 0.000 1.160 86 A CA 1.663 53.821 52.037 0.201 0.000 0.653 86 A CB -0.660 18.436 19.000 0.160 0.000 0.801 86 A HN 0.729 nan 8.150 nan 0.000 0.455 87 S N -4.795 111.036 115.700 0.219 0.000 2.547 87 S HA 0.517 4.987 4.470 -0.000 0.000 0.270 87 S C 0.956 175.677 174.600 0.202 0.000 1.150 87 S CA 0.015 58.323 58.200 0.180 0.000 0.850 87 S CB 0.904 64.183 63.200 0.132 0.000 1.118 87 S HN 0.910 nan 8.310 nan 0.000 0.461 88 G N 1.735 110.651 108.800 0.193 0.000 2.649 88 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 88 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 88 G C 1.254 176.246 174.900 0.155 0.000 1.189 88 G CA 1.676 46.893 45.100 0.195 0.000 0.777 88 G HN 0.629 nan 8.290 nan 0.000 0.602 89 M N 1.008 120.686 119.600 0.130 0.000 2.149 89 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 89 M C 2.973 179.277 176.300 0.007 0.000 1.064 89 M CA 1.388 56.724 55.300 0.060 0.000 1.102 89 M CB -1.276 31.345 32.600 0.034 0.000 1.369 89 M HN 0.365 nan 8.290 nan 0.000 0.408 90 A N -0.309 122.525 122.820 0.024 0.000 2.014 90 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 90 A C 2.411 179.794 177.584 -0.335 0.000 1.163 90 A CA 1.575 53.583 52.037 -0.049 0.000 0.652 90 A CB -0.707 18.345 19.000 0.086 0.000 0.808 90 A HN 0.455 nan 8.150 nan 0.000 0.449 91 A N -0.419 122.224 122.820 -0.295 0.000 1.841 91 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 91 A C 2.309 179.720 177.584 -0.287 0.000 1.199 91 A CA 2.491 54.199 52.037 -0.548 0.000 0.621 91 A CB -1.574 17.459 19.000 0.055 0.000 0.835 91 A HN 0.401 nan 8.150 nan 0.000 0.445 92 T N 0.486 115.047 114.554 0.012 0.000 2.536 92 T HA -0.219 4.131 4.350 -0.000 0.000 0.263 92 T C 2.163 176.877 174.700 0.023 0.000 1.115 92 T CA 2.189 64.377 62.100 0.146 0.000 1.180 92 T CB -0.730 68.163 68.868 0.043 0.000 0.864 92 T HN 0.509 nan 8.240 nan 0.000 0.419 93 S N 0.791 116.459 115.700 -0.053 0.000 2.414 93 S HA -0.215 4.255 4.470 -0.000 0.000 0.241 93 S C 2.229 176.782 174.600 -0.078 0.000 1.079 93 S CA 2.015 60.183 58.200 -0.053 0.000 1.087 93 S CB -0.816 62.343 63.200 -0.068 0.000 0.927 93 S HN 0.618 nan 8.310 nan 0.000 0.456 94 T N 1.324 115.753 114.554 -0.208 0.000 2.937 94 T HA 0.012 4.362 4.350 -0.000 0.000 0.260 94 T C 2.117 176.764 174.700 -0.089 0.000 1.051 94 T CA 1.039 63.018 62.100 -0.202 0.000 1.141 94 T CB -0.351 68.279 68.868 -0.397 0.000 0.879 94 T HN 0.456 nan 8.240 nan 0.000 0.459 95 V N 0.358 120.241 119.914 -0.052 0.000 2.407 95 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 95 V C 2.222 178.384 176.094 0.113 0.000 1.055 95 V CA 1.331 63.674 62.300 0.071 0.000 1.049 95 V CB -0.914 31.002 31.823 0.155 0.000 0.662 95 V HN 0.237 nan 8.190 nan 0.000 0.455 96 M N 0.633 120.311 119.600 0.131 0.000 2.346 96 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 96 M C 2.043 178.377 176.300 0.056 0.000 1.064 96 M CA 1.310 56.677 55.300 0.112 0.000 1.083 96 M CB -1.409 31.259 32.600 0.112 0.000 1.399 96 M HN 0.599 nan 8.290 nan 0.000 0.435 97 E N -0.636 119.590 120.200 0.042 0.000 2.481 97 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 97 E C 1.741 178.368 176.600 0.045 0.000 1.047 97 E CA -0.007 56.414 56.400 0.036 0.000 0.867 97 E CB 0.023 29.741 29.700 0.030 0.000 0.858 97 E HN 0.235 nan 8.360 nan 0.000 0.513 98 L N 0.985 122.238 121.223 0.050 0.000 2.051 98 L HA -0.160 4.179 4.340 -0.000 0.000 0.214 98 L C 1.100 177.991 176.870 0.034 0.000 1.076 98 L CA 1.520 56.389 54.840 0.049 0.000 0.758 98 L CB -0.824 41.269 42.059 0.056 0.000 0.890 98 L HN 0.138 nan 8.230 nan 0.000 0.433 99 L N 0.522 121.758 121.223 0.023 0.000 2.416 99 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 99 L C 0.247 177.114 176.870 -0.006 0.000 1.161 99 L CA -0.710 54.128 54.840 -0.003 0.000 0.845 99 L CB -0.072 41.967 42.059 -0.034 0.000 1.119 99 L HN 0.057 nan 8.230 nan 0.000 0.464 100 D N 1.623 122.016 120.400 -0.010 0.000 2.419 100 D HA 0.196 4.836 4.640 -0.000 0.000 0.236 100 D C 0.371 176.654 176.300 -0.028 0.000 1.165 100 D CA 0.191 54.183 54.000 -0.013 0.000 0.882 100 D CB 0.719 41.510 40.800 -0.016 0.000 1.201 100 D HN 0.659 nan 8.370 nan 0.000 0.443 101 A N 0.772 123.578 122.820 -0.023 0.000 2.520 101 A HA 0.448 4.768 4.320 -0.000 0.000 0.235 101 A C 1.584 179.139 177.584 -0.049 0.000 1.065 101 A CA 0.525 52.542 52.037 -0.033 0.000 0.764 101 A CB -0.260 18.728 19.000 -0.020 0.000 1.002 101 A HN 0.943 nan 8.150 nan 0.000 0.502 102 G N 1.070 109.829 108.800 -0.069 0.000 2.267 102 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 102 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 102 G C 0.706 175.547 174.900 -0.098 0.000 0.998 102 G CA 0.545 45.599 45.100 -0.076 0.000 0.620 102 G HN 1.394 nan 8.290 nan 0.000 0.529 103 S N 0.856 116.492 115.700 -0.105 0.000 2.542 103 S HA 0.246 4.716 4.470 -0.000 0.000 0.287 103 S C 0.308 174.804 174.600 -0.173 0.000 1.315 103 S CA 0.325 58.456 58.200 -0.114 0.000 1.037 103 S CB 0.475 63.604 63.200 -0.118 0.000 0.822 103 S HN 0.552 nan 8.310 nan 0.000 0.513 104 H N 0.790 119.726 119.070 -0.223 0.000 2.472 104 H HA 0.616 5.173 4.556 0.000 0.000 0.338 104 H C -1.347 173.825 175.328 -0.260 0.000 1.133 104 H CA -0.587 55.294 56.048 -0.278 0.000 1.216 104 H CB 0.967 30.617 29.762 -0.187 0.000 1.497 104 H HN 0.330 nan 8.280 nan 0.000 0.500 105 V N 5.378 124.655 119.914 -1.061 0.000 2.760 105 V HA 0.244 4.364 4.120 -0.000 0.000 0.309 105 V C -0.380 175.326 176.094 -0.647 0.000 1.077 105 V CA -0.851 61.050 62.300 -0.665 0.000 0.910 105 V CB 1.902 33.408 31.823 -0.530 0.000 1.008 105 V HN 0.516 nan 8.190 nan 0.000 0.424 106 V N 2.560 122.320 119.914 -0.257 0.000 2.630 106 V HA 0.982 5.102 4.120 -0.000 0.000 0.305 106 V C 0.289 176.395 176.094 0.019 0.000 1.046 106 V CA -0.255 61.996 62.300 -0.083 0.000 0.934 106 V CB 1.641 33.573 31.823 0.181 0.000 1.003 106 V HN 1.153 nan 8.190 nan 0.000 0.451 107 A N 3.515 126.353 122.820 0.029 0.000 2.566 107 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 107 A C -0.815 176.938 177.584 0.283 0.000 1.112 107 A CA -0.845 51.320 52.037 0.213 0.000 0.707 107 A CB 1.609 20.767 19.000 0.264 0.000 1.302 107 A HN 0.812 nan 8.150 nan 0.000 0.409 108 M N 1.655 121.444 119.600 0.315 0.000 2.219 108 M HA 0.218 4.698 4.480 -0.000 0.000 0.353 108 M C 0.835 177.321 176.300 0.310 0.000 1.304 108 M CA 0.018 55.466 55.300 0.246 0.000 1.115 108 M CB 0.163 32.875 32.600 0.186 0.000 1.664 108 M HN 0.802 nan 8.290 nan 0.000 0.459 109 D N 1.849 122.392 120.400 0.237 0.000 2.084 109 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 109 D C 0.165 176.499 176.300 0.057 0.000 0.990 109 D CA 1.245 55.350 54.000 0.174 0.000 0.826 109 D CB -0.557 40.319 40.800 0.127 0.000 0.971 109 D HN 0.669 nan 8.370 nan 0.000 0.453 110 D N -0.101 120.328 120.400 0.049 0.000 2.429 110 D HA 0.096 4.736 4.640 -0.000 0.000 0.253 110 D C -1.164 175.160 176.300 0.039 0.000 1.294 110 D CA -0.161 53.848 54.000 0.015 0.000 1.063 110 D CB -0.177 40.639 40.800 0.026 0.000 1.096 110 D HN 0.035 nan 8.370 nan 0.000 0.516 111 L N 5.257 126.482 121.223 0.003 0.000 2.341 111 L HA 0.308 4.648 4.340 -0.000 0.000 0.278 111 L C -1.121 175.766 176.870 0.028 0.000 1.005 111 L CA -1.244 53.632 54.840 0.060 0.000 0.818 111 L CB 1.167 43.302 42.059 0.127 0.000 1.259 111 L HN 0.272 nan 8.230 nan 0.000 0.418 112 Y N 4.312 124.587 120.300 -0.041 0.000 2.834 112 Y HA 0.155 4.705 4.550 0.000 0.000 0.355 112 Y C 1.436 177.305 175.900 -0.051 0.000 1.287 112 Y CA 0.576 58.648 58.100 -0.047 0.000 1.647 112 Y CB 0.582 39.018 38.460 -0.040 0.000 1.221 112 Y HN 0.841 nan 8.280 nan 0.000 0.519 113 G N 4.842 113.447 108.800 -0.325 0.000 2.550 113 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.222 113 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.222 113 G C 1.598 176.206 174.900 -0.487 0.000 1.113 113 G CA 0.958 45.857 45.100 -0.334 0.000 0.748 113 G HN 0.981 nan 8.290 nan 0.000 0.585 114 G N 0.005 108.129 108.800 -1.127 0.000 2.545 114 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 114 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 114 G C 1.922 176.439 174.900 -0.639 0.000 1.218 114 G CA 2.207 46.698 45.100 -1.014 0.000 0.787 114 G HN 0.602 nan 8.290 nan 0.000 0.571 115 T N -1.105 113.073 114.554 -0.626 0.000 2.995 115 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 115 T C 2.024 176.167 174.700 -0.929 0.000 1.091 115 T CA 1.218 62.886 62.100 -0.721 0.000 1.128 115 T CB -0.300 68.141 68.868 -0.712 0.000 0.891 115 T HN 0.194 nan 8.240 nan 0.000 0.492 116 F N 1.840 121.397 119.950 -0.655 0.000 2.095 116 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 116 F C 2.524 178.097 175.800 -0.379 0.000 1.104 116 F CA 1.564 59.284 58.000 -0.468 0.000 1.232 116 F CB -0.226 38.552 39.000 -0.371 0.000 0.987 116 F HN 0.050 nan 8.300 nan 0.000 0.475 117 R N -0.094 120.255 120.500 -0.251 0.000 2.091 117 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 117 R C 2.213 178.331 176.300 -0.303 0.000 1.136 117 R CA 1.715 57.670 56.100 -0.242 0.000 0.959 117 R CB -0.765 29.455 30.300 -0.133 0.000 0.856 117 R HN 0.423 nan 8.270 nan 0.000 0.437 118 L N 0.034 121.051 121.223 -0.343 0.000 2.017 118 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 118 L C 1.759 178.541 176.870 -0.147 0.000 1.073 118 L CA 1.758 56.452 54.840 -0.244 0.000 0.745 118 L CB -0.396 41.490 42.059 -0.288 0.000 0.894 118 L HN 0.008 nan 8.230 nan 0.000 0.432 119 F N 0.418 120.054 119.950 -0.522 0.000 2.051 119 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 119 F C 2.718 178.157 175.800 -0.602 0.000 1.122 119 F CA 1.411 58.912 58.000 -0.832 0.000 1.201 119 F CB -1.202 36.913 39.000 -1.476 0.000 0.978 119 F HN 0.169 nan 8.300 nan 0.000 0.472 120 E N -0.021 119.914 120.200 -0.441 0.000 2.046 120 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 120 E C 2.088 178.600 176.600 -0.146 0.000 0.982 120 E CA 0.910 57.120 56.400 -0.315 0.000 0.800 120 E CB -0.222 29.095 29.700 -0.638 0.000 0.756 120 E HN 0.352 nan 8.360 nan 0.000 0.449 121 R N -0.170 120.229 120.500 -0.167 0.000 2.397 121 R HA 0.142 4.482 4.340 -0.000 0.000 0.241 121 R C 1.387 177.658 176.300 -0.047 0.000 0.914 121 R CA -0.103 55.947 56.100 -0.083 0.000 1.071 121 R CB 0.904 31.157 30.300 -0.077 0.000 1.116 121 R HN -0.042 nan 8.270 nan 0.000 0.524 122 V N -1.154 118.737 119.914 -0.039 0.000 3.279 122 V HA 0.060 4.180 4.120 -0.000 0.000 0.213 122 V C 1.732 177.843 176.094 0.029 0.000 1.335 122 V CA 0.026 62.321 62.300 -0.009 0.000 1.317 122 V CB 0.039 31.850 31.823 -0.020 0.000 1.209 122 V HN 0.021 nan 8.190 nan 0.000 0.525 123 R N 0.543 121.082 