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 3oo8_1_A DATA FIRST_RESID 15 DATA SEQUENCE GNGPITFGSN YSDEAPKAAF ASLMQQATTS TTVPVTVNTT DHNTFQNNIS DATA SEQUENCE NYLQGTPDSL ATWFAGYRLQ FFAAQGLLTP IDDVWDKIGG TFNDAAKSLS DATA SEQUENCE KGLDGHYYLV PLYNYPWVVF YNKSVFQSKG YEVPASWEAF IALARKMQSD DATA SEQUENCE GLVPLAFADK DGWPALGTFD ILNLRINGYD YHIKLMKHEV PWTDPGVTKV DATA SEQUENCE FDQWRELAAY QQKGANGRTW QDAAKALENK QAGMMFQGSN QVAANYSAKN DATA SEQUENCE LPDLDFFVFP AINPQYGTDY MDAPTDGFIL PKKGKNAAAA KKVLQYIGTA DATA SEQUENCE EAEAAFLKTD HWDVGLANGL IAPTYNDIQK KSVAEIGKCK SVSQFMERDT DATA SEQUENCE VPDMANAMIK LIQQFIDQPT PETIATVQKS AEDQAKTIFR 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.417 3.960 -0.905 0.000 0.244 15 G C 0.000 174.897 174.900 -0.004 0.000 0.946 15 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 16 N N 0.154 118.851 118.700 -0.005 0.000 2.240 16 N HA 0.347 4.544 4.740 -0.905 0.000 0.240 16 N C 0.941 176.447 175.510 -0.006 0.000 1.277 16 N CA 0.102 53.148 53.050 -0.007 0.000 0.873 16 N CB 1.548 40.030 38.487 -0.009 0.000 1.222 16 N HN 0.318 nan 8.380 nan 0.000 0.507 17 G N 1.238 110.036 108.800 -0.004 0.000 2.606 17 G HA2 0.258 3.675 3.960 -0.905 0.000 0.252 17 G HA3 0.258 3.675 3.960 -0.905 0.000 0.252 17 G C -2.458 172.443 174.900 0.003 0.000 1.206 17 G CA -0.828 44.272 45.100 -0.001 0.000 0.861 17 G HN -0.095 nan 8.290 nan 0.000 0.561 18 P HA 0.097 nan 4.420 nan 0.000 0.261 18 P C 0.222 177.536 177.300 0.022 0.000 1.183 18 P CA 0.274 63.384 63.100 0.016 0.000 0.761 18 P CB 0.395 32.108 31.700 0.021 0.000 0.785 19 I N 0.288 120.877 120.570 0.031 0.000 2.664 19 I HA 0.662 4.289 4.170 -0.905 0.000 0.308 19 I C 0.206 176.367 176.117 0.075 0.000 0.984 19 I CA -0.706 60.614 61.300 0.034 0.000 1.213 19 I CB 1.760 39.766 38.000 0.010 0.000 1.379 19 I HN 0.223 nan 8.210 nan 0.000 0.501 20 T N 1.020 115.620 114.554 0.076 0.000 2.943 20 T HA 0.584 4.391 4.350 -0.905 0.000 0.284 20 T C -0.887 173.924 174.700 0.185 0.000 1.015 20 T CA -0.469 61.717 62.100 0.144 0.000 1.042 20 T CB 1.562 70.507 68.868 0.129 0.000 1.055 20 T HN 0.564 nan 8.240 nan 0.000 0.500 21 F N 0.570 120.628 119.950 0.180 0.000 2.579 21 F HA 0.549 4.538 4.527 -0.898 0.000 0.325 21 F C 0.498 176.442 175.800 0.239 0.000 1.162 21 F CA -0.876 57.267 58.000 0.238 0.000 0.946 21 F CB 1.497 40.682 39.000 0.308 0.000 1.211 21 F HN 0.992 nan 8.300 nan 0.000 0.447 22 G N 2.888 112.030 108.800 0.571 0.000 2.351 22 G HA2 0.380 3.798 3.960 -0.905 0.000 0.287 22 G HA3 0.380 3.798 3.960 -0.905 0.000 0.287 22 G C -0.910 174.058 174.900 0.113 0.000 1.159 22 G CA -0.252 45.086 45.100 0.396 0.000 0.929 22 G HN 0.546 nan 8.290 nan 0.000 0.435 23 S N 1.306 116.897 115.700 -0.181 0.000 2.561 23 S HA 0.293 4.220 4.470 -0.905 0.000 0.303 23 S C 0.813 175.002 174.600 -0.684 0.000 1.110 23 S CA -0.926 56.995 58.200 -0.465 0.000 1.034 23 S CB 0.964 63.996 63.200 -0.279 0.000 1.010 23 S HN 0.677 nan 8.310 nan 0.000 0.482 24 N N 3.305 121.458 118.700 -0.911 0.000 2.314 24 N HA 0.039 4.236 4.740 -0.905 0.000 0.200 24 N C -0.900 174.496 175.510 -0.189 0.000 1.135 24 N CA -0.055 52.643 53.050 -0.586 0.000 0.835 24 N CB -0.447 37.664 38.487 -0.627 0.000 0.989 24 N HN 0.532 nan 8.380 nan 0.000 0.478 25 Y N 1.521 121.762 120.300 -0.100 0.000 2.568 25 Y HA 0.184 4.522 4.550 -0.354 0.000 0.338 25 Y C 1.505 177.429 175.900 0.040 0.000 1.245 25 Y CA -0.887 57.221 58.100 0.013 0.000 1.667 25 Y CB 0.030 38.494 38.460 0.006 0.000 1.568 25 Y HN 0.231 nan 8.280 nan 0.000 0.471 26 S N -1.730 114.085 115.700 0.192 0.000 2.492 26 S HA 0.066 3.994 4.470 -0.905 0.000 0.218 26 S C 0.238 174.905 174.600 0.111 0.000 1.016 26 S CA -0.324 57.959 58.200 0.138 0.000 0.916 26 S CB 0.085 63.363 63.200 0.130 0.000 0.791 26 S HN 0.355 nan 8.310 nan 0.000 0.513 27 D N 2.742 123.202 120.400 0.101 0.000 2.423 27 D HA 0.090 4.187 4.640 -0.905 0.000 0.238 27 D C 1.227 177.557 176.300 0.049 0.000 1.142 27 D CA -0.031 54.003 54.000 0.056 0.000 0.884 27 D CB 0.497 41.312 40.800 0.024 0.000 1.199 27 D HN 0.188 nan 8.370 nan 0.000 0.438 28 E N 2.020 122.236 120.200 0.026 0.000 2.049 28 E HA -0.264 3.543 4.350 -0.905 0.000 0.198 28 E C 1.568 178.160 176.600 -0.013 0.000 1.007 28 E CA 1.574 57.983 56.400 0.014 0.000 0.809 28 E CB -0.038 29.666 29.700 0.007 0.000 0.749 28 E HN 0.484 nan 8.360 nan 0.000 0.450 29 A N 1.746 124.541 122.820 -0.043 0.000 1.841 29 A HA -0.086 3.691 4.320 -0.905 0.000 0.214 29 A C -0.113 177.379 177.584 -0.153 0.000 1.195 29 A CA 1.980 53.955 52.037 -0.103 0.000 0.611 29 A CB -1.680 17.244 19.000 -0.127 0.000 0.835 29 A HN 0.382 nan 8.150 nan 0.000 0.443 30 P HA -0.156 nan 4.420 nan 0.000 0.218 30 P C 1.338 178.602 177.300 -0.059 0.000 1.149 30 P CA 1.550 64.528 63.100 -0.203 0.000 0.817 30 P CB -0.128 31.529 31.700 -0.071 0.000 0.785 31 K N 0.436 120.877 120.400 0.068 0.000 2.063 31 K HA -0.131 3.646 4.320 -0.905 0.000 0.208 31 K C 2.123 178.789 176.600 0.109 0.000 1.048 31 K CA 1.585 57.963 56.287 0.152 0.000 0.928 31 K CB -0.532 32.047 32.500 0.130 0.000 0.713 31 K HN -0.035 nan 8.250 nan 0.000 0.442 32 A N 0.873 123.704 122.820 0.018 0.000 1.898 32 A HA -0.033 3.744 4.320 -0.905 0.000 0.216 32 A C 2.310 179.867 177.584 -0.044 0.000 1.181 32 A CA 1.652 53.681 52.037 -0.013 0.000 0.620 32 A CB -0.726 18.246 19.000 -0.048 0.000 0.819 32 A HN 0.478 nan 8.150 nan 0.000 0.442 33 A N -1.235 121.507 122.820 -0.130 0.000 1.902 33 A HA -0.042 3.735 4.320 -0.905 0.000 0.217 33 A C 2.040 179.646 177.584 0.038 0.000 1.181 33 A CA 1.606 53.508 52.037 -0.226 0.000 0.623 33 A CB -0.705 17.862 19.000 -0.721 0.000 0.818 33 A HN 0.617 nan 8.150 nan 0.000 0.443 34 F N 0.910 120.886 119.950 0.044 0.000 2.186 34 F HA -0.013 4.179 4.527 -0.558 0.000 0.299 34 F C 2.505 178.339 175.800 0.057 0.000 1.090 34 F CA 0.876 58.977 58.000 0.169 0.000 1.307 34 F CB -0.414 38.687 39.000 0.169 0.000 1.019 34 F HN 0.248 nan 8.300 nan 0.000 0.489 35 A N -1.017 121.825 122.820 0.037 0.000 1.902 35 A HA -0.211 3.566 4.320 -0.905 0.000 0.217 35 A C 2.389 179.901 177.584 -0.121 0.000 1.181 35 A CA 1.963 53.960 52.037 -0.066 0.000 0.623 35 A CB -1.454 17.556 19.000 0.016 0.000 0.818 35 A HN 0.424 nan 8.150 nan 0.000 0.443 36 S N -0.819 114.836 115.700 -0.075 0.000 2.368 36 S HA -0.148 3.779 4.470 -0.905 0.000 0.225 36 S C 1.934 176.484 174.600 -0.084 0.000 1.030 36 S CA 1.528 59.686 58.200 -0.070 0.000 0.999 36 S CB -0.462 62.706 63.200 -0.053 0.000 0.844 36 S HN 0.482 nan 8.310 nan 0.000 0.459 37 L N 1.410 122.585 121.223 -0.079 0.000 2.083 37 L HA 0.019 3.816 4.340 -0.905 0.000 0.209 37 L C 2.240 178.999 176.870 -0.186 0.000 1.083 37 L CA 1.833 56.642 54.840 -0.050 0.000 0.752 37 L CB -0.559 41.522 42.059 0.036 0.000 0.899 37 L HN 0.319 nan 8.230 nan 0.000 0.433 38 M N -1.224 118.152 119.600 -0.373 0.000 2.254 38 M HA -0.149 3.788 4.480 -0.905 0.000 0.265 38 M C 2.192 178.356 176.300 -0.227 0.000 1.066 38 M CA 1.353 56.437 55.300 -0.360 0.000 1.123 38 M CB -0.968 31.354 32.600 -0.464 0.000 1.388 38 M HN 0.429 nan 8.290 nan 0.000 0.425 39 Q N -0.061 119.633 119.800 -0.175 0.000 2.096 39 Q HA -0.207 3.590 4.340 -0.905 0.000 0.204 39 Q C 2.047 177.953 176.000 -0.156 0.000 0.982 39 Q CA 1.342 57.066 55.803 -0.131 0.000 0.850 39 Q CB -0.243 28.441 28.738 -0.091 0.000 0.901 39 Q HN 0.624 nan 8.270 nan 0.000 0.422 40 Q N 0.020 119.727 119.800 -0.156 0.000 2.119 40 Q HA -0.117 3.680 4.340 -0.905 0.000 0.201 40 Q C 2.149 177.860 176.000 -0.481 0.000 0.972 40 Q CA 1.135 56.832 55.803 -0.177 0.000 0.847 40 Q CB -0.175 28.556 28.738 -0.012 0.000 0.903 40 Q HN 0.365 nan 8.270 nan 0.000 0.433 41 A N 0.771 123.209 122.820 -0.636 0.000 1.877 41 A HA -0.176 3.601 4.320 -0.905 0.000 0.216 41 A C 2.274 179.556 177.584 -0.503 0.000 1.186 41 A CA 1.890 53.355 52.037 -0.954 0.000 0.620 41 A CB -0.879 17.827 19.000 -0.490 0.000 0.822 41 A HN 0.302 nan 8.150 nan 0.000 0.443 42 T N -0.110 114.269 114.554 -0.292 0.000 2.746 42 T HA -0.120 3.687 4.350 -0.905 0.000 0.267 42 T C 2.010 176.611 174.700 -0.165 0.000 1.039 42 T CA 1.928 63.921 62.100 -0.178 0.000 1.142 42 T CB -0.623 68.175 68.868 -0.117 0.000 0.866 42 T HN 0.564 nan 8.240 nan 0.000 0.444 43 T N 1.419 115.870 114.554 -0.172 0.000 2.720 43 T HA -0.133 3.674 4.350 -0.905 0.000 0.268 43 T C 2.305 176.933 174.700 -0.120 0.000 1.037 43 T CA 1.586 63.612 62.100 -0.122 0.000 1.144 43 T CB -0.411 68.395 68.868 -0.103 0.000 0.864 43 T HN 0.386 nan 8.240 nan 0.000 0.444 44 S N 0.808 116.394 115.700 -0.190 0.000 2.348 44 S HA -0.097 3.830 4.470 -0.905 0.000 0.219 44 S C 2.326 176.874 174.600 -0.087 0.000 1.033 44 S CA 1.743 59.870 58.200 -0.123 0.000 0.974 44 S CB -0.506 62.614 63.200 -0.133 0.000 0.868 44 S HN 0.718 nan 8.310 nan 0.000 0.459 45 T N -1.871 112.603 114.554 -0.133 0.000 3.065 45 T HA 0.135 3.942 4.350 -0.905 0.000 0.252 45 T C 1.307 175.975 174.700 -0.053 0.000 1.099 45 T CA 1.584 63.645 62.100 -0.066 0.000 1.063 45 T CB -0.346 68.486 68.868 -0.060 0.000 0.948 45 T HN 0.903 nan 8.240 nan 0.000 0.506 46 T N -1.059 113.454 114.554 -0.068 0.000 7.013 46 T HA -0.203 3.604 4.350 -0.905 0.000 0.288 46 T C 0.073 174.746 174.700 -0.045 0.000 2.146 46 T CA 0.617 62.687 62.100 -0.050 0.000 3.498 46 T CB -2.605 66.244 68.868 -0.032 0.000 1.517 46 T HN 0.486 nan 8.240 nan 0.000 1.113 47 V N 4.040 123.923 119.914 -0.050 0.000 2.427 47 V HA 0.482 4.059 4.120 -0.905 0.000 0.268 47 V C -1.814 174.261 176.094 -0.032 0.000 1.046 47 V CA -1.363 60.918 62.300 -0.032 0.000 0.970 47 V CB 0.903 32.713 31.823 -0.022 0.000 1.001 47 V HN 0.347 nan 8.190 nan 0.000 0.476 48 P HA 0.363 nan 4.420 nan 0.000 0.277 48 P C -0.953 176.353 177.300 0.011 0.000 1.240 48 P CA -0.229 62.863 63.100 -0.013 0.000 0.798 48 P CB 1.004 32.700 31.700 -0.006 0.000 0.979 49 V N 1.929 121.855 119.914 0.019 0.000 2.638 49 V HA 0.390 3.967 4.120 -0.905 0.000 0.306 49 V C -0.097 176.044 176.094 0.079 0.000 1.052 49 V CA -0.380 61.962 62.300 0.070 0.000 0.885 49 V CB 2.135 34.007 31.823 0.080 0.000 0.999 49 V HN 0.430 nan 8.190 nan 0.000 0.424 50 T N 3.932 118.558 114.554 0.120 0.000 2.758 50 T HA 0.479 4.286 4.350 -0.905 0.000 0.285 50 T C -0.242 174.579 174.700 0.202 0.000 0.981 50 T CA -0.276 61.901 62.100 0.127 0.000 0.965 50 T CB 1.340 70.272 68.868 0.107 0.000 0.927 50 T HN 0.378 nan 8.240 nan 0.000 0.448 51 V N 5.338 125.367 119.914 0.193 0.000 2.406 51 V HA 0.303 3.880 4.120 -0.905 0.000 0.272 51 V C 0.162 176.390 176.094 0.223 0.000 1.043 51 V CA -0.910 61.553 62.300 0.270 0.000 0.915 51 V CB 0.687 32.673 31.823 0.271 0.000 0.988 51 V HN 0.739 nan 8.190 nan 0.000 0.466 52 N N 3.319 122.168 118.700 0.247 0.000 2.527 52 N HA 0.303 4.500 4.740 -0.905 0.000 0.236 52 N C -0.087 175.522 175.510 0.164 0.000 0.999 52 N CA -0.159 53.010 53.050 0.197 0.000 0.935 52 N CB 1.518 40.136 38.487 0.218 0.000 1.132 52 N HN 0.584 nan 8.380 nan 0.000 0.511 53 T N 1.356 115.988 114.554 0.130 0.000 2.806 53 T HA 0.392 4.200 4.350 -0.905 0.000 0.290 53 T C 0.365 175.117 174.700 0.087 0.000 0.966 53 T CA -0.012 62.139 62.100 0.084 0.000 1.060 53 T CB 0.926 69.856 68.868 0.103 0.000 0.927 53 T HN 0.199 nan 8.240 nan 0.000 0.485 54 T N 2.426 117.016 114.554 0.060 0.000 2.863 54 T HA 0.305 4.113 4.350 -0.905 0.000 0.285 54 T C -0.234 174.529 174.700 0.104 0.000 1.009 54 T CA -0.781 61.391 62.100 0.120 0.000 0.989 54 T CB 1.572 70.586 68.868 0.243 0.000 1.004 54 T HN 0.714 nan 8.240 nan 0.000 0.455 55 D N 1.105 121.576 120.400 0.117 0.000 2.648 55 D HA -0.137 3.960 4.640 -0.905 0.000 0.229 55 D C 1.443 177.838 176.300 0.159 0.000 1.119 55 D