120.500 0.066 0.000 2.193 123 R HA 0.109 4.449 4.340 -0.000 0.000 0.213 123 R C 2.257 178.640 176.300 0.137 0.000 1.055 123 R CA 0.582 56.753 56.100 0.118 0.000 0.995 123 R CB -0.306 30.106 30.300 0.187 0.000 0.893 123 R HN 0.447 nan 8.270 nan 0.000 0.459 124 R N 0.327 120.934 120.500 0.179 0.000 2.113 124 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 124 R C 2.295 178.626 176.300 0.052 0.000 1.129 124 R CA 1.253 57.427 56.100 0.124 0.000 0.915 124 R CB -0.367 30.009 30.300 0.126 0.000 0.837 124 R HN 0.079 nan 8.270 nan 0.000 0.430 125 R N -0.048 120.477 120.500 0.042 0.000 2.117 125 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 125 R C 1.744 178.054 176.300 0.017 0.000 1.143 125 R CA 2.028 58.142 56.100 0.023 0.000 0.968 125 R CB -0.212 30.099 30.300 0.017 0.000 0.863 125 R HN 0.314 nan 8.270 nan 0.000 0.444 126 T N -1.463 113.104 114.554 0.022 0.000 3.037 126 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 126 T C 1.086 175.792 174.700 0.011 0.000 1.073 126 T CA 0.722 62.831 62.100 0.016 0.000 1.091 126 T CB 0.660 69.540 68.868 0.019 0.000 0.935 126 T HN 0.300 nan 8.240 nan 0.000 0.488 127 A N 0.142 122.967 122.820 0.009 0.000 2.551 127 A HA 0.630 4.950 4.320 -0.000 0.000 0.252 127 A C 1.503 179.070 177.584 -0.029 0.000 1.199 127 A CA 0.458 52.491 52.037 -0.007 0.000 0.972 127 A CB -0.077 18.920 19.000 -0.005 0.000 1.153 127 A HN 0.574 nan 8.150 nan 0.000 0.559 128 G N 0.347 109.132 108.800 -0.025 0.000 2.221 128 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.265 128 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.265 128 G C 0.101 174.944 174.900 -0.095 0.000 1.041 128 G CA 0.504 45.579 45.100 -0.043 0.000 0.807 128 G HN 0.477 nan 8.290 nan 0.000 0.502 129 L N -0.344 120.795 121.223 -0.139 0.000 2.453 129 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 129 L C 0.172 176.768 176.870 -0.457 0.000 1.179 129 L CA -0.267 54.360 54.840 -0.355 0.000 0.813 129 L CB 0.886 42.666 42.059 -0.466 0.000 1.110 129 L HN 0.122 nan 8.230 nan 0.000 0.466 130 D N 1.149 121.136 120.400 -0.688 0.000 2.757 130 D HA 0.412 5.052 4.640 -0.000 0.000 0.249 130 D C -1.515 174.344 176.300 -0.735 0.000 1.168 130 D CA -0.271 53.471 54.000 -0.430 0.000 0.870 130 D CB 1.732 42.494 40.800 -0.064 0.000 1.411 130 D HN 0.068 nan 8.370 nan 0.000 0.525 131 F N 1.150 120.996 119.950 -0.174 0.000 2.507 131 F HA 0.340 4.867 4.527 -0.000 0.000 0.325 131 F C 0.520 176.152 175.800 -0.281 0.000 1.116 131 F CA -0.711 57.019 58.000 -0.450 0.000 0.930 131 F CB 2.010 40.623 39.000 -0.644 0.000 1.146 131 F HN 0.018 nan 8.300 nan 0.000 0.447 132 S N 2.159 117.788 115.700 -0.119 0.000 2.454 132 S HA 0.671 5.141 4.470 -0.000 0.000 0.306 132 S C -1.109 173.431 174.600 -0.100 0.000 1.100 132 S CA -0.688 57.537 58.200 0.042 0.000 1.087 132 S CB 0.934 64.269 63.200 0.224 0.000 1.019 132 S HN 0.336 nan 8.310 nan 0.000 0.480 133 F N 2.082 122.146 119.950 0.191 0.000 2.313 133 F HA 0.484 5.011 4.527 -0.000 0.000 0.369 133 F C 0.067 175.955 175.800 0.148 0.000 1.109 133 F CA -0.662 57.445 58.000 0.178 0.000 1.132 133 F CB 0.991 40.103 39.000 0.187 0.000 1.291 133 F HN 0.329 nan 8.300 nan 0.000 0.496 134 V N 1.996 122.074 119.914 0.275 0.000 2.850 134 V HA 0.197 4.317 4.120 -0.000 0.000 0.315 134 V C -0.482 175.714 176.094 0.171 0.000 1.064 134 V CA -0.997 61.426 62.300 0.206 0.000 0.979 134 V CB 2.225 34.169 31.823 0.202 0.000 1.039 134 V HN 0.543 nan 8.190 nan 0.000 0.452 135 D N 1.976 122.455 120.400 0.132 0.000 2.435 135 D HA 0.193 4.833 4.640 -0.000 0.000 0.230 135 D C 0.899 177.249 176.300 0.083 0.000 1.215 135 D CA 0.056 54.115 54.000 0.098 0.000 0.947 135 D CB 0.255 41.102 40.800 0.078 0.000 1.048 135 D HN 0.453 nan 8.370 nan 0.000 0.512 136 L N 2.803 124.061 121.223 0.059 0.000 2.610 136 L HA -0.030 4.310 4.340 -0.000 0.000 0.232 136 L C 2.053 178.927 176.870 0.006 0.000 1.149 136 L CA 0.289 55.131 54.840 0.003 0.000 0.872 136 L CB -0.242 41.771 42.059 -0.076 0.000 0.992 136 L HN 0.470 nan 8.230 nan 0.000 0.447 137 T N -1.124 113.448 114.554 0.031 0.000 2.881 137 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 137 T C 0.829 175.554 174.700 0.042 0.000 1.068 137 T CA 1.057 63.177 62.100 0.033 0.000 1.131 137 T CB -0.134 68.756 68.868 0.036 0.000 0.871 137 T HN 0.208 nan 8.240 nan 0.000 0.479 138 D N 0.469 120.902 120.400 0.056 0.000 2.477 138 D HA 0.211 4.851 4.640 -0.000 0.000 0.239 138 D C -1.987 174.369 176.300 0.094 0.000 1.102 138 D CA -2.309 51.731 54.000 0.066 0.000 0.901 138 D CB 1.645 42.482 40.800 0.063 0.000 1.026 138 D HN 0.021 nan 8.370 nan 0.000 0.515 139 P HA -0.193 nan 4.420 nan 0.000 0.217 139 P C 1.222 178.610 177.300 0.147 0.000 1.151 139 P CA 1.426 64.614 63.100 0.147 0.000 0.849 139 P CB 0.248 32.016 31.700 0.113 0.000 0.787 140 A N 0.192 123.068 122.820 0.092 0.000 1.892 140 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 140 A C 2.401 180.024 177.584 0.065 0.000 1.188 140 A CA 2.638 54.712 52.037 0.063 0.000 0.631 140 A CB -1.659 17.370 19.000 0.048 0.000 0.822 140 A HN 0.233 nan 8.150 nan 0.000 0.447 141 A N -1.413 121.462 122.820 0.092 0.000 1.908 141 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 141 A C 2.052 179.721 177.584 0.142 0.000 1.181 141 A CA 1.810 53.908 52.037 0.102 0.000 0.627 141 A CB -0.720 18.347 19.000 0.112 0.000 0.818 141 A HN 0.729 nan 8.150 nan 0.000 0.445 142 F N 0.741 120.696 119.950 0.008 0.000 2.134 142 F HA -0.102 4.425 4.527 0.000 0.000 0.299 142 F C 2.065 177.834 175.800 -0.052 0.000 1.097 142 F CA 1.896 59.891 58.000 -0.008 0.000 1.264 142 F CB -0.399 38.599 39.000 -0.004 0.000 1.001 142 F HN 0.148 nan 8.300 nan 0.000 0.479 143 K N 0.011 120.289 120.400 -0.203 0.000 2.063 143 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 143 K C 2.205 178.658 176.600 -0.245 0.000 1.048 143 K CA 1.375 57.472 56.287 -0.317 0.000 0.928 143 K CB -0.554 31.869 32.500 -0.128 0.000 0.713 143 K HN 0.332 nan 8.250 nan 0.000 0.442 144 A N 0.593 123.347 122.820 -0.110 0.000 2.121 144 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 144 A C 1.972 179.518 177.584 -0.064 0.000 1.154 144 A CA 1.575 53.575 52.037 -0.063 0.000 0.679 144 A CB -0.202 18.793 19.000 -0.009 0.000 0.795 144 A HN 0.323 nan 8.150 nan 0.000 0.458 145 A N -0.979 121.796 122.820 -0.075 0.000 2.390 145 A HA 0.483 4.803 4.320 -0.000 0.000 0.232 145 A C 0.795 178.354 177.584 -0.041 0.000 1.233 145 A CA -0.363 51.667 52.037 -0.011 0.000 0.907 145 A CB -0.109 18.950 19.000 0.098 0.000 0.967 145 A HN 0.392 nan 8.150 nan 0.000 0.512 146 I N -0.040 120.411 120.570 -0.198 0.000 3.194 146 I HA 0.241 4.411 4.170 -0.000 0.000 0.283 146 I C 0.804 176.853 176.117 -0.114 0.000 1.199 146 I CA 0.215 61.392 61.300 -0.206 0.000 1.328 146 I CB 0.514 38.214 38.000 -0.500 0.000 1.404 146 I HN 0.282 nan 8.210 nan 0.000 0.618 147 R N 0.843 121.307 120.500 -0.060 0.000 2.747 147 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 147 R C 0.097 176.391 176.300 -0.009 0.000 1.032 147 R CA -0.341 55.721 56.100 -0.063 0.000 0.896 147 R CB 1.177 31.381 30.300 -0.160 0.000 1.253 147 R HN 0.594 nan 8.270 nan 0.000 0.461 148 A N -0.002 122.807 122.820 -0.018 0.000 2.016 148 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 148 A C 1.347 178.927 177.584 -0.007 0.000 1.162 148 A CA 1.690 53.726 52.037 -0.003 0.000 0.662 148 A CB -0.357 18.635 19.000 -0.013 0.000 0.812 148 A HN 0.729 nan 8.150 nan 0.000 0.450 149 D N -0.208 120.175 120.400 -0.029 0.000 2.221 149 D HA -0.057 4.583 4.640 -0.000 0.000 0.204 149 D C 0.441 176.763 176.300 0.035 0.000 0.982 149 D CA 0.964 54.950 54.000 -0.024 0.000 0.857 149 D CB -0.161 40.589 40.800 -0.084 0.000 0.934 149 D HN 0.262 nan 8.370 nan 0.000 0.475 150 T N -0.073 114.527 114.554 0.077 0.000 2.814 150 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 150 T C 0.962 175.692 174.700 0.050 0.000 0.956 150 T CA -0.042 62.138 62.100 0.133 0.000 1.123 150 T CB 1.181 70.177 68.868 0.213 0.000 0.902 150 T HN -0.096 nan 8.240 nan 0.000 0.528 151 K N 2.447 122.852 120.400 0.009 0.000 2.380 151 K HA 0.411 4.731 4.320 -0.000 0.000 0.198 151 K C 0.151 176.764 176.600 0.022 0.000 1.070 151 K CA 0.222 56.514 56.287 0.008 0.000 1.040 151 K CB 0.631 33.124 32.500 -0.012 0.000 0.903 151 K HN 0.491 nan 8.250 nan 0.000 0.549 152 M N 0.689 120.297 119.600 0.013 0.000 2.471 152 M HA 0.290 4.770 4.480 -0.000 0.000 0.284 152 M C -1.770 174.580 176.300 0.084 0.000 1.203 152 M CA -0.909 54.422 55.300 0.052 0.000 0.915 152 M CB 2.012 34.641 32.600 0.049 0.000 1.734 152 M HN -0.279 nan 8.290 nan 0.000 0.485 153 V N 2.560 122.543 119.914 0.115 0.000 2.417 153 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 153 V C -1.026 175.134 176.094 0.111 0.000 1.024 153 V CA -0.536 61.820 62.300 0.094 0.000 0.861 153 V CB 1.762 33.570 31.823 -0.026 0.000 0.985 153 V HN 0.833 nan 8.190 nan 0.000 0.436 154 W N 6.773 128.069 121.300 -0.006 0.000 2.278 154 W HA 0.639 5.299 4.660 0.000 0.000 0.317 154 W C -1.161 175.371 176.519 0.022 0.000 1.030 154 W CA -0.738 56.642 57.345 0.058 0.000 1.334 154 W CB 1.236 30.819 29.460 0.205 0.000 1.215 154 W HN 0.503 nan 8.180 nan 0.000 0.405 155 I N 4.175 124.619 120.570 -0.210 0.000 2.498 155 I HA 0.308 4.478 4.170 -0.000 0.000 0.301 155 I C -0.038 175.975 176.117 -0.173 0.000 0.984 155 I CA -0.471 60.743 61.300 -0.143 0.000 1.204 155 I CB 2.029 39.916 38.000 -0.187 0.000 1.362 155 I HN 0.315 nan 8.210 nan 0.000 0.471 156 E N 3.543 123.717 120.200 -0.043 0.000 2.281 156 E HA 0.426 4.776 4.350 -0.000 0.000 0.266 156 E C -1.533 175.027 176.600 -0.067 0.000 0.893 156 E CA -0.426 55.943 56.400 -0.051 0.000 0.798 156 E CB 1.874 31.611 29.700 0.062 0.000 1.245 156 E HN 0.594 nan 8.360 nan 0.000 0.410 157 T N 4.713 119.212 114.554 -0.091 0.000 3.071 157 T HA 0.457 4.807 4.350 -0.000 0.000 0.311 157 T C -2.853 171.830 174.700 -0.028 0.000 1.042 157 T CA -1.579 60.488 62.100 -0.055 0.000 1.028 157 T CB 1.463 70.308 68.868 -0.039 0.000 1.068 157 T HN 0.239 nan 8.240 nan 0.000 0.451 158 P HA 0.247 nan 4.420 nan 0.000 0.272 158 P C 0.109 177.360 177.300 -0.081 0.000 1.223 158 P CA -0.210 62.907 63.100 0.027 0.000 0.784 158 P CB 0.369 32.140 31.700 0.118 0.000 0.923 159 T N -1.141 113.389 114.554 -0.039 0.000 2.788 159 T HA 0.345 4.695 4.350 -0.000 0.000 0.280 159 T C -0.058 174.580 174.700 -0.104 0.000 0.984 159 T CA -0.584 61.454 62.100 -0.104 0.000 0.972 159 T CB 0.280 69.144 68.868 -0.007 0.000 1.039 159 T HN 0.407 nan 8.240 nan 0.000 0.530 160 N N 1.129 119.760 118.700 -0.116 0.000 2.461 160 N HA 0.435 5.175 4.740 -0.000 0.000 0.284 160 N C -2.470 173.104 175.510 0.106 0.000 1.049 160 N CA -2.246 50.816 53.050 0.021 0.000 0.889 160 N CB 2.144 40.527 38.487 -0.172 0.000 1.365 160 N HN 0.348 nan 8.380 nan 0.000 0.499 161 P HA 0.187 nan 4.420 nan 0.000 0.282 161 P C 0.310 177.715 177.300 0.176 0.000 1.373 161 P CA 0.030 63.254 63.100 0.207 0.000 1.001 161 P CB 0.347 32.155 31.700 0.181 0.000 1.489 162 M N -0.717 118.961 119.600 0.129 0.000 2.618 162 M HA 0.135 4.615 4.480 -0.000 0.000 0.240 162 M C 0.168 176.564 176.300 0.160 0.000 1.123 162 M CA -0.171 55.200 55.300 0.119 0.000 1.060 162 M CB -1.047 31.596 32.600 0.071 0.000 1.535 162 M HN -0.171 nan 8.290 nan 0.000 0.507 163 L N 1.063 122.395 121.223 0.182 0.000 3.713 163 L HA -0.242 4.098 4.340 -0.000 0.000 0.499 163 L C -0.099 176.911 176.870 0.233 0.000 1.281 163 L CA 0.840 55.807 54.840 0.211 0.000 0.796 163 L CB -2.213 39.990 42.059 0.239 0.000 1.535 163 L HN 0.326 nan 8.230 nan 0.000 0.851 164 K N 0.444 120.929 120.400 0.142 0.000 2.263 164 K HA 0.598 4.917 4.320 -0.000 0.000 0.272 164 K C 0.022 176.681 176.600 0.099 0.000 1.033 164 K CA -0.939 55.424 56.287 0.127 0.000 0.884 164 K CB 1.193 33.735 32.500 0.070 0.000 1.107 164 K HN 0.024 nan 8.250 nan 0.000 0.460 165 L N 2.526 123.823 121.223 0.123 0.000 2.439 165 L HA 0.425 4.765 4.340 -0.000 0.000 0.261 165 L C -0.285 176.609 176.870 0.039 0.000 1.153 165 L CA -0.263 54.616 54.840 0.065 0.000 0.808 165 L CB 1.381 43.480 42.059 0.065 0.000 1.126 165 L HN 0.354 nan 8.230 nan 0.000 0.460 166 V N 0.491 120.410 119.914 0.008 0.000 2.760 166 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 166 V C -1.042 175.038 176.094 -0.022 0.000 1.077 166 V CA -0.799 61.495 62.300 -0.010 0.000 0.910 166 V CB 1.981 33.784 31.823 -0.033 0.000 1.008 166 V HN 0.742 nan 8.190 nan 0.000 0.424 167 D N 4.680 125.070 120.400 -0.016 0.000 2.342 167 D HA 0.249 4.889 4.640 -0.000 0.000 0.260 167 D C 1.160 177.442 176.300 -0.029 0.000 1.278 167 D CA 0.277 54.270 54.000 -0.012 0.000 0.910 167 D CB 1.056 41.859 40.800 0.005 0.000 1.079 167 D HN 0.622 nan 8.370 nan 0.000 0.496 168 I N 3.207 123.758 120.570 -0.033 0.000 2.162 168 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 168 I C 2.467 178.568 176.117 -0.028 0.000 1.076 168 I CA 0.871 62.143 61.300 -0.047 0.000 1.353 168 I CB -0.245 37.724 38.000 -0.053 0.000 1.063 168 I HN 0.429 nan 8.210 nan 0.000 0.408 169 A N 0.978 123.791 122.820 -0.012 0.000 1.892 169 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 169 A C 2.530 180.124 177.584 0.017 0.000 1.188 169 A CA 2.287 54.326 52.037 0.003 0.000 0.631 169 A CB -0.996 18.008 19.000 0.006 0.000 0.822 169 A HN 0.469 nan 8.150 nan 0.000 0.447 170 A N -0.364 122.468 122.820 0.019 0.000 1.902 170 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 170 A C 2.043 179.664 177.584 0.063 0.000 1.181 170 A CA 1.644 53.705 52.037 0.040 0.000 0.623 170 A CB -0.429 18.593 19.000 0.036 0.000 0.818 170 A HN 0.460 nan 8.150 nan 0.000 0.443 171 I N -0.601 119.982 120.570 0.022 0.000 2.584 171 I HA -0.104 4.066 4.170 -0.000 0.000 0.255 171 I C 2.875 179.027 176.117 0.058 0.000 1.145 171 I CA 1.134 62.437 61.300 0.005 0.000 1.462 171 I CB -1.304 36.576 38.000 -0.201 0.000 1.102 171 I HN 0.360 nan 8.210 nan 0.000 0.433 172 A N 1.082 123.916 122.820 0.023 0.000 1.865 172 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 172 A C 2.569 180.207 177.584 0.090 0.000 1.191 172 A CA 1.818 53.881 52.037 0.043 0.000 0.623 172 A CB -1.137 17.871 19.000 0.013 0.000 0.826 172 A HN 0.198 nan 8.150 nan 0.000 0.444 173 V N 0.199 120.162 119.914 0.082 0.000 2.282 173 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 173 V C 2.439 178.606 176.094 0.120 0.000 1.057 173 V CA 2.438 64.788 62.300 0.084 0.000 1.032 173 V CB -0.491 31.372 31.823 0.066 0.000 0.645 173 V HN 0.599 nan 8.190 nan 0.000 0.447 174 I N -0.190 120.480 120.570 0.166 0.000 2.179 174 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 174 I C 2.629 178.883 176.117 0.228 0.000 1.088 174 I CA 1.571 62.990 61.300 0.198 0.000 1.357 174 I CB -0.661 37.480 38.000 0.235 0.000 1.051 174 I HN 0.330 nan 8.210 nan 0.000 0.409 175 A N 0.637 123.636 122.820 0.298 0.000 1.902 175 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 175 A C 2.449 180.143 177.584 0.183 0.000 1.181 175 A CA 1.829 54.039 52.037 0.288 0.000 0.623 175 A CB -0.671 18.527 19.000 0.330 0.000 0.818 175 A HN 0.365 nan 8.150 nan 0.000 0.443 176 R N -0.706 119.877 120.500 0.139 0.000 2.115 176 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 176 R C 1.943 178.291 176.300 0.080 0.000 1.111 176 R CA 1.624 57.780 56.100 0.093 0.000 0.976 176 R CB -0.147 30.194 30.300 0.067 0.000 0.870 176 R HN 0.313 nan 8.270 nan 0.000 0.445 177 K N 0.155 120.611 120.400 0.094 0.000 1.977 177 K HA -0.159 4.161 4.320 -0.000 0.000 0.218 177 K C 1.754 178.363 176.600 0.015 0.000 1.051 177 K CA 1.989 58.304 56.287 0.047 0.000 0.953 177 K CB -0.711 31.828 32.500 0.065 0.000 0.727 177 K HN 0.331 nan 8.250 nan 0.000 0.445 178 H N -0.931 118.132 119.070 -0.011 0.000 2.568 178 H HA 0.118 4.674 4.556 -0.000 0.000 0.281 178 H C 0.820 176.143 175.328 -0.008 0.000 1.028 178 H CA 1.067 57.099 56.048 -0.027 0.000 1.199 178 H CB -0.244 29.477 29.762 -0.069 0.000 1.352 178 H HN 0.525 nan 8.280 nan 0.000 0.605 179 G N -0.076 108.781 108.800 0.096 0.000 2.137 179 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 179 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 179 G C -0.010 174.931 174.900 0.068 0.000 1.002 179 G CA 0.159 45.295 45.100 0.060 0.000 0.702 179 G HN 0.328 nan 8.290 nan 0.000 0.515 180 L N -0.549 120.730 121.223 0.094 0.000 2.399 180 L HA 0.658 4.998 4.340 -0.000 0.000 0.265 180 L C 1.147 178.064 176.870 0.078 0.000 1.089 180 L CA -1.081 53.814 54.840 0.091 0.000 0.802 180 L CB 0.941 43.080 42.059 0.133 0.000 1.180 180 L HN -0.022 nan 8.230 nan 0.000 0.454 181 L N 1.238 122.500 121.223 0.065 0.000 2.367 181 L HA 0.214 4.554 4.340 -0.000 0.000 0.275 181 L C 0.543 177.444 176.870 0.052 0.000 1.129 181 L CA 0.182 55.054 54.840 0.053 0.000 0.839 181 L CB 1.332 43.421 42.059 0.051 0.000 1.133 181 L HN 0.652 nan 8.230 nan 0.000 0.453 182 T N 3.660 118.229 114.554 0.025 0.000 2.758 182 T HA 0.569 4.919 4.350 -0.000 0.000 0.285 182 T C -0.677 173.977 174.700 -0.077 0.000 0.981 182 T CA -0.546 61.546 62.100 -0.014 0.000 0.965 182 T CB 0.789 69.652 68.868 -0.008 0.000 0.927 182 T HN 0.223 nan 8.240 nan 0.000 0.448 183 V N 6.075 125.895 119.914 -0.156 0.000 2.487 183 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 183 V C -0.338 175.460 176.094 -0.494 0.000 1.028 183 V CA -0.764 61.345 62.300 -0.318 0.000 0.860 183 V CB 1.909 33.489 31.823 -0.404 0.000 0.991 183 V HN 0.838 nan 8.190 nan 0.000 0.427 184 V N 3.381 123.038 119.914 -0.428 0.000 2.384 184 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 184 V C -0.081 175.733 176.094 -0.466 0.000 1.020 184 V CA -0.673 61.369 62.300 -0.429 0.000 0.850 184 V CB 1.819 33.490 31.823 -0.254 0.000 0.987 184 V HN 0.882 nan 8.190 nan 0.000 0.436 185 D N 3.844 123.952 120.400 -0.488 0.000 2.338 185 D HA 0.040 4.680 4.640 -0.000 0.000 0.255 185 D C 0.464 176.624 176.300 -0.233 0.000 1.237 185 D CA 0.196 54.027 54.000 -0.282 0.000 0.883 185 D CB 0.812 41.575 40.800 -0.061 0.000 1.087 185 D HN 0.571 nan 8.370 nan 0.000 0.485 186 N N 2.220 120.719 118.700 -0.335 0.000 2.230 186 N HA 0.002 4.742 4.740 -0.000 0.000 0.202 186 N C 1.125 176.628 175.510 -0.011 0.000 1.119 186 N CA 0.009 52.912 53.050 -0.245 0.000 0.851 186 N CB 0.393 38.674 38.487 -0.343 0.000 0.990 186 N HN 0.268 nan 8.380 nan 0.000 0.497 187 T N 0.101 114.705 114.554 0.083 0.000 2.620 187 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 187 T C 1.168 176.192 174.700 0.540 0.000 1.044 187 T CA 1.427 63.767 62.100 0.400 0.000 1.161 187 T CB -0.402 68.668 68.868 0.336 0.000 0.862 187 T HN 0.191 nan 8.240 nan 0.000 0.438 188 F N 1.329 121.364 119.950 0.142 0.000 2.234 188 F HA 0.279 4.806 4.527 -0.000 0.000 0.299 188 F C 1.907 177.690 175.800 -0.029 0.000 1.087 188 F CA -0.145 57.949 58.000 0.156 0.000 1.340 188 F CB -0.545 38.517 39.000 0.105 0.000 1.031 188 F HN 0.136 nan 8.300 nan 0.000 0.500 189 A N 0.138 123.059 122.820 0.168 0.000 3.165 189 A HA 0.476 4.796 4.320 -0.000 0.000 0.331 189 A C 0.587 178.189 177.584 0.029 0.000 1.034 189 A CA -0.223 51.818 52.037 0.006 0.000 0.906 189 A CB -0.838 18.169 19.000 0.010 0.000 1.054 189 A HN 0.156 nan 8.150 nan 0.000 0.484 190 S N 1.157 116.875 115.700 0.030 0.000 2.545 190 S HA -0.023 4.447 4.470 -0.000 0.000 0.268 190 S C -1.034 173.616 174.600 0.084 0.000 1.369 190 S CA 0.437 58.706 58.200 0.115 0.000 1.001 190 S CB -0.362 62.837 63.200 -0.003 0.000 0.838 190 S HN 0.421 nan 8.310 nan 0.000 0.520 191 P HA -0.183 nan 4.420 nan 0.000 0.219 191 P C 1.348 178.651 177.300 0.005 0.000 1.145 191 P CA 1.315 64.447 63.100 0.053 0.000 0.813 191 P CB -0.179 31.537 31.700 0.027 0.000 0.771 192 M N -1.320 118.270 119.600 -0.017 0.000 2.108 192 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 192 M C 2.091 178.356 176.300 -0.058 0.000 1.066 192 M CA 1.816 57.092 55.300 -0.039 0.000 1.107 192 M CB -1.545 31.023 32.600 -0.054 0.000 1.356 192 M HN -0.051 nan 8.290 nan 0.000 0.406 193 L N -1.998 119.184 121.223 -0.068 0.000 2.388 193 L HA 0.141 4.481 4.340 -0.000 0.000 0.209 193 L C 0.932 177.752 176.870 -0.082 0.000 1.061 193 L CA 0.005 54.785 54.840 -0.100 0.000 0.834 193 L CB -0.255 41.727 42.059 -0.128 0.000 1.029 193 L HN 0.259 nan 8.230 nan 0.000 0.473 194 Q N 0.541 120.313 119.800 -0.046 0.000 2.377 194 Q HA 0.484 4.824 4.340 -0.000 0.000 0.279 194 Q C -1.225 174.768 176.000 -0.012 0.000 1.049 194 Q CA -0.790 54.991 55.803 -0.036 0.000 0.825 194 Q CB 2.207 30.920 28.738 -0.041 0.000 1.401 194 Q HN 0.138 nan 8.270 nan 0.000 0.404 195 R N 2.758 123.249 120.500 -0.015 0.000 2.494 195 R HA 0.297 4.637 4.340 -0.000 0.000 0.284 195 R C -2.216 174.077 176.300 -0.013 0.000 1.525 195 R CA -1.565 54.534 56.100 -0.002 0.000 1.460 195 R CB 1.202 31.502 30.300 0.001 0.000 1.134 195 R HN 0.482 nan 8.270 nan 0.000 0.592 196 P HA -0.149 nan 4.420 nan 0.000 0.228 196 P C 0.845 178.126 177.300 -0.032 0.000 1.151 196 P CA 0.905 63.979 63.100 -0.042 0.000 0.770 196 P CB 0.300 31.954 31.700 -0.075 0.000 0.786 197 L N -0.134 121.078 121.223 -0.017 0.000 1.961 197 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 197 L C 2.498 179.365 176.870 -0.006 0.000 1.072 197 L CA 2.385 57.220 54.840 -0.008 0.000 0.749 197 L CB -1.575 40.486 42.059 0.005 0.000 0.889 197 L HN 0.118 nan 8.230 nan 0.000 0.432 198 S N 0.227 115.924 115.700 -0.005 0.000 2.462 198 S HA -0.149 4.321 4.470 -0.000 0.000 0.243 198 S C 1.449 176.046 174.600 -0.006 0.000 1.003 198 S CA 0.919 59.116 58.200 -0.004 0.000 0.970 198 S CB -0.747 62.450 63.200 -0.005 0.000 0.762 198 S HN 0.434 nan 8.310 nan 0.000 0.510 199 L N 1.287 122.503 121.223 -0.011 0.000 2.737 199 L HA 0.386 4.726 4.340 -0.000 0.000 0.236 199 L C 1.384 178.249 176.870 -0.008 0.000 1.219 199 L CA 0.016 54.849 54.840 -0.011 0.000 1.021 199 L CB -1.153 40.895 42.059 -0.018 0.000 1.291 199 L HN 0.485 nan 8.230 nan 0.000 0.470 200 G N 1.042 109.840 108.800 -0.003 0.000 2.295 200 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.287 200 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.287 200 G C 0.302 175.200 174.900 -0.004 0.000 1.055 200 G CA 0.288 45.389 45.100 0.002 0.000 0.922 200 G HN 0.602 nan 8.290 nan 0.000 0.503 201 A N -0.705 122.104 122.820 -0.017 0.000 2.304 201 A HA 0.702 5.022 4.320 -0.000 0.000 0.301 201 A C 1.046 178.621 177.584 -0.016 0.000 1.132 201 A CA 0.190 52.208 52.037 -0.032 0.000 0.819 201 A CB 0.701 19.665 19.000 -0.061 0.000 1.094 201 A HN 0.181 nan 8.150 nan 0.000 0.492 202 D N 0.443 120.835 120.400 -0.015 0.000 2.216 202 D HA 0.129 4.769 4.640 -0.000 0.000 0.208 202 D C -0.001 176.307 176.300 0.013 0.000 0.960 202 D CA 1.223 55.228 54.000 0.008 0.000 0.861 202 D CB 0.230 41.041 40.800 0.018 0.000 0.985 202 D HN 0.389 nan 8.370 nan 0.000 0.493 203 L N 0.908 122.121 121.223 -0.017 0.000 2.431 203 L HA 0.360 4.700 4.340 -0.000 0.000 0.266 203 L C -1.112 175.711 176.870 -0.079 0.000 0.978 203 L CA -0.685 54.147 54.840 -0.013 0.000 0.822 203 L CB 3.404 45.460 42.059 -0.004 0.000 1.310 203 L HN -0.339 nan 8.230 nan 0.000 0.409 204 V N 3.586 123.476 119.914 -0.041 0.000 2.417 204 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 204 V C -0.254 175.793 176.094 -0.078 0.000 1.024 204 V CA -0.659 61.576 62.300 -0.108 0.000 0.861 204 V CB 2.221 34.004 31.823 -0.066 0.000 0.985 204 V HN 0.476 nan 8.190 nan 0.000 0.436 205 V N 2.371 122.177 119.914 -0.180 0.000 2.581 205 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 205 V C -0.592 175.405 176.094 -0.161 0.000 1.041 205 V CA -0.469 61.802 62.300 -0.049 0.000 0.907 205 V CB 1.822 33.677 31.823 0.054 0.000 0.994 205 V HN 0.853 nan 8.190 nan 0.000 0.442 206 H N 1.759 120.914 119.070 0.141 0.000 2.600 206 H HA 0.440 4.996 4.556 0.000 0.000 0.357 206 H C -0.465 174.966 175.328 0.173 0.000 1.106 206 H CA -0.481 55.654 56.048 0.146 0.000 1.193 206 H CB 2.263 32.113 29.762 0.146 0.000 1.594 206 H HN 0.794 nan 8.280 nan 0.000 0.526 207 S N 1.448 117.309 115.700 0.268 0.000 2.443 207 S HA 0.202 4.672 4.470 -0.000 0.000 0.284 207 S C 1.084 175.822 174.600 0.231 0.000 1.206 207 S CA -0.110 58.221 58.200 0.218 0.000 1.074 207 S CB -0.007 63.267 63.200 0.125 0.000 0.963 207 S HN 0.748 nan 8.310 nan 0.000 0.501 208 A N 4.564 127.517 122.820 0.222 0.000 2.132 208 A HA 0.092 4.412 4.320 -0.000 0.000 0.213 208 A C 2.072 179.730 177.584 0.124 0.000 1.154 208 A CA 1.006 53.155 52.037 0.187 0.000 0.753 208 A CB -0.821 18.324 19.000 0.240 0.000 0.826 208 A HN 0.769 nan 8.150 nan 0.000 0.469 209 T N 0.540 115.161 114.554 0.112 0.000 2.714 209 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 209 T C 1.641 176.349 174.700 0.014 0.000 1.036 209 T CA 2.214 64.352 62.100 0.063 0.000 1.148 209 T CB -0.142 68.765 68.868 0.065 0.000 0.856 209 T HN 0.533 nan 8.240 nan 0.000 0.462 210 K N -0.505 119.898 120.400 0.007 0.000 3.215 210 K HA 0.285 4.605 4.320 -0.000 0.000 0.171 210 K C 1.766 178.291 176.600 -0.124 0.000 1.127 210 K CA 0.342 56.555 56.287 -0.124 0.000 1.421 210 K CB -0.542 31.873 32.500 -0.141 0.000 1.962 210 K HN 0.091 nan 8.250 nan 0.000 0.478 211 Y N 1.247 121.550 120.300 0.004 0.000 2.184 211 Y HA -0.044 4.506 4.550 -0.000 0.000 0.290 211 Y C 2.033 177.951 175.900 0.029 0.000 1.129 211 Y CA 1.011 59.112 58.100 0.003 0.000 1.144 211 Y CB -0.506 37.952 38.460 -0.003 0.000 0.995 211 Y HN 0.109 nan 8.280 nan 0.000 0.513 212 L N 0.234 121.569 121.223 0.187 0.000 1.976 212 L HA -0.388 3.952 4.340 -0.000 0.000 0.223 212 L C 2.477 179.413 176.870 0.109 0.000 1.081 212 L CA 2.308 57.208 54.840 0.101 0.000 0.784 212 L CB -0.759 41.334 42.059 0.057 0.000 0.896 212 L HN 0.430 nan 8.230 nan 0.000 0.438 213 N N -0.395 118.365 118.700 0.099 0.000 2.135 213 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 213 N C 1.457 177.096 175.510 0.215 0.000 1.027 213 N CA 1.448 54.555 53.050 0.094 0.000 0.849 213 N CB 0.184 38.698 38.487 0.045 0.000 1.002 213 N HN 0.469 nan 8.380 nan 0.000 0.425 214 G N 0.001 108.873 108.800 0.119 0.000 2.162 214 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 214 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 214 G C 0.295 175.088 174.900 -0.178 0.000 0.976 214 G CA 0.625 45.731 45.100 0.011 0.000 0.655 214 G HN 0.684 nan 8.290 nan 0.000 0.533 215 H N -0.540 118.510 119.070 -0.033 0.000 2.767 215 H HA 0.306 4.862 4.556 0.000 0.000 0.260 215 H C 1.461 176.763 175.328 -0.044 0.000 1.172 215 H CA 0.328 56.352 56.048 -0.040 0.000 1.048 215 H CB 0.604 30.338 29.762 -0.048 0.000 1.697 215 H HN 0.362 nan 8.280 nan 0.000 0.606 216 S N 1.872 117.586 115.700 0.022 0.000 3.364 216 S HA -0.195 4.274 4.470 -0.000 0.000 0.361 216 S C 0.701 175.311 174.600 0.017 0.000 1.107 216 S CA 1.490 59.689 58.200 -0.002 0.000 1.029 216 S CB -0.861 62.321 63.200 -0.030 0.000 0.912 216 S HN 0.760 nan 8.310 nan 0.000 0.513 217 D N -0.931 119.489 120.400 0.034 0.000 2.535 217 D HA 0.440 5.080 4.640 -0.000 0.000 0.229 217 D C 0.132 176.438 176.300 0.010 0.000 1.238 217 D CA -0.260 53.751 54.000 0.018 0.000 0.824 217 D CB -0.127 40.682 40.800 0.015 0.000 1.045 217 D HN 0.612 nan 8.370 nan 0.000 0.500 218 M N -1.901 117.710 119.600 0.017 0.000 2.562 218 M HA 0.538 5.018 4.480 -0.000 0.000 0.281 218 M C -2.302 174.022 176.300 0.040 0.000 1.195 218 M CA -0.966 54.348 55.300 0.023 0.000 0.888 218 M CB 2.202 34.804 32.600 0.004 0.000 1.731 218 M HN -0.287 nan 8.290 nan 0.000 0.493 219 V N 2.138 122.085 119.914 0.056 0.000 2.370 219 V HA 1.009 5.129 4.120 -0.000 0.000 0.283 219 V C 0.302 176.460 176.094 0.107 0.000 1.023 219 V CA 0.390 62.737 62.300 0.078 0.000 0.857 219 V CB 1.030 32.900 31.823 0.077 0.000 0.985 219 V HN 1.155 nan 8.190 nan 0.000 0.443 220 G N 2.684 111.565 108.800 0.136 0.000 2.646 220 G HA2 0.685 4.645 3.960 -0.000 0.000 0.291 220 G HA3 0.685 4.645 3.960 -0.000 0.000 0.291 220 G C -0.785 174.260 174.900 0.242 0.000 1.445 220 G CA -0.081 45.134 45.100 0.192 0.000 0.814 220 G HN 0.977 nan 8.290 nan 0.000 0.495 221 G N -1.077 107.912 108.800 0.314 0.000 2.498 221 G HA2 0.840 4.800 3.960 -0.000 0.000 0.312 221 G HA3 0.840 4.800 3.960 -0.000 0.000 0.312 221 G C -0.884 174.282 174.900 0.443 0.000 1.230 221 G CA -0.550 44.770 45.100 0.368 0.000 0.968 221 G HN 1.378 nan 8.290 nan 0.000 0.481 222 I N -1.722 119.099 120.570 0.418 0.000 2.865 222 I HA 0.907 5.076 4.170 -0.000 0.000 0.302 222 I C -0.220 176.156 176.117 0.433 0.000 1.140 222 I CA -1.531 59.999 61.300 0.384 0.000 1.021 222 I CB 2.382 40.480 38.000 0.163 0.000 1.233 222 I HN 0.733 nan 8.210 nan 0.000 0.427 223 A N 3.988 127.102 122.820 0.489 0.000 2.356 223 A HA 0.902 5.222 4.320 -0.000 0.000 0.310 223 A C -1.140 176.680 177.584 0.393 0.000 1.075 223 A CA -0.696 51.600 52.037 0.431 0.000 0.746 223 A CB 1.615 20.931 19.000 0.527 0.000 1.221 223 A HN 0.713 nan 8.150 nan 0.000 0.443 224 V N 2.562 122.628 119.914 0.254 0.000 2.588 224 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 224 V C -0.017 176.173 176.094 0.159 0.000 1.042 224 V CA -0.647 61.756 62.300 0.171 0.000 0.877 224 V CB 1.430 33.318 31.823 0.108 0.000 0.996 224 V HN 1.217 nan 8.190 nan 0.000 0.425 225 V N 2.178 122.192 119.914 0.167 0.000 2.581 225 V HA 0.961 5.081 4.120 -0.000 0.000 0.303 225 V C 0.804 176.942 176.094 0.074 0.000 1.041 225 V CA 0.502 62.881 62.300 0.131 0.000 0.907 225 V CB 1.437 33.367 31.823 0.179 0.000 0.994 225 V HN 0.896 nan 8.190 nan 0.000 0.442 226 G N 3.355 112.187 108.800 0.054 0.000 2.611 226 G HA2 0.012 3.972 3.960 -0.000 0.000 0.147 226 G HA3 0.012 3.972 3.960 -0.000 0.000 0.147 226 G C 0.187 175.109 174.900 0.036 0.000 1.798 226 G CA 0.819 45.940 45.100 0.034 0.000 0.973 226 G HN 1.092 nan 8.290 nan 0.000 0.416 227 D N -0.108 120.311 120.400 0.032 0.000 2.891 227 D HA 0.077 4.717 4.640 -0.000 0.000 0.312 227 D C -0.497 175.823 176.300 0.033 0.000 1.354 227 D CA -0.427 53.591 54.000 0.029 0.000 0.838 227 D CB -1.084 39.727 40.800 0.018 0.000 1.117 227 D HN 0.392 nan 8.370 nan 0.000 0.473 228 N N 0.841 119.568 118.700 0.044 0.000 2.415 228 N HA 0.329 5.069 4.740 -0.000 0.000 0.246 228 N C 1.009 176.551 175.510 0.054 0.000 1.078 228 N CA -0.404 52.672 53.050 0.044 0.000 0.942 228 N CB 1.789 40.303 38.487 0.045 0.000 1.140 228 N HN 0.090 nan 8.380 nan 0.000 0.501 229 A N 2.783 125.628 122.820 0.043 0.000 2.032 229 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 229 A C 2.011 179.627 177.584 0.053 0.000 1.165 229 A CA 1.408 53.474 52.037 0.047 0.000 0.645 229 A CB -0.259 18.759 19.000 0.031 0.000 0.807 229 A HN 0.702 nan 8.150 nan 0.000 0.453 230 E N -0.954 119.271 120.200 0.041 0.000 2.028 230 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 230 E C 1.937 178.566 176.600 0.049 0.000 0.988 230 E CA 1.212 57.633 56.400 0.034 0.000 0.799 230 E CB -0.230 29.482 29.700 0.020 0.000 0.755 230 E HN 0.492 nan 8.360 nan 0.000 0.447 231 L N 0.773 122.031 121.223 0.058 0.000 2.017 231 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 231 L C 2.141 179.076 176.870 0.108 0.000 1.073 231 L CA 2.142 57.025 54.840 0.071 0.000 0.745 231 L CB -0.826 41.275 42.059 0.071 0.000 0.894 231 L HN 0.125 nan 8.230 nan 0.000 0.432 232 A N -0.976 121.934 122.820 0.149 0.000 1.997 232 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 232 A C 2.154 179.882 177.584 0.239 0.000 1.172 232 A CA 2.003 54.190 52.037 0.250 0.000 0.645 232 A CB -0.564 18.557 19.000 0.202 0.000 0.813 232 A HN 0.541 nan 8.150 nan 0.000 0.454 233 E N -0.576 119.711 120.200 0.145 0.000 2.122 233 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 233 E C 2.166 178.843 176.600 0.128 0.000 0.977 233 E CA 0.829 57.310 56.400 0.136 0.000 0.820 233 E CB -0.429 29.322 29.700 0.085 0.000 0.770 233 E HN 0.770 nan 8.360 nan 0.000 0.462 234 Q N -0.458 119.393 119.800 0.085 0.000 2.061 234 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 234 Q C 2.049 178.101 176.000 0.086 0.000 0.984 234 Q CA 1.314 57.172 55.803 0.092 0.000 0.846 234 Q CB -0.040 28.730 28.738 0.055 0.000 0.902 234 