CA 0.600 54.677 54.000 0.128 0.000 0.850 55 D CB 0.480 41.348 40.800 0.113 0.000 1.169 55 D HN 0.632 nan 8.370 nan 0.000 0.489 56 H N 4.062 123.177 119.070 0.075 0.000 2.265 56 H HA -0.216 3.776 4.556 -0.939 0.000 0.293 56 H C 1.158 176.569 175.328 0.138 0.000 1.089 56 H CA 2.159 58.253 56.048 0.077 0.000 1.244 56 H CB 0.274 30.061 29.762 0.042 0.000 1.355 56 H HN 0.500 nan 8.280 nan 0.000 0.485 57 N N -0.300 118.517 118.700 0.196 0.000 2.120 57 N HA -0.101 4.096 4.740 -0.905 0.000 0.188 57 N C 2.012 177.580 175.510 0.098 0.000 1.024 57 N CA 1.662 54.796 53.050 0.139 0.000 0.852 57 N CB -0.775 37.802 38.487 0.150 0.000 1.003 57 N HN 0.388 nan 8.380 nan 0.000 0.424 58 T N 0.731 115.348 114.554 0.104 0.000 2.684 58 T HA -0.126 3.682 4.350 -0.905 0.000 0.267 58 T C 1.689 176.430 174.700 0.069 0.000 1.036 58 T CA 0.830 62.979 62.100 0.082 0.000 1.148 58 T CB -0.525 68.394 68.868 0.085 0.000 0.863 58 T HN 0.195 nan 8.240 nan 0.000 0.436 59 F N 1.616 121.532 119.950 -0.057 0.000 2.095 59 F HA -0.166 3.873 4.527 -0.814 0.000 0.298 59 F C 2.709 178.492 175.800 -0.029 0.000 1.104 59 F CA 1.749 59.685 58.000 -0.107 0.000 1.232 59 F CB -0.313 38.596 39.000 -0.151 0.000 0.987 59 F HN 0.100 nan 8.300 nan 0.000 0.475 60 Q N 0.034 119.950 119.800 0.194 0.000 2.167 60 Q HA -0.205 3.592 4.340 -0.905 0.000 0.202 60 Q C 1.779 177.886 176.000 0.179 0.000 0.970 60 Q CA 1.744 57.721 55.803 0.290 0.000 0.855 60 Q CB -0.151 28.701 28.738 0.191 0.000 0.911 60 Q HN 0.355 nan 8.270 nan 0.000 0.438 61 N N 0.343 119.089 118.700 0.077 0.000 2.331 61 N HA -0.105 4.092 4.740 -0.905 0.000 0.180 61 N C 0.901 176.400 175.510 -0.020 0.000 1.019 61 N CA 1.023 54.100 53.050 0.044 0.000 0.881 61 N CB -0.166 38.345 38.487 0.039 0.000 0.972 61 N HN 0.262 nan 8.380 nan 0.000 0.435 62 N N 0.399 119.036 118.700 -0.104 0.000 2.280 62 N HA 0.085 4.282 4.740 -0.905 0.000 0.192 62 N C 1.279 176.634 175.510 -0.259 0.000 1.109 62 N CA -0.167 52.789 53.050 -0.155 0.000 0.855 62 N CB 0.046 38.442 38.487 -0.151 0.000 0.974 62 N HN -0.011 nan 8.380 nan 0.000 0.482 63 I N -0.046 120.319 120.570 -0.342 0.000 2.151 63 I HA -0.267 3.360 4.170 -0.905 0.000 0.243 63 I C 2.202 178.006 176.117 -0.520 0.000 1.080 63 I CA 1.380 62.346 61.300 -0.557 0.000 1.339 63 I CB -0.859 36.694 38.000 -0.745 0.000 1.039 63 I HN 0.185 nan 8.210 nan 0.000 0.409 64 S N 0.044 115.522 115.700 -0.370 0.000 2.356 64 S HA -0.246 3.681 4.470 -0.905 0.000 0.223 64 S C 2.027 176.492 174.600 -0.225 0.000 1.032 64 S CA 1.866 59.866 58.200 -0.332 0.000 1.005 64 S CB -0.654 62.546 63.200 -0.000 0.000 0.867 64 S HN 0.668 nan 8.310 nan 0.000 0.449 65 N N -0.160 118.456 118.700 -0.141 0.000 2.120 65 N HA -0.159 4.039 4.740 -0.905 0.000 0.188 65 N C 1.629 177.072 175.510 -0.113 0.000 1.024 65 N CA 1.850 54.840 53.050 -0.100 0.000 0.852 65 N CB -0.658 37.792 38.487 -0.062 0.000 1.003 65 N HN 0.630 nan 8.380 nan 0.000 0.424 66 Y N 0.803 120.937 120.300 -0.277 0.000 2.128 66 Y HA -0.110 3.903 4.550 -0.894 0.000 0.284 66 Y C 1.869 177.607 175.900 -0.270 0.000 1.154 66 Y CA 1.665 59.594 58.100 -0.284 0.000 1.149 66 Y CB -0.394 37.814 38.460 -0.421 0.000 0.976 66 Y HN 0.107 nan 8.280 nan 0.000 0.505 67 L N 0.034 121.029 121.223 -0.381 0.000 2.201 67 L HA -0.216 3.581 4.340 -0.905 0.000 0.212 67 L C 2.246 178.913 176.870 -0.337 0.000 1.105 67 L CA 1.410 55.982 54.840 -0.446 0.000 0.775 67 L CB -0.482 41.290 42.059 -0.480 0.000 0.913 67 L HN 0.349 nan 8.230 nan 0.000 0.440 68 Q N -0.666 118.977 119.800 -0.261 0.000 2.424 68 Q HA 0.036 3.833 4.340 -0.905 0.000 0.204 68 Q C 1.735 177.637 176.000 -0.164 0.000 0.933 68 Q CA 0.552 56.247 55.803 -0.181 0.000 0.929 68 Q CB 0.238 28.899 28.738 -0.128 0.000 1.037 68 Q HN 0.553 nan 8.270 nan 0.000 0.511 69 G N 1.192 109.874 108.800 -0.197 0.000 2.908 69 G HA2 -0.007 3.410 3.960 -0.905 0.000 0.188 69 G HA3 -0.007 3.410 3.960 -0.905 0.000 0.188 69 G C 0.364 175.158 174.900 -0.177 0.000 1.903 69 G CA 0.611 45.615 45.100 -0.159 0.000 0.883 69 G HN 0.295 nan 8.290 nan 0.000 0.515 70 T N 0.167 114.603 114.554 -0.197 0.000 3.410 70 T HA 0.540 4.347 4.350 -0.905 0.000 0.328 70 T C -2.459 172.089 174.700 -0.254 0.000 1.567 70 T CA -1.240 60.755 62.100 -0.174 0.000 1.626 70 T CB 1.544 70.356 68.868 -0.093 0.000 0.939 70 T HN 0.326 nan 8.240 nan 0.000 0.656 71 P HA 0.300 nan 4.420 nan 0.000 0.273 71 P C -0.401 176.760 177.300 -0.232 0.000 1.250 71 P CA -0.241 62.444 63.100 -0.690 0.000 0.793 71 P CB 0.915 32.082 31.700 -0.888 0.000 1.011 72 D N -0.288 120.100 120.400 -0.021 0.000 2.384 72 D HA 0.039 4.136 4.640 -0.905 0.000 0.244 72 D C 1.524 177.828 176.300 0.005 0.000 1.251 72 D CA -0.155 53.900 54.000 0.092 0.000 0.961 72 D CB 0.498 41.455 40.800 0.261 0.000 1.116 72 D HN 0.274 nan 8.370 nan 0.000 0.484 73 S N -0.737 114.950 115.700 -0.022 0.000 2.402 73 S HA -0.006 3.921 4.470 -0.905 0.000 0.229 73 S C 0.889 175.407 174.600 -0.136 0.000 1.021 73 S CA 0.689 58.844 58.200 -0.074 0.000 0.974 73 S CB 0.110 63.266 63.200 -0.073 0.000 0.800 73 S HN 0.283 nan 8.310 nan 0.000 0.484 74 L N -0.510 120.553 121.223 -0.267 0.000 2.376 74 L HA 0.788 4.585 4.340 -0.905 0.000 0.258 74 L C -0.910 175.810 176.870 -0.251 0.000 1.013 74 L CA -0.849 53.733 54.840 -0.430 0.000 0.822 74 L CB 2.130 43.493 42.059 -1.160 0.000 1.388 74 L HN 0.085 nan 8.230 nan 0.000 0.413 75 A N -0.089 122.786 122.820 0.091 0.000 2.572 75 A HA 0.719 4.496 4.320 -0.905 0.000 0.295 75 A C -0.559 177.386 177.584 0.602 0.000 1.072 75 A CA -0.533 51.770 52.037 0.443 0.000 0.691 75 A CB 1.729 21.048 19.000 0.531 0.000 1.291 75 A HN 0.645 nan 8.150 nan 0.000 0.404 76 T N -0.470 114.348 114.554 0.440 0.000 2.870 76 T HA 0.466 4.273 4.350 -0.905 0.000 0.300 76 T C -0.015 174.856 174.700 0.284 0.000 0.989 76 T CA -0.108 62.071 62.100 0.131 0.000 1.139 76 T CB 0.628 69.275 68.868 -0.367 0.000 0.920 76 T HN 0.785 nan 8.240 nan 0.000 0.537 77 W N 3.576 124.796 121.300 -0.134 0.000 3.440 77 W HA 0.574 4.671 4.660 -0.938 0.000 0.407 77 W C -2.045 174.424 176.519 -0.085 0.000 1.078 77 W CA -1.562 55.696 57.345 -0.145 0.000 1.240 77 W CB 1.537 30.909 29.460 -0.147 0.000 1.485 77 W HN 0.726 nan 8.180 nan 0.000 0.633 78 F N -0.142 119.521 119.950 -0.479 0.000 2.741 78 F HA 0.723 4.678 4.527 -0.953 0.000 0.311 78 F C -0.397 175.319 175.800 -0.139 0.000 1.149 78 F CA -1.360 56.432 58.000 -0.346 0.000 0.930 78 F CB -0.174 38.549 39.000 -0.461 0.000 1.312 78 F HN 0.358 nan 8.300 nan 0.000 0.450 79 A N 0.899 123.826 122.820 0.178 0.000 2.448 79 A HA 0.723 4.500 4.320 -0.905 0.000 0.239 79 A C 0.705 178.431 177.584 0.236 0.000 1.080 79 A CA 0.815 52.957 52.037 0.175 0.000 0.779 79 A CB -0.640 18.441 19.000 0.136 0.000 1.026 79 A HN 2.558 nan 8.150 nan 0.000 0.499 80 G N -1.074 107.839 108.800 0.188 0.000 2.293 80 G HA2 0.021 3.438 3.960 -0.905 0.000 0.282 80 G HA3 0.021 3.438 3.960 -0.905 0.000 0.282 80 G C 0.328 175.334 174.900 0.177 0.000 1.299 80 G CA 0.276 45.497 45.100 0.201 0.000 1.018 80 G HN 1.270 nan 8.290 nan 0.000 0.478 81 Y N 1.154 121.503 120.300 0.080 0.000 2.128 81 Y HA -0.078 3.927 4.550 -0.909 0.000 0.284 81 Y C 3.214 179.108 175.900 -0.009 0.000 1.154 81 Y CA 2.776 60.898 58.100 0.037 0.000 1.149 81 Y CB -0.059 38.421 38.460 0.033 0.000 0.976 81 Y HN 0.452 nan 8.280 nan 0.000 0.505 82 R N -0.473 120.155 120.500 0.214 0.000 2.092 82 R HA -0.159 3.638 4.340 -0.905 0.000 0.231 82 R C 2.158 178.274 176.300 -0.308 0.000 1.119 82 R CA 1.362 57.379 56.100 -0.139 0.000 0.970 82 R CB -0.762 29.595 30.300 0.095 0.000 0.864 82 R HN 0.378 nan 8.270 nan 0.000 0.440 83 L N 1.704 122.997 121.223 0.116 0.000 1.990 83 L HA -0.242 3.555 4.340 -0.905 0.000 0.213 83 L C 2.100 178.930 176.870 -0.067 0.000 1.072 83 L CA 1.862 56.783 54.840 0.135 0.000 0.755 83 L CB -0.442 41.746 42.059 0.214 0.000 0.889 83 L HN 0.146 nan 8.230 nan 0.000 0.432 84 Q N -1.682 118.049 119.800 -0.116 0.000 2.167 84 Q HA -0.209 3.588 4.340 -0.905 0.000 0.202 84 Q C 2.189 178.025 176.000 -0.273 0.000 0.970 84 Q CA 1.723 57.404 55.803 -0.202 0.000 0.855 84 Q CB -0.324 28.293 28.738 -0.202 0.000 0.911 84 Q HN 0.581 nan 8.270 nan 0.000 0.438 85 F N 0.562 120.220 119.950 -0.487 0.000 2.102 85 F HA -0.220 3.761 4.527 -0.909 0.000 0.298 85 F C 1.574 177.184 175.800 -0.316 0.000 1.105 85 F CA 1.270 58.994 58.000 -0.459 0.000 1.239 85 F CB -0.097 38.587 39.000 -0.527 0.000 0.991 85 F HN -0.064 nan 8.300 nan 0.000 0.474 86 F N 0.678 120.598 119.950 -0.051 0.000 2.134 86 F HA -0.048 3.931 4.527 -0.913 0.000 0.299 86 F C 2.618 178.219 175.800 -0.331 0.000 1.097 86 F CA 0.839 58.724 58.000 -0.192 0.000 1.264 86 F CB -1.843 37.048 39.000 -0.182 0.000 1.001 86 F HN 0.064 nan 8.300 nan 0.000 0.479 87 A N 0.192 122.847 122.820 -0.275 0.000 1.902 87 A HA -0.022 3.755 4.320 -0.905 0.000 0.217 87 A C 2.452 179.776 177.584 -0.435 0.000 1.181 87 A CA 1.770 53.426 52.037 -0.635 0.000 0.623 87 A CB -1.270 16.996 19.000 -1.223 0.000 0.818 87 A HN 0.295 nan 8.150 nan 0.000 0.443 88 A N -1.017 121.586 122.820 -0.362 0.000 1.972 88 A HA -0.186 3.592 4.320 -0.905 0.000 0.219 88 A C 2.090 179.502 177.584 -0.287 0.000 1.169 88 A CA 1.701 53.561 52.037 -0.296 0.000 0.635 88 A CB -0.443 18.362 19.000 -0.326 0.000 0.810 88 A HN 0.642 nan 8.150 nan 0.000 0.446 89 Q N -1.366 118.227 119.800 -0.346 0.000 2.451 89 Q HA 0.225 4.022 4.340 -0.905 0.000 0.206 89 Q C 0.997 176.896 176.000 -0.169 0.000 0.947 89 Q CA 0.712 56.341 55.803 -0.290 0.000 0.937 89 Q CB -0.132 28.406 28.738 -0.333 0.000 1.025 89 Q HN 0.864 nan 8.270 nan 0.000 0.511 90 G N 0.372 109.083 108.800 -0.149 0.000 2.136 90 G HA2 -0.238 3.180 3.960 -0.905 0.000 0.242 90 G HA3 -0.238 3.180 3.960 -0.905 0.000 0.242 90 G C 0.401 175.250 174.900 -0.085 0.000 0.989 90 G CA 0.382 45.425 45.100 -0.095 0.000 0.682 90 G HN 0.390 nan 8.290 nan 0.000 0.522 91 L N -0.697 120.465 121.223 -0.103 0.000 2.558 91 L HA 0.401 4.198 4.340 -0.905 0.000 0.225 91 L C 1.089 177.905 176.870 -0.089 0.000 1.128 91 L CA 0.438 55.213 54.840 -0.110 0.000 0.868 91 L CB 0.007 41.978 42.059 -0.147 0.000 1.006 91 L HN 0.215 nan 8.230 nan 0.000 0.454 92 L N -0.770 120.424 121.223 -0.049 0.000 2.362 92 L HA 0.394 4.191 4.340 -0.905 0.000 0.271 92 L C -0.170 176.809 176.870 0.181 0.000 1.002 92 L CA -0.462 54.408 54.840 0.050 0.000 0.818 92 L CB 2.067 44.159 42.059 0.055 0.000 1.298 92 L HN -0.215 nan 8.230 nan 0.000 0.420 93 T N 3.865 118.516 114.554 0.162 0.000 2.794 93 T HA 0.245 4.052 4.350 -0.905 0.000 0.296 93 T C -2.305 172.481 174.700 0.143 0.000 0.949 93 T CA -0.874 61.301 62.100 0.126 0.000 1.101 93 T CB 0.789 69.688 68.868 0.051 0.000 0.905 93 T HN 0.348 nan 8.240 nan 0.000 0.516 94 P HA 0.214 nan 4.420 nan 0.000 0.271 94 P C -0.074 177.140 177.300 -0.142 0.000 1.218 94 P CA -0.284 62.591 63.100 -0.374 0.000 0.780 94 P CB 0.482 31.837 31.700 -0.574 0.000 0.901 95 I N -2.120 118.410 120.570 -0.066 0.000 3.176 95 I HA 0.298 3.925 4.170 -0.905 0.000 0.339 95 I C 0.221 176.464 176.117 0.210 0.000 1.505 95 I CA -0.467 60.894 61.300 0.102 0.000 0.969 95 I CB 0.143 38.252 38.000 0.182 0.000 1.636 95 I HN -0.066 nan 8.210 nan 0.000 0.523 96 D N 2.808 123.304 120.400 0.160 0.000 2.178 96 D HA -0.195 3.903 4.640 -0.905 0.000 0.201 96 D C 1.671 178.085 176.300 0.190 0.000 0.980 96 D CA 1.923 56.079 54.000 0.260 0.000 0.842 96 D CB 0.062 41.000 40.800 0.230 0.000 0.948 96 D HN 0.678 nan 8.370 nan 0.000 0.472 97 D N 0.767 121.236 120.400 0.115 0.000 2.117 97 D HA -0.131 3.966 4.640 -0.905 0.000 0.197 97 D C 2.122 178.458 176.300 0.060 0.000 0.987 97 D CA 0.594 54.641 