Q HN 0.215 nan 8.270 nan 0.000 0.421 235 M N -0.209 119.358 119.600 -0.055 0.000 2.067 235 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 235 M C 2.342 178.347 176.300 -0.491 0.000 1.069 235 M CA 1.619 56.712 55.300 -0.345 0.000 1.117 235 M CB -1.407 30.808 32.600 -0.642 0.000 1.334 235 M HN 0.261 nan 8.290 nan 0.000 0.407 236 A N 0.444 123.059 122.820 -0.343 0.000 1.870 236 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 236 A C 2.136 179.766 177.584 0.077 0.000 1.224 236 A CA 2.310 54.383 52.037 0.060 0.000 0.650 236 A CB -1.578 17.621 19.000 0.330 0.000 0.836 236 A HN 0.488 nan 8.150 nan 0.000 0.454 237 F N 0.280 120.235 119.950 0.008 0.000 2.115 237 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 237 F C 1.951 177.760 175.800 0.015 0.000 1.092 237 F CA 2.103 60.116 58.000 0.022 0.000 1.245 237 F CB -0.287 38.725 39.000 0.019 0.000 0.995 237 F HN 0.180 nan 8.300 nan 0.000 0.481 238 L N -0.106 121.091 121.223 -0.043 0.000 2.027 238 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 238 L C 2.690 179.518 176.870 -0.071 0.000 1.074 238 L CA 1.781 56.565 54.840 -0.093 0.000 0.745 238 L CB -0.844 41.231 42.059 0.026 0.000 0.898 238 L HN 0.271 nan 8.230 nan 0.000 0.433 239 Q N 0.433 120.233 119.800 -0.000 0.000 2.135 239 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 239 Q C 1.705 177.730 176.000 0.042 0.000 0.981 239 Q CA 2.159 58.047 55.803 0.142 0.000 0.856 239 Q CB -0.071 28.708 28.738 0.068 0.000 0.902 239 Q HN 0.584 nan 8.270 nan 0.000 0.425 240 N N -0.915 117.755 118.700 -0.049 0.000 2.409 240 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 240 N C 1.308 176.734 175.510 -0.141 0.000 1.032 240 N CA 1.023 54.033 53.050 -0.066 0.000 0.898 240 N CB 0.301 38.766 38.487 -0.037 0.000 0.971 240 N HN 0.137 nan 8.380 nan 0.000 0.441 241 S N 0.310 115.857 115.700 -0.255 0.000 2.502 241 S HA 0.051 4.521 4.470 -0.000 0.000 0.228 241 S C 1.944 176.479 174.600 -0.109 0.000 1.061 241 S CA -0.025 58.031 58.200 -0.242 0.000 0.935 241 S CB -0.083 62.846 63.200 -0.452 0.000 0.809 241 S HN 0.336 nan 8.310 nan 0.000 0.510 242 I N 1.058 121.585 120.570 -0.072 0.000 2.394 242 I HA 0.310 4.480 4.170 -0.000 0.000 0.251 242 I C 1.751 177.885 176.117 0.028 0.000 1.136 242 I CA 1.233 62.529 61.300 -0.007 0.000 1.425 242 I CB -1.248 36.761 38.000 0.014 0.000 1.079 242 I HN 0.342 nan 8.210 nan 0.000 0.425 243 G N 0.238 109.066 108.800 0.047 0.000 2.162 243 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 243 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 243 G C 0.954 175.918 174.900 0.107 0.000 0.976 243 G CA 0.092 45.228 45.100 0.062 0.000 0.655 243 G HN 1.034 nan 8.290 nan 0.000 0.533 244 G N -0.050 108.855 108.800 0.176 0.000 3.263 244 G HA2 0.444 4.404 3.960 -0.000 0.000 0.246 244 G HA3 0.444 4.404 3.960 -0.000 0.000 0.246 244 G C 0.489 175.566 174.900 0.295 0.000 0.982 244 G CA 0.561 45.796 45.100 0.225 0.000 1.897 244 G HN 1.013 nan 8.290 nan 0.000 0.624 245 V N -0.075 119.933 119.914 0.156 0.000 2.732 245 V HA 0.289 4.409 4.120 -0.000 0.000 0.297 245 V C 0.399 176.532 176.094 0.065 0.000 1.060 245 V CA -0.678 61.660 62.300 0.064 0.000 1.038 245 V CB 1.674 33.503 31.823 0.010 0.000 1.003 245 V HN 0.581 nan 8.190 nan 0.000 0.481 246 Q N 3.581 123.403 119.800 0.038 0.000 2.286 246 Q HA 0.512 4.852 4.340 -0.000 0.000 0.257 246 Q C 0.245 176.258 176.000 0.022 0.000 0.941 246 Q CA 0.392 56.238 55.803 0.072 0.000 0.912 246 Q CB 1.230 30.043 28.738 0.126 0.000 1.192 246 Q HN 0.952 nan 8.270 nan 0.000 0.410 247 G N 3.990 112.807 108.800 0.030 0.000 2.651 247 G HA2 0.198 4.158 3.960 -0.000 0.000 0.260 247 G HA3 0.198 4.158 3.960 -0.000 0.000 0.260 247 G C -1.810 173.048 174.900 -0.070 0.000 1.216 247 G CA -1.115 43.976 45.100 -0.015 0.000 0.913 247 G HN 0.652 nan 8.290 nan 0.000 0.535 248 P HA -0.136 nan 4.420 nan 0.000 0.213 248 P C 1.651 178.819 177.300 -0.221 0.000 1.170 248 P CA 1.395 64.317 63.100 -0.296 0.000 0.902 248 P CB -0.059 31.330 31.700 -0.519 0.000 0.789 249 F N 0.126 120.080 119.950 0.007 0.000 2.161 249 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 249 F C 2.086 177.923 175.800 0.061 0.000 1.089 249 F CA 1.327 59.362 58.000 0.059 0.000 1.282 249 F CB -1.155 37.864 39.000 0.033 0.000 1.010 249 F HN -0.052 nan 8.300 nan 0.000 0.485 250 D N -0.306 120.208 120.400 0.190 0.000 2.149 250 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 250 D C 2.298 178.546 176.300 -0.086 0.000 0.972 250 D CA 1.309 55.345 54.000 0.060 0.000 0.835 250 D CB -0.422 40.416 40.800 0.063 0.000 0.966 250 D HN 0.190 nan 8.370 nan 0.000 0.476 251 S N 0.644 116.297 115.700 -0.078 0.000 2.368 251 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 251 S C 1.661 176.125 174.600 -0.226 0.000 1.030 251 S CA 0.371 58.441 58.200 -0.216 0.000 0.999 251 S CB -0.364 62.833 63.200 -0.004 0.000 0.844 251 S HN 0.243 nan 8.310 nan 0.000 0.459 252 F N 2.326 122.170 119.950 -0.177 0.000 2.095 252 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 252 F C 1.775 177.484 175.800 -0.153 0.000 1.104 252 F CA 1.082 59.004 58.000 -0.131 0.000 1.232 252 F CB -0.605 38.358 39.000 -0.062 0.000 0.987 252 F HN 0.077 nan 8.300 nan 0.000 0.475 253 L N 0.351 121.395 121.223 -0.298 0.000 2.056 253 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 253 L C 2.677 179.306 176.870 -0.402 0.000 1.078 253 L CA 1.897 56.503 54.840 -0.389 0.000 0.749 253 L CB -1.618 40.349 42.059 -0.155 0.000 0.901 253 L HN 0.260 nan 8.230 nan 0.000 0.433 254 A N -1.123 121.435 122.820 -0.436 0.000 1.873 254 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 254 A C 2.205 179.532 177.584 -0.429 0.000 1.186 254 A CA 1.506 53.251 52.037 -0.486 0.000 0.616 254 A CB -0.858 17.654 19.000 -0.813 0.000 0.823 254 A HN 0.332 nan 8.150 nan 0.000 0.442 255 L N 0.125 121.054 121.223 -0.490 0.000 2.042 255 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 255 L C 2.414 179.166 176.870 -0.196 0.000 1.076 255 L CA 2.500 57.230 54.840 -0.184 0.000 0.749 255 L CB -0.651 41.353 42.059 -0.091 0.000 0.893 255 L HN 0.480 nan 8.230 nan 0.000 0.432 256 R N -0.973 119.312 120.500 -0.358 0.000 2.115 256 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 256 R C 2.127 178.275 176.300 -0.253 0.000 1.111 256 R CA 1.171 57.055 56.100 -0.361 0.000 0.976 256 R CB -0.591 29.339 30.300 -0.618 0.000 0.870 256 R HN 0.544 nan 8.270 nan 0.000 0.445 257 G N 0.702 109.360 108.800 -0.237 0.000 2.421 257 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 257 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 257 G C 1.189 176.090 174.900 0.001 0.000 1.143 257 G CA 0.051 45.096 45.100 -0.091 0.000 0.784 257 G HN 0.159 nan 8.290 nan 0.000 0.541 258 L N 0.850 122.060 121.223 -0.022 0.000 2.127 258 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 258 L C 2.656 179.526 176.870 0.000 0.000 1.089 258 L CA 1.369 56.219 54.840 0.017 0.000 0.757 258 L CB -0.520 41.564 42.059 0.043 0.000 0.899 258 L HN 0.218 nan 8.230 nan 0.000 0.434 259 K N -1.088 119.293 120.400 -0.032 0.000 2.280 259 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 259 K C 1.336 177.926 176.600 -0.016 0.000 1.047 259 K CA 1.594 57.858 56.287 -0.040 0.000 0.942 259 K CB -0.205 32.251 32.500 -0.073 0.000 0.739 259 K HN 0.532 nan 8.250 nan 0.000 0.457 260 T N -2.192 112.368 114.554 0.010 0.000 3.132 260 T HA 0.135 4.485 4.350 -0.000 0.000 0.274 260 T C 1.419 176.135 174.700 0.027 0.000 1.011 260 T CA -0.374 61.738 62.100 0.021 0.000 0.899 260 T CB 0.102 68.996 68.868 0.043 0.000 1.089 260 T HN -0.045 nan 8.240 nan 0.000 0.543 261 L N 2.157 123.400 121.223 0.034 0.000 2.012 261 L HA 0.132 4.472 4.340 -0.000 0.000 0.210 261 L C -0.909 175.970 176.870 0.015 0.000 1.073 261 L CA 1.963 56.826 54.840 0.039 0.000 0.748 261 L CB -0.837 41.244 42.059 0.037 0.000 0.891 261 L HN 0.124 nan 8.230 nan 0.000 0.431 262 P HA -0.175 nan 4.420 nan 0.000 0.215 262 P C 1.925 179.215 177.300 -0.016 0.000 1.153 262 P CA 1.592 64.687 63.100 -0.008 0.000 0.853 262 P CB -0.019 31.678 31.700 -0.005 0.000 0.788 263 L N -1.251 119.961 121.223 -0.019 0.000 2.005 263 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 263 L C 2.679 179.509 176.870 -0.066 0.000 1.072 263 L CA 1.465 56.283 54.840 -0.037 0.000 0.744 263 L CB -0.816 41.221 42.059 -0.037 0.000 0.895 263 L HN -0.150 nan 8.230 nan 0.000 0.433 264 R N -0.394 120.064 120.500 -0.070 0.000 2.112 264 R HA -0.214 4.125 4.340 -0.000 0.000 0.242 264 R C 2.356 178.591 176.300 -0.107 0.000 1.137 264 R CA 1.619 57.634 56.100 -0.142 0.000 0.944 264 R CB -0.401 29.867 30.300 -0.053 0.000 0.857 264 R HN 0.246 nan 8.270 nan 0.000 0.435 265 M N 0.035 119.646 119.600 0.017 0.000 2.080 265 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 265 M C 2.155 178.461 176.300 0.010 0.000 1.068 265 M CA 1.603 56.925 55.300 0.035 0.000 1.109 265 M CB -0.928 31.654 32.600 -0.029 0.000 1.342 265 M HN 0.016 nan 8.290 nan 0.000 0.405 266 R N 0.321 120.807 120.500 -0.022 0.000 2.097 266 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 266 R C 2.231 178.521 176.300 -0.016 0.000 1.135 266 R CA 2.342 58.429 56.100 -0.021 0.000 0.934 266 R CB -0.783 29.499 30.300 -0.030 0.000 0.846 266 R HN 0.387 nan 8.270 nan 0.000 0.431 267 A N -0.052 122.727 122.820 -0.068 0.000 1.883 267 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 267 A C 2.030 179.581 177.584 -0.055 0.000 1.186 267 A CA 1.844 53.822 52.037 -0.098 0.000 0.624 267 A CB -0.947 17.941 19.000 -0.187 0.000 0.822 267 A HN 0.498 nan 8.150 nan 0.000 0.444 268 H N -0.488 118.589 119.070 0.012 0.000 2.319 268 H HA -0.167 4.389 4.556 0.000 0.000 0.299 268 H C 2.496 177.860 175.328 0.059 0.000 1.092 268 H CA 1.612 57.685 56.048 0.042 0.000 1.302 268 H CB -0.908 28.896 29.762 0.071 0.000 1.373 268 H HN 0.554 nan 8.280 nan 0.000 0.497 269 C N 0.969 120.374 119.300 0.175 0.000 2.436 269 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 269 C C 2.698 177.777 174.990 0.148 0.000 1.241 269 C CA 0.837 59.958 59.018 0.172 0.000 1.721 269 C CB -0.695 27.105 27.740 0.102 0.000 2.043 269 C HN 0.623 nan 8.230 nan 0.000 0.472 270 E N 0.760 121.013 120.200 0.088 0.000 2.058 270 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 270 E C 1.750 178.382 176.600 0.053 0.000 0.997 270 E CA 1.450 57.890 56.400 0.065 0.000 0.801 270 E CB -0.398 29.320 29.700 0.030 0.000 0.746 270 E HN 0.707 nan 8.360 nan 0.000 0.450 271 N N 0.074 118.803 118.700 0.049 0.000 2.216 271 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 271 N C 1.844 177.370 175.510 0.027 0.000 1.017 271 N CA 0.598 53.669 53.050 0.035 0.000 0.861 271 