54.000 0.078 0.000 0.829 97 D CB -0.819 40.009 40.800 0.046 0.000 0.961 97 D HN 0.116 nan 8.370 nan 0.000 0.460 98 V N -0.287 119.661 119.914 0.055 0.000 2.332 98 V HA -0.232 3.346 4.120 -0.905 0.000 0.248 98 V C 2.269 178.302 176.094 -0.102 0.000 1.055 98 V CA 1.807 64.093 62.300 -0.024 0.000 1.038 98 V CB -0.866 30.938 31.823 -0.031 0.000 0.651 98 V HN 0.234 nan 8.190 nan 0.000 0.450 99 W N 0.183 121.385 121.300 -0.163 0.000 2.465 99 W HA -0.070 4.041 4.660 -0.914 0.000 0.268 99 W C 2.207 178.641 176.519 -0.142 0.000 1.242 99 W CA 1.063 58.228 57.345 -0.300 0.000 1.248 99 W CB -0.358 28.571 29.460 -0.885 0.000 1.118 99 W HN 0.280 nan 8.180 nan 0.000 0.587 100 D N -0.005 120.464 120.400 0.115 0.000 2.178 100 D HA -0.182 3.915 4.640 -0.905 0.000 0.201 100 D C 1.901 178.229 176.300 0.047 0.000 0.980 100 D CA 1.411 55.468 54.000 0.094 0.000 0.842 100 D CB -0.156 40.693 40.800 0.080 0.000 0.948 100 D HN 0.169 nan 8.370 nan 0.000 0.472 101 K N 0.868 121.269 120.400 0.002 0.000 2.166 101 K HA 0.049 3.826 4.320 -0.905 0.000 0.201 101 K C 1.968 178.537 176.600 -0.052 0.000 1.052 101 K CA 0.528 56.802 56.287 -0.022 0.000 0.969 101 K CB -0.044 32.437 32.500 -0.031 0.000 0.761 101 K HN 0.267 nan 8.250 nan 0.000 0.459 102 I N -3.040 117.455 120.570 -0.126 0.000 3.860 102 I HA 0.366 3.994 4.170 -0.905 0.000 0.319 102 I C 1.725 177.817 176.117 -0.043 0.000 1.279 102 I CA 0.328 61.540 61.300 -0.147 0.000 1.220 102 I CB -0.040 37.787 38.000 -0.287 0.000 1.027 102 I HN 0.086 nan 8.210 nan 0.000 0.428 103 G N 1.922 110.755 108.800 0.054 0.000 2.475 103 G HA2 -0.227 3.191 3.960 -0.905 0.000 0.220 103 G HA3 -0.227 3.191 3.960 -0.905 0.000 0.220 103 G C 1.570 176.626 174.900 0.260 0.000 1.125 103 G CA 0.836 46.129 45.100 0.322 0.000 0.755 103 G HN 0.545 nan 8.290 nan 0.000 0.565 104 G N -0.356 108.511 108.800 0.112 0.000 2.498 104 G HA2 -0.033 3.384 3.960 -0.905 0.000 0.219 104 G HA3 -0.033 3.384 3.960 -0.905 0.000 0.219 104 G C 1.591 176.480 174.900 -0.018 0.000 1.119 104 G CA 1.467 46.601 45.100 0.056 0.000 0.766 104 G HN 0.400 nan 8.290 nan 0.000 0.552 105 T N 0.151 114.633 114.554 -0.121 0.000 3.081 105 T HA 0.289 4.096 4.350 -0.905 0.000 0.255 105 T C -0.142 174.169 174.700 -0.647 0.000 1.113 105 T CA 0.172 62.006 62.100 -0.443 0.000 1.082 105 T CB -0.008 68.448 68.868 -0.686 0.000 0.939 105 T HN 0.110 nan 8.240 nan 0.000 0.506 106 F N 2.525 122.536 119.950 0.102 0.000 2.546 106 F HA 0.469 4.454 4.527 -0.903 0.000 0.320 106 F C 0.454 176.365 175.800 0.184 0.000 1.076 106 F CA -2.068 56.037 58.000 0.175 0.000 0.928 106 F CB 1.060 40.243 39.000 0.307 0.000 1.189 106 F HN -0.062 nan 8.300 nan 0.000 0.465 107 N N 0.137 119.045 118.700 0.346 0.000 2.366 107 N HA 0.079 4.276 4.740 -0.905 0.000 0.277 107 N C 0.334 175.978 175.510 0.224 0.000 1.275 107 N CA -0.252 52.935 53.050 0.229 0.000 0.964 107 N CB 0.288 38.872 38.487 0.162 0.000 1.167 107 N HN 0.472 nan 8.380 nan 0.000 0.568 108 D N -0.592 119.897 120.400 0.147 0.000 2.144 108 D HA -0.063 4.034 4.640 -0.905 0.000 0.199 108 D C 1.743 178.094 176.300 0.085 0.000 0.984 108 D CA 1.900 55.965 54.000 0.108 0.000 0.834 108 D CB -0.692 40.150 40.800 0.070 0.000 0.955 108 D HN 0.691 nan 8.370 nan 0.000 0.465 109 A N 0.962 123.833 122.820 0.084 0.000 1.908 109 A HA -0.085 3.692 4.320 -0.905 0.000 0.218 109 A C 2.306 179.943 177.584 0.089 0.000 1.181 109 A CA 2.275 54.345 52.037 0.055 0.000 0.627 109 A CB -0.735 18.301 19.000 0.059 0.000 0.818 109 A HN 0.240 nan 8.150 nan 0.000 0.445 110 A N -0.282 122.639 122.820 0.168 0.000 1.933 110 A HA -0.144 3.633 4.320 -0.905 0.000 0.218 110 A C 2.111 179.783 177.584 0.148 0.000 1.175 110 A CA 1.779 53.939 52.037 0.205 0.000 0.628 110 A CB -0.390 18.835 19.000 0.375 0.000 0.814 110 A HN 0.561 nan 8.150 nan 0.000 0.444 111 K N -0.111 120.371 120.400 0.135 0.000 2.025 111 K HA -0.072 3.706 4.320 -0.905 0.000 0.207 111 K C 2.391 178.931 176.600 -0.099 0.000 1.049 111 K CA 1.479 57.752 56.287 -0.023 0.000 0.933 111 K CB -0.251 32.302 32.500 0.089 0.000 0.714 111 K HN 0.405 nan 8.250 nan 0.000 0.438 112 S N 1.826 117.498 115.700 -0.047 0.000 2.359 112 S HA -0.157 3.770 4.470 -0.905 0.000 0.223 112 S C 1.892 176.473 174.600 -0.031 0.000 1.039 112 S CA 1.762 59.924 58.200 -0.064 0.000 1.042 112 S CB -0.392 62.785 63.200 -0.039 0.000 0.915 112 S HN 0.314 nan 8.310 nan 0.000 0.439 113 L N 0.273 121.507 121.223 0.020 0.000 2.549 113 L HA 0.244 4.041 4.340 -0.905 0.000 0.229 113 L C 1.462 178.371 176.870 0.065 0.000 1.158 113 L CA 1.121 55.999 54.840 0.062 0.000 0.842 113 L CB -0.608 41.504 42.059 0.089 0.000 0.952 113 L HN -0.028 nan 8.230 nan 0.000 0.452 114 S N -1.218 114.495 115.700 0.021 0.000 2.556 114 S HA 0.221 4.148 4.470 -0.905 0.000 0.216 114 S C 0.606 175.221 174.600 0.026 0.000 0.970 114 S CA -0.114 58.126 58.200 0.067 0.000 0.912 114 S CB -0.021 63.218 63.200 0.065 0.000 0.790 114 S HN 0.453 nan 8.310 nan 0.000 0.504 115 K N 1.010 121.360 120.400 -0.084 0.000 2.123 115 K HA 0.578 4.355 4.320 -0.905 0.000 0.248 115 K C 0.502 177.137 176.600 0.058 0.000 0.969 115 K CA -0.593 55.619 56.287 -0.124 0.000 0.882 115 K CB 1.294 33.588 32.500 -0.343 0.000 1.080 115 K HN 0.174 nan 8.250 nan 0.000 0.441 116 G N 0.512 109.439 108.800 0.211 0.000 2.535 116 G HA2 0.210 3.627 3.960 -0.905 0.000 0.303 116 G HA3 0.210 3.627 3.960 -0.905 0.000 0.303 116 G C 0.826 175.734 174.900 0.013 0.000 1.237 116 G CA -0.656 44.518 45.100 0.123 0.000 0.986 116 G HN 0.540 nan 8.290 nan 0.000 0.494 117 L N -0.143 121.053 121.223 -0.045 0.000 2.191 117 L HA -0.048 3.749 4.340 -0.905 0.000 0.212 117 L C 2.123 178.959 176.870 -0.058 0.000 1.103 117 L CA 1.421 56.219 54.840 -0.069 0.000 0.769 117 L CB -0.245 41.756 42.059 -0.096 0.000 0.908 117 L HN 0.677 nan 8.230 