N CB 0.002 38.514 38.487 0.041 0.000 0.986 271 N HN 0.086 nan 8.380 nan 0.000 0.428 272 A N 1.318 124.155 122.820 0.028 0.000 1.855 272 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 272 A C 2.109 179.462 177.584 -0.385 0.000 1.191 272 A CA 0.898 52.869 52.037 -0.111 0.000 0.613 272 A CB -0.872 18.125 19.000 -0.005 0.000 0.829 272 A HN 0.249 nan 8.150 nan 0.000 0.442 273 L N 0.042 121.104 121.223 -0.268 0.000 2.013 273 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 273 L C 2.645 179.469 176.870 -0.078 0.000 1.073 273 L CA 2.583 57.318 54.840 -0.174 0.000 0.753 273 L CB -0.891 41.280 42.059 0.186 0.000 0.890 273 L HN 0.371 nan 8.230 nan 0.000 0.432 274 A N -0.624 122.191 122.820 -0.009 0.000 1.877 274 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 274 A C 2.289 179.912 177.584 0.066 0.000 1.186 274 A CA 2.043 54.099 52.037 0.032 0.000 0.620 274 A CB -0.999 18.012 19.000 0.020 0.000 0.822 274 A HN 0.520 nan 8.150 nan 0.000 0.443 275 L N -0.787 120.463 121.223 0.045 0.000 2.083 275 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 275 L C 3.099 180.063 176.870 0.157 0.000 1.083 275 L CA 0.927 55.859 54.840 0.153 0.000 0.752 275 L CB -0.582 41.557 42.059 0.133 0.000 0.899 275 L HN 0.473 nan 8.230 nan 0.000 0.433 276 A N -0.169 122.626 122.820 -0.041 0.000 1.851 276 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 276 A C 2.192 179.786 177.584 0.016 0.000 1.195 276 A CA 1.784 53.778 52.037 -0.072 0.000 0.622 276 A CB -0.673 18.164 19.000 -0.272 0.000 0.831 276 A HN 0.460 nan 8.150 nan 0.000 0.444 277 Q N -2.065 117.757 119.800 0.035 0.000 2.133 277 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 277 Q C 1.961 178.027 176.000 0.109 0.000 0.991 277 Q CA 2.039 57.882 55.803 0.066 0.000 0.867 277 Q CB -0.352 28.435 28.738 0.082 0.000 0.911 277 Q HN 0.892 nan 8.270 nan 0.000 0.417 278 W N 1.129 122.416 121.300 -0.022 0.000 2.381 278 W HA -0.115 4.545 4.660 0.000 0.000 0.301 278 W C 1.559 178.079 176.519 0.002 0.000 1.205 278 W CA 1.060 58.402 57.345 -0.005 0.000 1.285 278 W CB -0.287 29.172 29.460 -0.003 0.000 1.133 278 W HN 0.025 nan 8.180 nan 0.000 0.521 279 L N 0.715 121.837 121.223 -0.169 0.000 2.275 279 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 279 L C 2.234 178.922 176.870 -0.302 0.000 1.119 279 L CA 1.263 55.857 54.840 -0.411 0.000 0.790 279 L CB -0.664 41.282 42.059 -0.188 0.000 0.919 279 L HN 0.015 nan 8.230 nan 0.000 0.443 280 E N -0.653 119.438 120.200 -0.181 0.000 2.401 280 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 280 E C 1.707 178.210 176.600 -0.161 0.000 1.023 280 E CA 1.493 57.815 56.400 -0.131 0.000 0.859 280 E CB 0.014 29.673 29.700 -0.069 0.000 0.780 280 E HN 0.538 nan 8.360 nan 0.000 0.523 281 T N -2.949 111.457 114.554 -0.248 0.000 3.105 281 T HA 0.008 4.358 4.350 -0.000 0.000 0.253 281 T C 0.181 174.713 174.700 -0.279 0.000 1.047 281 T CA -0.355 61.608 62.100 -0.228 0.000 0.944 281 T CB -0.106 68.645 68.868 -0.194 0.000 1.016 281 T HN 0.009 nan 8.240 nan 0.000 0.544 282 H N 3.224 122.036 119.070 -0.431 0.000 2.668 282 H HA 0.332 4.888 4.556 -0.000 0.000 0.303 282 H C -1.496 173.683 175.328 -0.247 0.000 1.074 282 H CA -1.829 53.978 56.048 -0.402 0.000 1.406 282 H CB 1.542 30.974 29.762 -0.549 0.000 1.442 282 H HN -0.037 nan 8.280 nan 0.000 0.482 283 P HA -0.119 nan 4.420 nan 0.000 0.234 283 P C 0.290 177.502 177.300 -0.146 0.000 1.162 283 P CA 0.982 63.925 63.100 -0.261 0.000 0.759 283 P CB 0.258 31.782 31.700 -0.293 0.000 0.813 284 A N -0.489 122.330 122.820 -0.001 0.000 2.390 284 A HA 0.353 4.673 4.320 -0.000 0.000 0.232 284 A C 0.859 178.424 177.584 -0.032 0.000 1.233 284 A CA -0.184 51.887 52.037 0.057 0.000 0.907 284 A CB -0.420 18.671 19.000 0.151 0.000 0.967 284 A HN 0.320 nan 8.150 nan 0.000 0.512 285 I N -2.890 117.646 120.570 -0.056 0.000 2.647 285 I HA 0.650 4.820 4.170 -0.000 0.000 0.295 285 I C 0.119 176.177 176.117 -0.098 0.000 1.078 285 I CA -0.600 60.627 61.300 -0.122 0.000 1.048 285 I CB 2.187 40.070 38.000 -0.195 0.000 1.239 285 I HN 0.171 nan 8.210 nan 0.000 0.421 286 E N 3.846 123.993 120.200 -0.088 0.000 2.473 286 E HA 0.381 4.731 4.350 -0.000 0.000 0.204 286 E C -0.090 176.476 176.600 -0.057 0.000 0.994 286 E CA -0.259 56.102 56.400 -0.066 0.000 0.945 286 E CB 0.550 30.220 29.700 -0.051 0.000 0.990 286 E HN 0.550 nan 8.360 nan 0.000 0.493 287 K N 0.718 121.082 120.400 -0.060 0.000 2.561 287 K HA 0.367 4.687 4.320 -0.000 0.000 0.254 287 K C -1.886 174.695 176.600 -0.032 0.000 0.942 287 K CA -0.707 55.557 56.287 -0.038 0.000 0.818 287 K CB 2.778 35.264 32.500 -0.023 0.000 1.306 287 K HN -0.057 nan 8.250 nan 0.000 0.435 288 V N 5.084 124.995 119.914 -0.006 0.000 2.350 288 V HA 0.398 4.518 4.120 -0.000 0.000 0.285 288 V C -0.309 175.847 176.094 0.103 0.000 1.014 288 V CA -0.858 61.459 62.300 0.029 0.000 0.831 288 V CB 1.045 32.874 31.823 0.011 0.000 1.000 288 V HN 0.584 nan 8.190 nan 0.000 0.433 289 I N 5.601 126.256 120.570 0.141 0.000 2.371 289 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 289 I C -0.632 175.695 176.117 0.350 0.000 1.028 289 I CA -0.044 61.399 61.300 0.238 0.000 1.345 289 I CB 0.605 38.730 38.000 0.209 0.000 1.407 289 I HN 0.616 nan 8.210 nan 0.000 0.501 290 Y N 8.107 128.531 120.300 0.207 0.000 2.333 290 Y HA 0.314 4.864 4.550 -0.000 0.000 0.319 290 Y C -2.353 173.457 175.900 -0.149 0.000 1.200 290 Y CA -1.866 56.275 58.100 0.068 0.000 1.084 290 Y CB 1.867 40.363 38.460 0.060 0.000 1.268 290 Y HN 0.384 nan 8.280 nan 0.000 0.422 291 P HA -0.128 nan 4.420 nan 0.000 0.219 291 P C 1.096 177.917 177.300 -0.798 0.000 1.144 291 P CA 2.364 64.857 63.100 -1.013 0.000 0.806 291 P CB 0.285 31.623 31.700 -0.603 0.000 0.771 292 G N -2.165 106.139 108.800 -0.827 0.000 3.126 292 G HA2 0.124 4.084 3.960 -0.000 0.000 0.224 292 G HA3 0.124 4.084 3.960 -0.000 0.000 0.224 292 G C 0.333 175.150 174.900 -0.139 0.000 1.142 292 G CA -0.202 44.267 45.100 -1.053 0.000 0.759 292 G HN 0.183 nan 8.290 nan 0.000 0.550 293 L N 1.107 122.375 121.223 0.075 0.000 2.426 293 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 293 L C 2.021 178.784 176.870 -0.178 0.000 1.169 293 L CA -0.416 54.438 54.840 0.023 0.000 0.836 293 L CB 1.374 43.507 42.059 0.122 0.000 1.112 293 L HN 0.174 nan 8.230 nan 0.000 0.465 294 A N 2.039 124.661 122.820 -0.330 0.000 1.908 294 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 294 A C 2.241 179.730 177.584 -0.159 0.000 1.181 294 A CA 1.983 53.773 52.037 -0.413 0.000 0.627 294 A CB -0.642 18.205 19.000 -0.256 0.000 0.818 294 A HN 0.884 nan 8.150 nan 0.000 0.445 295 S N -0.867 114.794 115.700 -0.064 0.000 2.500 295 S HA -0.139 4.331 4.470 -0.000 0.000 0.239 295 S C 0.737 175.361 174.600 0.040 0.000 0.989 295 S CA 0.715 58.909 58.200 -0.010 0.000 0.951 295 S CB -0.751 62.447 63.200 -0.004 0.000 0.759 295 S HN 0.724 nan 8.310 nan 0.000 0.523 296 H N 2.927 121.990 119.070 -0.012 0.000 2.819 296 H HA 0.286 4.842 4.556 0.000 0.000 0.303 296 H C -1.653 173.695 175.328 0.033 0.000 1.058 296 H CA -1.513 54.549 56.048 0.022 0.000 1.471 296 H CB 0.800 30.579 29.762 0.030 0.000 1.480 296 H HN -0.066 nan 8.280 nan 0.000 0.517 297 P HA -0.259 nan 4.420 nan 0.000 0.222 297 P C 0.112 177.439 177.300 0.046 0.000 1.157 297 P CA 1.880 64.910 63.100 -0.116 0.000 0.905 297 P CB 0.182 31.736 31.700 -0.244 0.000 0.792 298 Q N -3.395 116.542 119.800 0.227 0.000 2.186 298 Q HA 0.073 4.413 4.340 -0.000 0.000 0.241 298 Q C 1.268 177.421 176.000 0.255 0.000 0.849 298 Q CA -0.197 55.761 55.803 0.258 0.000 1.053 298 Q CB -0.286 28.581 28.738 0.215 0.000 1.146 298 Q HN 0.356 nan 8.270 nan 0.000 0.475 299 H N 0.573 119.748 119.070 0.176 0.000 2.362 299 H HA -0.211 4.345 4.556 -0.000 0.000 0.294 299 H C 1.634 176.966 175.328 0.007 0.000 1.113 299 H CA 2.315 58.359 56.048 -0.006 0.000 1.253 299 H CB 0.144 29.884 29.762 -0.036 0.000 1.363 299 H HN 0.127 nan 8.280 nan 0.000 0.494 300 V N 0.103 120.059 119.914 0.071 0.000 2.343 300 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 300 V C 2.573 178.660 176.094 -0.011 0.000 1.051 300 V CA 1.566 63.883 62.300 0.028 0.000 1.036 300 V CB -0.764 31.103 31.823 0.073 0.000 0.654 300 V HN 0.374 nan 8.190 nan 0.000 0.451 301 L N 0.970 122.201 121.223 0.013 0.000 2.017 301 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 301 L C 2.517 179.387 176.870 0.000 0.000 1.073 301 L CA 2.329 57.177 54.840 0.013 0.000 0.745 301 L CB -1.172 40.906 42.059 0.032 0.000 0.894 301 L HN 0.232 nan 8.230 nan 0.000 0.432 302 A N -0.597 122.211 122.820 -0.019 0.000 1.884 302 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 302 A C 2.481 180.168 177.584 0.170 0.000 1.197 302 A CA 2.336 54.399 52.037 0.043 0.000 0.637 302 A CB -0.776 18.187 19.000 -0.062 0.000 0.827 302 A HN 0.494 nan 8.150 nan 0.000 0.450 303 K N -1.369 119.089 120.400 0.096 0.000 2.211 303 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 303 K C 2.318 178.940 176.600 0.038 0.000 1.047 303 K CA 1.270 57.640 56.287 0.137 0.000 0.935 303 K CB -0.087 32.398 32.500 -0.024 0.000 0.728 303 K HN 0.354 nan 8.250 nan 0.000 0.452 304 R N 0.422 120.929 120.500 0.012 0.000 2.156 304 R HA -0.044 4.296 4.340 -0.000 0.000 0.207 304 R C 2.057 178.348 176.300 -0.015 0.000 1.040 304 R CA 1.257 57.358 56.100 0.000 0.000 1.013 304 R CB 0.255 30.559 30.300 0.007 0.000 0.931 304 R HN 0.433 nan 8.270 nan 0.000 0.465 305 Q N -0.905 118.884 119.800 -0.019 0.000 2.396 305 Q HA 0.174 4.514 4.340 -0.000 0.000 0.220 305 Q C 0.112 176.079 176.000 -0.055 0.000 0.900 305 Q CA 0.153 55.937 55.803 -0.030 0.000 0.925 305 Q CB 0.367 29.092 28.738 -0.022 0.000 1.065 305 Q HN 0.058 nan 8.270 nan 0.000 0.535 306 M N 1.380 120.932 119.600 -0.080 0.000 2.180 306 M HA 0.382 4.862 4.480 -0.000 0.000 0.350 306 M C 0.181 176.328 176.300 -0.255 0.000 1.125 306 M CA -0.522 54.690 55.300 -0.146 0.000 1.031 306 M CB 1.952 34.463 32.600 -0.148 0.000 1.623 306 M HN -0.040 nan 8.290 nan 0.000 0.451 307 S N 1.571 117.139 115.700 -0.220 0.000 2.442 307 S HA 0.069 4.539 4.470 -0.000 0.000 0.236 307 S C 0.849 175.220 174.600 -0.382 0.000 1.007 307 S CA 0.819 58.876 58.200 -0.239 0.000 0.965 307 S CB -0.172 62.938 63.200 -0.149 0.000 0.773 307 S HN 0.954 nan 8.310 nan 0.000 0.504 308 G N -0.559 107.945 108.800 -0.493 0.000 2.646 308 G HA2 0.532 4.492 3.960 -0.000 0.000 0.291 308 G HA3 0.532 4.492 3.960 -0.000 0.000 0.291 308 G C -0.827 173.733 174.900 -0.566 0.000 1.445 308 G CA -0.888 43.848 45.100 -0.606 0.000 0.814 308 G HN 0.108 nan 8.290 nan 0.000 0.495 309 F N 1.329 121.264 119.950 -0.026 0.000 2.660 309 F HA 0.510 5.037 4.527 0.000 0.000 