nan 0.000 0.438 118 D N -0.830 119.562 120.400 -0.014 0.000 2.340 118 D HA 0.037 4.134 4.640 -0.905 0.000 0.220 118 D C 1.490 177.689 176.300 -0.169 0.000 1.039 118 D CA 0.727 54.704 54.000 -0.039 0.000 0.866 118 D CB 0.138 40.983 40.800 0.075 0.000 0.913 118 D HN 0.244 nan 8.370 nan 0.000 0.523 119 G N -0.267 108.436 108.800 -0.161 0.000 2.205 119 G HA2 -0.282 3.135 3.960 -0.905 0.000 0.261 119 G HA3 -0.282 3.135 3.960 -0.905 0.000 0.261 119 G C 0.203 174.859 174.900 -0.406 0.000 0.980 119 G CA 0.168 45.097 45.100 -0.286 0.000 0.632 119 G HN 0.541 nan 8.290 nan 0.000 0.533 120 H N -0.551 118.412 119.070 -0.178 0.000 2.615 120 H HA 0.436 4.449 4.556 -0.906 0.000 0.363 120 H C 0.212 175.231 175.328 -0.516 0.000 1.148 120 H CA -0.116 55.730 56.048 -0.337 0.000 1.401 120 H CB 0.353 29.879 29.762 -0.394 0.000 1.461 120 H HN 0.208 nan 8.280 nan 0.000 0.588 121 Y N 0.837 120.945 120.300 -0.320 0.000 2.309 121 Y HA -0.010 3.995 4.550 -0.908 0.000 0.327 121 Y C 0.355 175.973 175.900 -0.471 0.000 1.172 121 Y CA 0.323 58.188 58.100 -0.393 0.000 1.280 121 Y CB 0.458 38.616 38.460 -0.504 0.000 1.234 121 Y HN 0.558 nan 8.280 nan 0.000 0.512 122 Y N 0.838 121.257 120.300 0.198 0.000 2.437 122 Y HA 0.301 4.304 4.550 -0.911 0.000 0.266 122 Y C -0.527 175.517 175.900 0.241 0.000 1.077 122 Y CA -0.413 57.800 58.100 0.188 0.000 1.235 122 Y CB 0.783 39.315 38.460 0.120 0.000 1.303 122 Y HN 0.409 nan 8.280 nan 0.000 0.536 123 L N 0.198 121.667 121.223 0.411 0.000 2.354 123 L HA 0.783 4.580 4.340 -0.905 0.000 0.269 123 L C -1.126 176.040 176.870 0.494 0.000 1.005 123 L CA -0.887 54.185 54.840 0.387 0.000 0.819 123 L CB 1.899 44.137 42.059 0.298 0.000 1.311 123 L HN -0.268 nan 8.230 nan 0.000 0.423 124 V N 5.873 126.020 119.914 0.389 0.000 2.357 124 V HA 0.514 4.091 4.120 -0.905 0.000 0.284 124 V C -2.123 174.096 176.094 0.209 0.000 1.018 124 V CA -1.319 61.142 62.300 0.270 0.000 0.841 124 V CB 1.266 33.194 31.823 0.175 0.000 0.991 124 V HN 0.694 nan 8.190 nan 0.000 0.437 125 P HA 0.338 nan 4.420 nan 0.000 0.278 125 P C 0.002 177.339 177.300 0.062 0.000 1.258 125 P CA -0.323 62.790 63.100 0.023 0.000 0.811 125 P CB 2.558 34.264 31.700 0.009 0.000 1.063 126 L N 1.097 122.313 121.223 -0.012 0.000 2.638 126 L HA 0.335 4.132 4.340 -0.905 0.000 0.195 126 L C -0.170 176.810 176.870 0.185 0.000 1.065 126 L CA 0.975 55.886 54.840 0.119 0.000 0.859 126 L CB -0.067 42.075 42.059 0.139 0.000 1.269 126 L HN 0.516 nan 8.230 nan 0.000 0.484 127 Y N -1.291 119.120 120.300 0.186 0.000 2.656 127 Y HA 0.675 4.648 4.550 -0.961 0.000 0.334 127 Y C -1.053 174.957 175.900 0.184 0.000 1.179 127 Y CA -1.698 56.530 58.100 0.213 0.000 1.050 127 Y CB 0.300 38.914 38.460 0.256 0.000 1.308 127 Y HN 0.185 nan 8.280 nan 0.000 0.456 128 N N -0.217 118.723 118.700 0.400 0.000 3.204 128 N HA 0.690 4.887 4.740 -0.905 0.000 0.285 128 N C -1.868 173.857 175.510 0.358 0.000 1.536 128 N CA -0.963 52.261 53.050 0.291 0.000 0.832 128 N CB 1.980 40.524 38.487 0.095 0.000 1.645 128 N HN 0.971 nan 8.380 nan 0.000 0.586 129 Y N -4.636 115.767 120.300 0.172 0.000 2.609 129 Y HA 0.802 4.803 4.550 -0.916 0.000 0.336 129 Y C -3.312 172.638 175.900 0.083 0.000 1.129 129 Y CA -2.052 56.112 58.100 0.106 0.000 1.040 129 Y CB 1.643 40.153 38.460 0.083 0.000 1.310 129 Y HN 0.474 nan 8.280 nan 0.000 0.460 130 P HA 0.243 nan 4.420 nan 0.000 0.290 130 P C -1.739 175.540 177.300 -0.035 0.000 1.283 130 P CA -0.239 62.844 63.100 -0.028 0.000 0.869 130 P CB 1.644 33.247 31.700 -0.162 0.000 1.100 131 W N 2.584 123.760 121.300 -0.207 0.000 2.294 131 W HA 0.451 4.564 4.660 -0.912 0.000 0.314 131 W C -0.182 176.135 176.519 -0.337 0.000 1.044 131 W CA 0.224 57.376 57.345 -0.322 0.000 1.284 131 W CB 1.126 30.437 29.460 -0.249 0.000 1.231 131 W HN 0.194 nan 8.180 nan 0.000 0.419 132 V N 0.534 120.204 119.914 -0.406 0.000 3.202 132 V HA 0.669 4.247 4.120 -0.905 0.000 0.306 132 V C -0.962 174.965 176.094 -0.278 0.000 1.283 132 V CA -1.463 60.698 62.300 -0.232 0.000 1.065 132 V CB 1.462 32.906 31.823 -0.633 0.000 1.079 132 V HN -0.070 nan 8.190 nan 0.000 0.448 133 V N 1.546 121.337 119.914 -0.205 0.000 2.364 133 V HA 0.508 4.085 4.120 -0.905 0.000 0.272 133 V C -0.494 175.314 176.094 -0.477 0.000 1.036 133 V CA 0.051 62.204 62.300 -0.245 0.000 0.880 133 V CB 0.481 31.916 31.823 -0.647 0.000 0.991 133 V HN 0.644 nan 8.190 nan 0.000 0.460 134 F N 5.335 125.254 119.950 -0.052 0.000 2.377 134 F HA 0.733 4.716 4.527 -0.907 0.000 0.328 134 F C 0.101 175.971 175.800 0.116 0.000 1.094 134 F CA -0.253 57.737 58.000 -0.016 0.000 1.093 134 F CB 1.307 40.237 39.000 -0.117 0.000 1.214 134 F HN 0.613 nan 8.300 nan 0.000 0.518 135 Y N -1.182 119.172 120.300 0.090 0.000 2.670 135 Y HA 0.518 4.525 4.550 -0.905 0.000 0.334 135 Y C -1.854 174.078 175.900 0.053 0.000 1.185 135 Y CA -1.810 56.323 58.100 0.056 0.000 1.053 135 Y CB 0.909 39.216 38.460 -0.255 0.000 1.298 135 Y HN 0.498 nan 8.280 nan 0.000 0.459 136 N N 1.422 120.254 118.700 0.220 0.000 2.426 136 N HA 0.298 4.495 4.740 -0.905 0.000 0.275 136 N C 0.000 175.631 175.510 0.201 0.000 1.019 136 N CA -0.889 52.247 53.050 0.143 0.000 0.941 136 N CB 1.860 40.508 38.487 0.270 0.000 1.123 136 N HN 0.589 nan 8.380 nan 0.000 0.486 137 K N 0.660 121.074 120.400 0.023 0.000 2.057 137 K HA -0.177 3.600 4.320 -0.905 0.000 0.207 137 K C 1.988 178.730 176.600 0.236 0.000 1.049 137 K CA 1.545 57.921 56.287 0.149 0.000 0.931 137 K CB -0.077 32.446 32.500 0.040 0.000 0.714 137 K HN 0.606 nan 8.250 nan 0.000 0.440 138 S N 0.705 116.507 115.700 0.169 0.000 2.383 138 S HA -0.133 3.794 4.470 -0.905 0.000 0.229 138 S C 2.120 176.824 174.600 0.174 0.000 1.030 138 S CA 1.403 59.691 58.200 0.146 0.000 1.002 138 S CB -0.640 62.625 63.200 0.107 0.000 0.829 138 S HN 0.038 nan 8.310 nan 0.000 0.467 139 V N 0.582 120.651 119.914 0.259 0.000 2.323 139 V HA -0.029 3.548 4.120 -0.905 0.000 0.244 139 V C 2.305 178.547 176.094 0.247 0.000 1.041 139 V CA 1.648 64.102 62.300 0.257 0.000 1.025 139 V CB -1.060 30.986 31.823 0.371 0.000 0.656 139 V HN 0.397 nan 8.190 nan 0.000 0.451 140 F N 0.729 120.794 119.950 0.192 0.000 2.134 140 F HA -0.198 3.787 4.527 -0.903 0.000 0.299 140 F C 2.608 178.413 175.800 0.007 0.000 1.097 140 F CA 1.601 59.694 58.000 0.155 0.000 1.264 140 F CB -0.790 38.370 39.000 0.266 0.000 1.001 140 F HN 0.178 nan 8.300 nan 0.000 0.479 141 Q N -1.078 118.863 119.800 0.235 0.000 2.050 141 Q HA -0.200 3.597 4.340 -0.905 0.000 0.202 141 Q C 2.522 178.525 176.000 0.005 0.000 0.980 141 Q CA 1.950 57.816 55.803 0.106 0.000 0.840 141 Q CB -0.518 28.285 28.738 0.110 0.000 0.898 141 Q HN 0.288 nan 8.270 nan 0.000 0.424 142 S N 0.187 115.877 115.700 -0.016 0.000 2.371 142 S HA -0.075 3.852 4.470 -0.905 0.000 0.224 142 S C 1.475 175.974 174.600 -0.168 0.000 1.029 142 S CA 0.990 59.151 58.200 -0.065 0.000 0.978 142 S CB 0.100 63.279 63.200 -0.035 0.000 0.833 142 S HN 0.205 nan 8.310 nan 0.000 0.466 143 K N 0.154 120.346 120.400 -0.347 0.000 2.404 143 K HA 0.213 3.990 4.320 -0.905 0.000 0.194 143 K C 0.948 177.197 176.600 -0.585 0.000 1.023 143 K CA 0.491 56.420 56.287 -0.596 0.000 1.094 143 K CB 0.120 31.917 32.500 -1.171 0.000 0.841 143 K HN 0.457 nan 8.250 nan 0.000 0.523 144 G N 1.987 110.573 108.800 -0.357 0.000 2.246 144 G HA2 -0.252 3.165 3.960 -0.905 0.000 0.273 144 G HA3 -0.252 3.165 3.960 -0.905 0.000 0.273 144 G C -0.612 174.220 174.900 -0.114 0.000 1.055 144 G CA -0.087 44.904 45.100 -0.180 0.000 0.851 144 G HN 0.180 nan 8.290 nan 0.000 0.500 145 Y N 0.435 120.597 120.300 -0.229 0.000 2.313 145 Y HA 0.545 4.552 4.550 -0.905 0.000 0.332 145 Y C 0.732 176.481 175.900 -0.251 0.000 1.071 145 Y CA -1.746 56.082 58.100 -0.453 0.000 1.169 145 Y CB 0.945 38.708 38.460 -1.161 0.000 1.192 145 Y HN 0.180 nan 8.280 nan 0.000 0.487 146 E N 1.937 122.115 120.200 -0.036 0.000 2.214 146 E HA 0.306 4.114 4.350 -0.905 0.000 0.274 146 E C -0.640 175.930 176.600 -0.049 0.000 0.977 146 E CA -0.974 55.426 56.400 0.001 0.000 0.827 146 E CB 2.492 32.166 29.700 -0.043 0.000 1.130 146 E HN 0.295 nan 8.360 nan 0.000 0.394 147 V N 5.069 124.942 119.914 -0.069 0.000 2.493 147 V HA 0.049 3.626 4.120 -0.905 0.000 0.292 147 V C -1.768 174.084 176.094 -0.403 0.000 1.016 147 V CA -0.708 61.379 62.300 -0.354 0.000 1.097 147 V CB -0.059 31.585 31.823 -0.297 0.000 0.947 147 V HN 0.485 nan 8.190 nan 0.000 0.479 148 P HA 0.381 nan 4.420 nan 0.000 0.293 148 P C 0.074 177.186 177.300 -0.314 0.000 1.300 148 P CA -0.494 62.390 63.100 -0.360 0.000 0.792 148 P CB 1.912 33.454 31.700 -0.263 0.000 0.925 149 A N 3.192 125.908 122.820 -0.173 0.000 2.030 149 A HA 0.130 3.907 4.320 -0.905 0.000 0.215 149 A C 1.091 178.639 177.584 -0.060 0.000 1.164 149 A CA 0.882 52.858 52.037 -0.103 0.000 0.697 149 A CB -0.397 18.565 19.000 -0.063 0.000 0.827 149 A HN 0.659 nan 8.150 nan 0.000 0.457 150 S N -3.015 112.658 115.700 -0.045 0.000 2.648 150 S HA 0.358 4.285 4.470 -0.905 0.000 0.305 150 S C 0.549 175.201 174.600 0.088 0.000 1.094 150 S CA -0.501 57.718 58.200 0.033 0.000 0.983 150 S CB 0.704 63.929 63.200 0.041 0.000 1.101 150 S HN 0.451 nan 8.310 nan 0.000 0.514 151 W N 2.142 123.426 121.300 -0.027 0.000 2.342 151 W HA -0.208 3.909 4.660 -0.906 0.000 0.297 151 W C 1.641 178.196 176.519 0.060 0.000 1.213 151 W CA 2.557 59.926 57.345 0.040 0.000 1.251 151 W CB -0.273 29.221 29.460 0.057 0.000 1.136 151 W HN 1.064 nan 8.180 nan 0.000 0.526 152 E N 1.006 121.300 120.200 0.156 0.000 2.110 152 E HA -0.154 3.654 4.350 -0.905 0.000 0.193 152 E C 2.076 178.616 176.600 -0.101 0.000 0.988 152 E CA 2.042 58.452 56.400 0.016 0.000 0.804 152 E CB -1.264 28.472 29.700 0.060 0.000 0.745 152 E HN 0.048 nan 8.360 nan 0.000 0.458 153 A N -0.003 122.772 122.820 -0.075 0.000 1.968 153 A HA 0.001 3.778 4.320 -0.905 0.000 0.217 153 A C 2.044 179.523 177.584 -0.175 0.000 1.169 153 A CA 1.067 53.030 52.037 -0.123 0.000 0.638 153 A CB -0.832 18.105 19.000 -0.105 0.000 0.812 153 A HN 0.362 nan 8.150 nan 0.000 0.446 154 F N 0.841 120.568 119.950 -0.372 0.000 2.102 154 F HA -0.148 3.837 4.527 -0.904 0.000 0.298 154 F C 1.929 177.376 175.800 -0.588 0.000 1.105 154 F CA 1.243 58.958 58.000 -0.475 0.000 1.239 154 F CB -0.084 38.599 39.000 -0.529 0.000 0.991 154 F HN 0.135 nan 8.300 nan 0.000 0.474 155 I N 0.357 120.506 120.570 -0.703 0.000 2.353 155 I HA -0.175 3.452 4.170 -0.905 0.000 0.248 155 I C 2.693 178.417 176.117 -0.656 0.000 1.119 155 I CA 1.338 62.132 61.300 -0.843 0.000 1.417 155 I CB -2.066 35.529 38.000 -0.674 0.000 1.078 155 I HN 0.195 nan 8.210 nan 0.000 0.421 156 A N 0.771 123.333 122.820 -0.431 0.000 1.933 156 A HA -0.206 3.571 4.320 -0.905 0.000 0.218 156 A C 2.309 179.666 177.584 -0.379 0.000 1.175 156 A CA 1.402 53.245 52.037 -0.325 0.000 0.628 156 A CB -0.831 18.042 19.000 -0.212 0.000 0.814 156 A HN 0.373 nan 8.150 nan 0.000 0.444 157 L N -0.230 120.729 121.223 -0.439 0.000 2.027 157 L HA -0.019 3.778 4.340 -0.905 0.000 0.206 157 L C 2.654 179.161 176.870 -0.605 0.000 1.074 157 L CA 2.187 56.722 54.840 -0.508 0.000 0.745 157 L CB -0.864 40.904 42.059 -0.485 0.000 0.898 157 L HN 0.328 nan 8.230 nan 0.000 0.433 158 A N -0.288 122.096 122.820 -0.726 0.000 1.908 158 A HA -0.243 3.534 4.320 -0.905 0.000 0.218 158 A C 2.431 179.662 177.584 -0.589 0.000 1.181 158 A CA 1.969 53.554 52.037 -0.753 0.000 0.627 158 A CB -0.582 17.713 19.000 -1.175 0.000 0.818 158 A HN 0.527 nan 8.150 nan 0.000 0.445 159 R N -0.669 119.469 120.500 -0.602 0.000 2.081 159 R HA -0.117 3.680 4.340 -0.905 0.000 0.235 159 R C 2.386 178.566 176.300 -0.201 0.000 1.131 