0.297 309 F C 1.541 177.232 175.800 -0.181 0.000 1.132 309 F CA 0.030 57.924 58.000 -0.176 0.000 1.372 309 F CB 0.248 39.060 39.000 -0.313 0.000 1.003 309 F HN 1.076 nan 8.300 nan 0.000 0.524 310 G N 0.260 109.095 108.800 0.058 0.000 2.781 310 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.683 310 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.683 310 G C 0.798 175.824 174.900 0.209 0.000 1.390 310 G CA -0.532 44.589 45.100 0.035 0.000 0.850 310 G HN 0.545 nan 8.290 nan 0.000 0.557 311 G N -1.012 107.842 108.800 0.091 0.000 2.986 311 G HA2 0.459 4.419 3.960 -0.000 0.000 0.213 311 G HA3 0.459 4.419 3.960 -0.000 0.000 0.213 311 G C 0.576 175.590 174.900 0.190 0.000 1.156 311 G CA 0.412 45.610 45.100 0.164 0.000 0.763 311 G HN 0.740 nan 8.290 nan 0.000 0.547 312 I N 1.435 122.121 120.570 0.193 0.000 2.342 312 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 312 I C -0.563 175.751 176.117 0.327 0.000 1.010 312 I CA -0.357 61.039 61.300 0.159 0.000 1.308 312 I CB 2.116 40.116 38.000 0.001 0.000 1.400 312 I HN -0.269 nan 8.210 nan 0.000 0.488 313 V N 5.660 125.726 119.914 0.255 0.000 2.444 313 V HA 0.364 4.484 4.120 -0.000 0.000 0.294 313 V C -0.180 176.024 176.094 0.183 0.000 1.022 313 V CA -0.439 62.018 62.300 0.261 0.000 0.850 313 V CB 1.781 33.670 31.823 0.110 0.000 0.992 313 V HN 0.714 nan 8.190 nan 0.000 0.426 314 S N 6.052 121.867 115.700 0.192 0.000 2.462 314 S HA 0.735 5.205 4.470 -0.000 0.000 0.294 314 S C -0.310 174.335 174.600 0.075 0.000 1.144 314 S CA -0.413 57.867 58.200 0.132 0.000 1.088 314 S CB 0.794 64.084 63.200 0.150 0.000 1.009 314 S HN 0.649 nan 8.310 nan 0.000 0.484 315 I N 1.017 121.596 120.570 0.016 0.000 2.569 315 I HA 0.841 5.011 4.170 -0.000 0.000 0.296 315 I C -0.529 175.545 176.117 -0.071 0.000 1.028 315 I CA -1.211 60.057 61.300 -0.054 0.000 1.082 315 I CB 1.819 39.731 38.000 -0.146 0.000 1.264 315 I HN 0.362 nan 8.210 nan 0.000 0.429 316 V N 6.797 126.668 119.914 -0.072 0.000 2.495 316 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 316 V C -0.939 175.092 176.094 -0.106 0.000 1.031 316 V CA -0.561 61.698 62.300 -0.068 0.000 0.871 316 V CB 1.817 33.628 31.823 -0.021 0.000 0.988 316 V HN 0.770 nan 8.190 nan 0.000 0.432 317 L N 6.929 128.080 121.223 -0.120 0.000 2.262 317 L HA 0.466 4.806 4.340 -0.000 0.000 0.288 317 L C 1.476 178.293 176.870 -0.088 0.000 1.035 317 L CA -0.574 54.175 54.840 -0.151 0.000 0.820 317 L CB 1.476 43.407 42.059 -0.214 0.000 1.204 317 L HN 0.835 nan 8.230 nan 0.000 0.424 318 K N 2.754 123.108 120.400 -0.077 0.000 2.163 318 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 318 K C 1.570 178.151 176.600 -0.031 0.000 1.048 318 K CA 1.807 58.065 56.287 -0.048 0.000 0.928 318 K CB -0.074 32.397 32.500 -0.050 0.000 0.716 318 K HN 0.867 nan 8.250 nan 0.000 0.459 319 G N 0.655 109.433 108.800 -0.037 0.000 3.061 319 G HA2 0.234 4.194 3.960 -0.000 0.000 0.208 319 G HA3 0.234 4.194 3.960 -0.000 0.000 0.208 319 G C 0.516 175.421 174.900 0.009 0.000 1.175 319 G CA 0.357 45.448 45.100 -0.014 0.000 0.812 319 G HN 0.538 nan 8.290 nan 0.000 0.523 320 G N -0.780 108.028 108.800 0.015 0.000 2.877 320 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.279 320 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.279 320 G C 0.531 175.494 174.900 0.105 0.000 1.431 320 G CA 0.007 45.150 45.100 0.071 0.000 0.883 320 G HN 0.747 nan 8.290 nan 0.000 0.547 321 F N 0.349 120.321 119.950 0.037 0.000 2.118 321 F HA -0.262 4.265 4.527 0.000 0.000 0.297 321 F C 2.170 178.015 175.800 0.075 0.000 1.061 321 F CA 3.106 61.164 58.000 0.097 0.000 1.268 321 F CB -0.028 39.043 39.000 0.119 0.000 1.019 321 F HN 0.518 nan 8.300 nan 0.000 0.492 322 D N 0.052 120.564 120.400 0.188 0.000 2.117 322 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 322 D C 2.383 178.659 176.300 -0.040 0.000 0.982 322 D CA 1.403 55.447 54.000 0.074 0.000 0.828 322 D CB -0.445 40.435 40.800 0.134 0.000 0.967 322 D HN 0.430 nan 8.370 nan 0.000 0.464 323 A N 0.956 123.757 122.820 -0.032 0.000 1.930 323 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 323 A C 2.289 179.811 177.584 -0.102 0.000 1.175 323 A CA 1.928 53.934 52.037 -0.051 0.000 0.627 323 A CB -0.534 18.438 19.000 -0.048 0.000 0.815 323 A HN 0.226 nan 8.150 nan 0.000 0.443 324 A N -0.497 122.203 122.820 -0.199 0.000 1.969 324 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 324 A C 2.119 179.453 177.584 -0.417 0.000 1.169 324 A CA 1.828 53.655 52.037 -0.350 0.000 0.635 324 A CB -0.356 18.318 19.000 -0.545 0.000 0.810 324 A HN 0.508 nan 8.150 nan 0.000 0.445 325 K N -0.765 119.392 120.400 -0.405 0.000 2.167 325 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 325 K C 2.235 178.763 176.600 -0.121 0.000 1.052 325 K CA 0.730 56.853 56.287 -0.274 0.000 0.956 325 K CB -0.105 32.188 32.500 -0.344 0.000 0.735 325 K HN 0.369 nan 8.250 nan 0.000 0.451 326 R N -0.550 119.904 120.500 -0.077 0.000 2.148 326 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 326 R C 2.060 178.376 176.300 0.028 0.000 1.088 326 R CA 0.809 56.899 56.100 -0.016 0.000 0.985 326 R CB -0.109 30.193 30.300 0.003 0.000 0.880 326 R HN 0.166 nan 8.270 nan 0.000 0.451 327 F N 0.552 120.418 119.950 -0.140 0.000 2.074 327 F HA -0.211 4.316 4.527 -0.000 0.000 0.293 327 F C 2.086 177.815 175.800 -0.118 0.000 1.116 327 F CA 1.177 59.096 58.000 -0.136 0.000 1.212 327 F CB -0.687 38.205 39.000 -0.180 0.000 0.998 327 F HN -0.060 nan 8.300 nan 0.000 0.471 328 C N 0.753 119.944 119.300 -0.182 0.000 2.403 328 C HA -0.206 4.254 4.460 -0.000 0.000 0.282 328 C C 2.447 177.327 174.990 -0.184 0.000 1.297 328 C CA 1.504 60.380 59.018 -0.236 0.000 1.785 328 C CB -1.592 26.099 27.740 -0.082 0.000 1.963 328 C HN 0.542 nan 8.230 nan 0.000 0.507 329 E N -0.235 119.889 120.200 -0.127 0.000 2.474 329 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 329 E C 1.969 178.514 176.600 -0.092 0.000 1.041 329 E CA 0.296 56.646 56.400 -0.083 0.000 0.874 329 E CB 0.144 29.817 29.700 -0.046 0.000 0.914 329 E HN 0.476 nan 8.360 nan 0.000 0.498 330 K N 0.535 120.852 120.400 -0.138 0.000 2.313 330 K HA 0.019 4.338 4.320 -0.000 0.000 0.197 330 K C 0.208 176.723 176.600 -0.141 0.000 1.061 330 K CA 0.438 56.659 56.287 -0.110 0.000 0.980 330 K CB 0.314 32.771 32.500 -0.072 0.000 0.888 330 K HN 0.029 nan 8.250 nan 0.000 0.502 331 T N 0.092 114.486 114.554 -0.267 0.000 2.908 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.301 331 T C 0.550 175.203 174.700 -0.078 0.000 1.019 331 T CA 0.077 62.050 62.100 -0.211 0.000 1.152 331 T CB 1.007 69.701 68.868 -0.291 0.000 0.966 331 T HN 0.215 nan 8.240 nan 0.000 0.540 332 E N 1.261 121.448 120.200 -0.021 0.000 2.330 332 E HA 0.184 4.534 4.350 -0.000 0.000 0.200 332 E C 1.845 178.443 176.600 -0.003 0.000 0.922 332 E CA 0.023 56.415 56.400 -0.013 0.000 0.935 332 E CB 0.105 29.797 29.700 -0.013 0.000 0.917 332 E HN 0.618 nan 8.360 nan 0.000 0.491 333 L N 0.014 121.256 121.223 0.032 0.000 2.168 333 L HA 0.131 4.471 4.340 -0.000 0.000 0.203 333 L C 0.314 177.131 176.870 -0.089 0.000 1.078 333 L CA 0.120 54.942 54.840 -0.029 0.000 0.780 333 L CB -0.006 42.026 42.059 -0.045 0.000 0.939 333 L HN 0.018 nan 8.230 nan 0.000 0.451 334 F N 0.718 120.613 119.950 -0.092 0.000 2.495 334 F HA 0.139 4.666 4.527 0.000 0.000 0.365 334 F C 0.652 176.387 175.800 -0.108 0.000 1.090 334 F CA -0.041 57.902 58.000 -0.096 0.000 1.235 334 F CB 0.433 39.359 39.000 -0.122 0.000 1.119 334 F HN -0.202 nan 8.300 nan 0.000 0.562 335 T N 4.818 119.398 114.554 0.042 0.000 2.823 335 T HA 0.375 4.725 4.350 -0.000 0.000 0.279 335 T C -0.732 173.977 174.700 0.015 0.000 0.998 335 T CA -0.582 61.519 62.100 0.002 0.000 0.994 335 T CB 1.394 70.245 68.868 -0.028 0.000 0.960 335 T HN 0.378 nan 8.240 nan 0.000 0.448 336 L N 4.077 125.301 121.223 0.001 0.000 2.312 336 L HA 0.682 5.022 4.340 -0.000 0.000 0.287 336 L C -0.071 176.807 176.870 0.014 0.000 1.091 336 L CA 0.224 55.069 54.840 0.008 0.000 0.846 336 L CB -1.323 40.732 42.059 -0.007 0.000 1.219 336 L HN 0.852 nan 8.230 nan 0.000 0.439 337 A N 3.886 126.719 122.820 0.022 0.000 2.535 337 A HA 0.637 4.957 4.320 -0.000 0.000 0.296 337 A C 0.285 177.888 177.584 0.032 0.000 1.248 337 A CA -0.399 51.650 52.037 0.020 0.000 0.686 337 A CB 0.817 19.820 19.000 0.004 0.000 1.315 337 A HN 0.599 nan 8.150 nan 0.000 0.460 338 E N -0.443 119.775 120.200 0.031 0.000 2.511 338 E HA 0.205 4.555 4.350 -0.000 0.000 0.209 338 E C 0.634 177.260 176.600 0.045 0.000 0.986 338 E CA 0.098 56.527 56.400 0.049 0.000 0.974 338 E CB 0.755 30.489 29.700 0.057 0.000 1.030 338 E HN 0.470 nan 8.360 nan 0.000 0.490 339 S N -0.219 115.487 115.700 0.010 0.000 2.552 339 S HA 0.586 5.056 4.470 -0.000 0.000 0.271 339 S C -0.444 174.110 174.600 -0.076 0.000 1.168 339 S CA -0.504 57.682 58.200 -0.023 0.000 1.026 339 S CB 0.423 63.598 63.200 -0.042 0.000 1.120 339 S HN 0.182 nan 8.310 nan 0.000 0.514 340 L N -4.022 117.097 121.223 -0.174 0.000 2.947 340 L HA 0.804 5.144 4.340 -0.000 0.000 0.272 340 L C 0.638 177.185 176.870 -0.537 0.000 1.071 340 L CA -0.225 54.428 54.840 -0.312 0.000 0.987 340 L CB 0.235 42.086 42.059 -0.346 0.000 1.577 340 L HN 0.822 nan 8.230 nan 0.000 0.373 341 G N -1.308 106.935 108.800 -0.927 0.000 2.189 341 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.267 341 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.267 341 G C 0.571 175.085 174.900 -0.643 0.000 0.975 341 G CA 0.494 44.653 45.100 -1.569 0.000 0.644 341 G HN 1.422 nan 8.290 nan 0.000 0.537 342 G N -1.124 107.451 108.800 -0.375 0.000 2.614 342 G HA2 0.461 4.421 3.960 -0.000 0.000 0.239 342 G HA3 0.461 4.421 3.960 -0.000 0.000 0.239 342 G C 1.218 176.076 174.900 -0.070 0.000 1.240 342 G CA 0.353 45.339 45.100 -0.190 0.000 0.842 342 G HN 0.807 nan 8.290 nan 0.000 0.584 343 V N 0.824 120.674 119.914 -0.106 0.000 2.407 343 V HA -0.041 4.079 4.120 -0.000 0.000 0.248 343 V C 1.302 177.349 176.094 -0.079 0.000 1.055 343 V CA 1.901 64.137 62.300 -0.105 0.000 1.049 343 V CB -0.620 31.017 31.823 -0.311 0.000 0.662 343 V HN 0.799 nan 8.190 nan 0.000 0.455 344 E N 0.559 120.696 120.200 -0.106 0.000 2.373 344 E HA 0.229 4.579 4.350 -0.000 0.000 0.267 344 E C 0.150 176.654 176.600 -0.161 0.000 1.032 344 E CA 0.044 56.367 56.400 -0.127 0.000 0.889 344 E CB 0.435 30.068 29.700 -0.112 0.000 0.984 344 E HN 0.177 nan 8.360 nan 0.000 0.425 345 S N 1.900 117.437 115.700 -0.273 0.000 2.537 345 S HA 0.192 4.662 4.470 -0.000 0.000 0.286 345 S C -0.162 174.270 174.600 -0.280 0.000 1.299 345 S CA -0.253 57.669 58.200 -0.464 0.000 1.067 345 S CB -0.036 62.498 63.200 -1.110 0.000 0.864 345 S HN 0.294 nan 8.310 nan 0.000 0.494 346 L N 3.076 124.233 121.223 -0.109 0.000 2.371 346 L HA 0.765 5.105 4.340 -0.000 0.000 0.262 346 L C -0.514 176.488 176.870 0.220 0.000 1.006 346 L CA -0.851 54.010 54.840 0.035 0.000 0.818 346 L CB 1.915 43.958 42.059 -0.026 0.000 1.354 346 L HN 0.363 nan 8.230 nan 0.000 0.415 347 V N 2.120 122.138 119.914 0.173 0.000 2.823 347 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 347 V C -1.273 174.880 176.094 0.099 0.000 1.072 347 V CA -0.341 62.052 62.300 0.154 0.000 0.937 347 V CB 2.328 34.198 31.823 0.078 0.000 1.013 347 V HN 0.901 nan 8.190 nan 0.000 0.430 348 N N 2.644 121.413 118.700 0.114 0.000 2.260 348 N HA 0.387 5.127 4.740 -0.000 0.000 0.293 348 N C -1.631 173.984 175.510 0.175 0.000 1.058 348 N CA -0.581 52.543 53.050 0.125 0.000 0.824 348 N CB 1.728 40.285 38.487 0.116 0.000 1.551 348 N HN 0.965 nan 8.380 nan 0.000 0.475 349 H N 4.758 123.857 119.070 0.047 0.000 2.680 349 H HA 0.267 4.823 4.556 -0.000 0.000 0.260 349 H C -1.791 173.570 175.328 0.054 0.000 1.328 349 H CA -2.328 53.743 56.048 0.040 0.000 1.269 349 H CB 1.181 30.940 29.762 -0.005 0.000 1.446 349 H HN 0.498 nan 8.280 nan 0.000 0.527 350 P HA -0.233 nan 4.420 nan 0.000 0.216 350 P C 1.292 178.577 177.300 -0.025 0.000 1.157 350 P CA 1.824 64.966 63.100 0.070 0.000 0.880 350 P CB 0.178 31.936 31.700 0.096 0.000 0.791 351 A N -1.292 121.481 122.820 -0.079 0.000 2.125 351 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 351 A C 2.170 179.658 177.584 -0.159 0.000 1.156 351 A CA 1.390 53.362 52.037 -0.108 0.000 0.671 351 A CB -1.260 17.739 19.000 -0.002 0.000 0.794 351 A HN 0.111 nan 8.150 nan 0.000 0.459 352 V N -1.330 118.407 119.914 -0.296 0.000 2.949 352 V HA -0.005 4.115 4.120 -0.000 0.000 0.245 352 V C 1.994 178.055 176.094 -0.055 0.000 1.086 352 V CA 1.376 63.601 62.300 -0.125 0.000 1.097 352 V CB -0.272 31.483 31.823 -0.114 0.000 0.762 352 V HN 0.536 nan 8.190 nan 0.000 0.470 353 M N -1.155 118.418 119.600 -0.046 0.000 1.933 353 M HA 0.247 4.727 4.480 -0.000 0.000 0.179 353 M C 1.190 177.487 176.300 -0.004 0.000 1.460 353 M CA 0.898 56.197 55.300 -0.001 0.000 1.350 353 M CB -0.331 32.288 32.600 0.031 0.000 0.864 353 M HN 0.180 nan 8.290 nan 0.000 0.612 364 E N 4.111 124.262 120.200 -0.082 0.000 2.159 364 E HA 0.069 4.419 4.350 -0.000 0.000 0.272 364 E C 0.245 176.782 176.600 -0.104 0.000 1.138 364 E CA -0.254 56.100 56.400 -0.076 0.000 0.915 364 E CB 0.648 30.320 29.700 -0.048 0.000 1.028 364 E HN 0.490 nan 8.360 nan 0.000 0.423 365 Q N 4.025 123.755 119.800 -0.117 0.000 2.455 365 Q HA 0.092 4.432 4.340 -0.000 0.000 0.184 365 Q C -0.298 175.654 176.000 -0.080 0.000 1.145 365 Q CA -0.231 55.493 55.803 -0.133 0.000 1.123 365 Q CB -0.190 28.469 28.738 -0.132 0.000 2.291 365 Q HN 0.511 nan 8.270 nan 0.000 0.584 366 L N -1.083 120.102 121.223 -0.063 0.000 2.695 366 L HA 0.460 4.800 4.340 -0.000 0.000 0.211 366 L C 1.725 178.585 176.870 -0.017 0.000 1.839 366 L CA 1.015 55.836 54.840 -0.032 0.000 2.948 366 L CB -0.837 41.210 42.059 -0.020 0.000 2.799 366 L HN 0.816 nan 8.230 nan 0.000 0.731 367 G N 0.436 109.232 108.800 -0.005 0.000 2.615 367 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.213 367 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.213 367 G C 0.629 175.538 174.900 0.014 0.000 1.135 367 G CA 0.199 45.301 45.100 0.004 0.000 0.772 367 G HN 0.360 nan 8.290 nan 0.000 0.542 368 I N 1.970 122.548 120.570 0.012 0.000 2.455 368 I HA 0.056 4.226 4.170 -0.000 0.000 0.303 368 I C 0.947 177.086 176.117 0.036 0.000 1.180 368 I CA -0.252 61.065 61.300 0.029 0.000 1.469 368 I CB 0.120 38.132 38.000 0.020 0.000 1.480 368 I HN -0.050 nan 8.210 nan 0.000 0.669 369 S N 3.726 119.455 115.700 0.047 0.000 2.549 369 S HA -0.034 4.436 4.470 -0.000 0.000 0.286 369 S C 1.065 175.732 174.600 0.111 0.000 1.314 369 S CA -0.635 57.602 58.200 0.061 0.000 1.062 369 S CB 0.390 63.621 63.200 0.051 0.000 0.865 369 S HN 0.704 nan 8.310 nan 0.000 0.498 370 D N 3.097 123.580 120.400 0.138 0.000 2.332 370 D HA 0.150 4.790 4.640 -0.000 0.000 0.244 370 D C 0.920 177.462 176.300 0.403 0.000 1.136 370 D CA 0.469 54.630 54.000 0.268 0.000 0.884 370 D CB -0.215 40.730 40.800 0.243 0.000 0.906 370 D HN 0.401 nan 8.370 nan 0.000 0.520 371 A N 0.010 122.963 122.820 0.222 0.000 2.348 371 A HA 0.317 4.637 4.320 -0.000 0.000 0.224 371 A C 0.606 178.211 177.584 0.035 0.000 1.227 371 A CA -0.382 51.735 52.037 0.132 0.000 0.885 371 A CB -0.205 18.841 19.000 0.077 0.000 0.933 371 A HN 0.337 nan 8.150 nan 0.000 0.506 372 L N 0.110 121.387 121.223 0.091 0.000 2.334 372 L HA 0.718 5.058 4.340 -0.000 0.000 0.277 372 L C -0.378 176.530 176.870 0.064 0.000 1.075 372 L CA -1.126 53.743 54.840 0.048 0.000 0.804 372 L CB 1.229 43.328 42.059 0.068 0.000 1.174 372 L HN 0.276 nan 8.230 nan 0.000 0.438 373 V N 2.547 122.461 119.914 0.001 0.000 2.604 373 V HA 0.686 4.806 4.120 -0.000 0.000 0.305 373 V C -0.304 175.840 176.094 0.084 0.000 1.043 373 V CA -0.862 61.467 62.300 0.048 0.000 0.888 373 V CB 1.475 33.319 31.823 0.035 0.000 0.995 373 V HN 1.128 nan 8.190 nan 0.000 0.429 374 R N 5.133 125.707 120.500 0.123 0.000 2.202 374 R HA 0.652 4.992 4.340 -0.000 0.000 0.334 374 R C -1.228 175.153 176.300 0.135 0.000 1.036 374 R CA -0.592 55.587 56.100 0.131 0.000 0.878 374 R CB 0.890 31.278 30.300 0.146 0.000 1.067 374 R HN 0.912 nan 8.270 nan 0.000 0.457 375 L N 3.525 124.832 121.223 0.141 0.000 2.264 375 L HA 0.303 4.643 4.340 -0.000 0.000 0.289 375 L C 0.177 177.157 176.870 0.185 0.000 1.044 375 L CA -0.607 54.351 54.840 0.196 0.000 0.807 375 L CB 1.828 43.996 42.059 0.181 0.000 1.192 375 L HN 0.628 nan 8.230 nan 0.000 0.425 376 S N 3.427 119.229 115.700 0.170 0.000 2.543 376 S HA 0.339 4.809 4.470 -0.000 0.000 0.299 376 S C -0.222 174.422 174.600 0.074 0.000 1.125 376 S CA -0.623 57.595 58.200 0.029 0.000 1.098 376 S CB 0.288 63.432 63.200 -0.094 0.000 1.063 376 S HN 0.328 nan 8.310 nan 0.000 0.493 377 V N 5.726 125.724 119.914 0.139 0.000 2.479 377 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 377 V C 1.543 177.721 176.094 0.140 0.000 1.031 377 V CA 0.349 62.737 62.300 0.147 0.000 1.038 377 V CB 0.533 32.483 31.823 0.212 0.000 0.981 377 V HN 0.903 nan 8.190 nan 0.000 0.478 378 G N 4.171 112.963 108.800 -0.014 0.000 2.485 378 G HA2 0.340 4.300 3.960 -0.000 0.000 0.260 378 G HA3 0.340 4.300 3.960 -0.000 0.000 0.260 378 G C 0.683 175.609 174.900 0.042 0.000 1.459 378 G CA -0.059 45.095 45.100 0.090 0.000 1.060 378 G HN 0.921 nan 8.290 nan 0.000 0.546 379 I N -1.760 118.735 120.570 -0.126 0.000 3.976 379 I HA 0.297 4.467 4.170 -0.000 0.000 0.337 379 I C 0.596 176.629 176.117 -0.140 0.000 1.359 379 I CA -0.313 60.863 61.300 -0.208 0.000 1.098 379 I CB 0.027 37.834 38.000 -0.321 0.000 1.027 379 I HN 0.310 nan 8.210 nan 0.000 0.394 380 E N 2.011 122.134 120.200 -0.128 0.000 2.435 380 E HA -0.066 4.284 4.350 -0.000 0.000 0.256 380 E C -0.614 175.933 176.600 -0.089 0.000 1.245 380 E CA -0.340 55.994 56.400 -0.110 0.000 0.989 380 E CB 0.368 29.995 29.700 -0.122 0.000 0.983 380 E HN 0.319 nan 8.360 nan 0.000 0.480 381 D N -0.163 120.192 120.400 -0.075 0.000 2.487 381 D HA -0.090 4.550 4.640 -0.000 0.000 0.243 381 D C 1.157 177.420 176.300 -0.063 0.000 1.154 381 D CA 0.124 54.086 54.000 -0.063 0.000 0.876 381 D CB 0.421 41.188 40.800 -0.057 0.000 1.161 381 D HN 0.557 nan 8.370 nan 0.000 0.478 382 L N 3.720 124.907 121.223 -0.060 0.000 2.042 382 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 382 L C 1.935 178.750 176.870 -0.091 0.000 1.076 382 L CA 2.110 56.912 54.840 -0.063 0.000 0.749 382 L CB -0.588 41.436 42.059 -0.057 0.000 0.893 382 L HN 0.600 nan 8.230 nan 0.000 0.432 383 G N -0.843 107.902 108.800 -0.093 0.000 2.408 383 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 383 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 383 G C 1.126 175.969 174.900 -0.096 0.000 1.150 383 G CA 0.801 45.834 45.100 -0.112 0.000 0.776 383 G HN 0.412 nan 8.290 nan 0.000 0.542 384 D N 0.265 120.625 120.400 -0.066 0.000 2.178 384 D HA -0.011 4.629 4.640 -0.000 0.000 0.202 384 D C 2.612 178.899 176.300 -0.022 0.000 0.974 384 D CA 0.286 54.259 54.000 -0.046 0.000 0.841 384 D CB -0.037 40.736 40.800 -0.045 0.000 0.953 384 D HN 0.268 nan 8.370 nan 0.000 0.478 385 L N 0.220 121.433 121.223 -0.017 0.000 2.072 385 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 385 L C 2.629 179.539 176.870 0.067 0.000 1.079 385 L CA 0.707 55.596 54.840 0.082 0.000 0.752 385 L CB -0.291 41.820 42.059 0.085 0.000 0.906 385 L HN -0.027 nan 8.230 nan 0.000 0.436 386 R N 0.498 120.930 120.500 -0.114 0.000 2.096 386 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 386 R C 2.109 178.285 176.300 -0.207 0.000 1.139 386 R CA 1.828 57.712 56.100 -0.359 0.000 0.952 386 R CB -0.549 29.370 30.300 -0.634 0.000 0.854 386 R HN 0.370 nan 8.270 nan 0.000 0.436 387 G N -0.553 108.180 108.800 -0.111 0.000 2.559 387 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 387 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 387 G C 0.880 175.799 174.900 0.031 0.000 1.126 387 G CA 0.840 45.922 45.100 -0.031 0.000 0.778 387 G HN 0.459 nan 8.290 nan 0.000 0.543 388 D N -0.372 120.063 120.400 0.058 0.000 2.149 388 D HA -0.026 4.614 4.640 -0.000 0.000 0.206 388 D C 2.376 178.733 176.300 0.095 0.000 0.967 388 D CA 0.135 54.188 54.000 0.088 0.000 0.848 388 D CB -0.018 40.880 40.800 0.163 0.000 0.998 388 D HN 0.051 nan 8.370 nan 0.000 0.474 389 L N 1.048 122.350 121.223 0.131 0.000 1.989 389 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 389 L C 2.311 179.319 176.870 0.229 0.000 1.071 389 L CA 1.658 56.624 54.840 0.211 0.000 0.749 389 L CB -1.266 40.950 42.059 0.261 0.000 0.890 389 L HN 0.140 nan 8.230 nan 0.000 0.431 390 E N 0.221 120.569 120.200 0.246 0.000 2.086 390 E HA -0.260 4.090 4.350 -0.000 0.000 0.200 390 E C 2.057 178.763 176.600 0.177 0.000 1.012 390 E CA 1.597 58.153 56.400 0.259 0.000 0.812 390 E CB -0.148 29.697 29.700 0.241 0.000 0.743 390 E HN 0.363 nan 8.360 nan 0.000 0.453 391 R N -0.179 120.398 120.500 0.129 0.000 2.343 391 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 391 R C 0.083 176.443 176.300 0.100 0.000 1.023 391 R CA 0.231 56.390 56.100 0.097 0.000 1.084 391 R CB 0.129 30.465 30.300 0.061 0.000 0.956 391 R HN 0.120 nan 8.270 nan 0.000 0.478 392 A N 0.000 122.917 122.820 0.161 0.000 2.254 392 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 392 A CA 0.000 52.158 52.037 0.202 0.000 0.836 392 A CB 0.000 19.263 19.000 0.439 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486