159 R CA 1.583 57.493 56.100 -0.316 0.000 0.960 159 R CB -0.276 29.873 30.300 -0.251 0.000 0.856 159 R HN 0.624 nan 8.270 nan 0.000 0.436 160 K N 0.819 121.070 120.400 -0.248 0.000 2.057 160 K HA -0.128 3.649 4.320 -0.905 0.000 0.207 160 K C 2.090 178.609 176.600 -0.135 0.000 1.049 160 K CA 1.408 57.597 56.287 -0.164 0.000 0.931 160 K CB 0.016 32.409 32.500 -0.177 0.000 0.714 160 K HN 0.069 nan 8.250 nan 0.000 0.440 161 M N 0.616 120.051 119.600 -0.275 0.000 2.108 161 M HA -0.224 3.713 4.480 -0.905 0.000 0.261 161 M C 2.305 178.575 176.300 -0.049 0.000 1.066 161 M CA 1.733 56.922 55.300 -0.186 0.000 1.107 161 M CB -0.150 32.276 32.600 -0.291 0.000 1.356 161 M HN 0.236 nan 8.290 nan 0.000 0.406 162 Q N -0.682 119.087 119.800 -0.052 0.000 2.050 162 Q HA -0.149 3.648 4.340 -0.905 0.000 0.202 162 Q C 2.187 178.197 176.000 0.017 0.000 0.980 162 Q CA 1.788 57.600 55.803 0.014 0.000 0.840 162 Q CB -0.141 28.632 28.738 0.059 0.000 0.898 162 Q HN 0.450 nan 8.270 nan 0.000 0.424 163 S N 1.134 116.835 115.700 0.001 0.000 2.400 163 S HA -0.132 3.795 4.470 -0.905 0.000 0.232 163 S C 1.054 175.667 174.600 0.022 0.000 1.025 163 S CA 1.226 59.431 58.200 0.009 0.000 0.993 163 S CB -0.160 63.038 63.200 -0.003 0.000 0.808 163 S HN 0.330 nan 8.310 nan 0.000 0.478 164 D N 0.355 120.778 120.400 0.038 0.000 2.363 164 D HA 0.196 4.294 4.640 -0.905 0.000 0.226 164 D C 1.345 177.680 176.300 0.057 0.000 1.020 164 D CA 0.639 54.676 54.000 0.061 0.000 0.892 164 D CB -0.285 40.590 40.800 0.126 0.000 0.900 164 D HN 0.458 nan 8.370 nan 0.000 0.531 165 G N 0.616 109.444 108.800 0.047 0.000 2.160 165 G HA2 -0.263 3.154 3.960 -0.905 0.000 0.244 165 G HA3 -0.263 3.154 3.960 -0.905 0.000 0.244 165 G C -0.144 174.791 174.900 0.060 0.000 1.022 165 G CA -0.015 45.114 45.100 0.047 0.000 0.741 165 G HN 0.287 nan 8.290 nan 0.000 0.508 166 L N 0.190 121.453 121.223 0.067 0.000 2.342 166 L HA 0.754 4.551 4.340 -0.905 0.000 0.271 166 L C 0.542 177.455 176.870 0.073 0.000 1.008 166 L CA -1.009 53.881 54.840 0.082 0.000 0.818 166 L CB 2.180 44.305 42.059 0.110 0.000 1.296 166 L HN 0.033 nan 8.230 nan 0.000 0.427 167 V N 6.989 126.957 119.914 0.090 0.000 2.479 167 V HA 0.128 3.705 4.120 -0.905 0.000 0.281 167 V C -1.629 174.525 176.094 0.101 0.000 1.031 167 V CA -0.649 61.711 62.300 0.100 0.000 1.038 167 V CB 0.920 32.814 31.823 0.118 0.000 0.981 167 V HN 0.788 nan 8.190 nan 0.000 0.478 168 P HA 0.008 nan 4.420 nan 0.000 0.214 168 P C 0.015 177.375 177.300 0.101 0.000 1.162 168 P CA 0.937 64.053 63.100 0.027 0.000 0.874 168 P CB 0.263 31.937 31.700 -0.044 0.000 0.784 169 L N -0.845 120.465 121.223 0.145 0.000 2.316 169 L HA 0.491 4.288 4.340 -0.905 0.000 0.280 169 L C 0.032 177.068 176.870 0.277 0.000 1.006 169 L CA -1.252 53.721 54.840 0.222 0.000 0.836 169 L CB 1.272 43.460 42.059 0.215 0.000 1.221 169 L HN -0.124 nan 8.230 nan 0.000 0.418 170 A N 3.408 126.400 122.820 0.287 0.000 2.540 170 A HA 0.370 4.147 4.320 -0.905 0.000 0.239 170 A C -0.869 176.976 177.584 0.436 0.000 1.061 170 A CA 0.595 52.812 52.037 0.299 0.000 0.758 170 A CB 0.008 19.158 19.000 0.249 0.000 0.991 170 A HN 0.511 nan 8.150 nan 0.000 0.502 171 F N 1.114 121.181 119.950 0.195 0.000 2.615 171 F HA 0.615 4.599 4.527 -0.905 0.000 0.312 171 F C -0.313 175.595 175.800 0.179 0.000 1.119 171 F CA -0.258 57.876 58.000 0.223 0.000 0.979 171 F CB 1.747 40.903 39.000 0.261 0.000 1.266 171 F HN 0.939 nan 8.300 nan 0.000 0.444 172 A N 3.782 126.352 122.820 -0.418 0.000 2.520 172 A HA 0.612 4.389 4.320 -0.905 0.000 0.298 172 A C -1.276 176.025 177.584 -0.472 0.000 1.051 172 A CA -0.329 51.512 52.037 -0.327 0.000 0.690 172 A CB 1.644 20.592 19.000 -0.088 0.000 1.281 172 A HN 0.676 nan 8.150 nan 0.000 0.402 173 D N 0.424 120.627 120.400 -0.328 0.000 2.583 173 D HA 0.080 4.177 4.640 -0.905 0.000 0.282 173 D C 1.056 177.275 176.300 -0.134 0.000 1.485 173 D CA 0.076 53.932 54.000 -0.241 0.000 0.834 173 D CB 0.305 40.987 40.800 -0.197 0.000 1.258 173 D HN 0.544 nan 8.370 nan 0.000 0.470 174 K N 0.386 120.717 120.400 -0.114 0.000 2.152 174 K HA -0.133 3.644 4.320 -0.905 0.000 0.206 174 K C 0.667 177.236 176.600 -0.053 0.000 1.048 174 K CA 1.473 57.721 56.287 -0.065 0.000 0.933 174 K CB 0.172 32.639 32.500 -0.055 0.000 0.721 174 K HN 0.103 nan 8.250 nan 0.000 0.447 175 D N -1.020 119.315 120.400 -0.108 0.000 2.348 175 D HA -0.022 4.075 4.640 -0.905 0.000 0.216 175 D C 1.345 177.582 176.300 -0.106 0.000 0.970 175 D CA 1.144 55.082 54.000 -0.103 0.000 0.889 175 D CB 0.497 41.167 40.800 -0.216 0.000 0.912 175 D HN 0.559 nan 8.370 nan 0.000 0.524 176 G N 1.185 109.924 108.800 -0.102 0.000 2.640 176 G HA2 -0.318 3.099 3.960 -0.905 0.000 0.226 176 G HA3 -0.318 3.099 3.960 -0.905 0.000 0.226 176 G C 1.187 176.161 174.900 0.124 0.000 1.222 176 G CA 0.382 45.508 45.100 0.043 0.000 0.729 176 G HN 0.407 nan 8.290 nan 0.000 0.516 177 W N 0.834 122.273 121.300 0.232 0.000 2.518 177 W HA 0.255 4.381 4.660 -0.891 0.000 0.273 177 W C -0.822 175.984 176.519 0.478 0.000 1.247 177 W CA 1.270 58.821 57.345 0.343 0.000 1.288 177 W CB -1.638 28.043 29.460 0.369 0.000 1.107 177 W HN 0.377 nan 8.180 nan 0.000 0.586 178 P HA -0.158 nan 4.420 nan 0.000 0.216 178 P C 2.131 179.735 177.300 0.507 0.000 1.153 178 P CA 3.601 66.744 63.100 0.071 0.000 0.858 178 P CB -0.349 31.139 31.700 -0.353 0.000 0.789 179 A N -0.871 122.196 122.820 0.412 0.000 2.067 179 A HA -0.107 3.670 4.320 -0.905 0.000 0.219 179 A C 2.089 180.051 177.584 0.631 0.000 1.158 179 A CA 0.954 53.389 52.037 0.663 0.000 0.661 179 A CB -1.520 17.900 19.000 0.701 0.000 0.801 179 A HN 0.125 nan 8.150 nan 0.000 0.452 180 L N -0.755 120.750 121.223 0.471 0.000 2.127 180 L HA -0.168 3.629 4.340 -0.905 0.000 0.211 180 L C 2.725 179.692 176.870 0.161 0.000 1.089 180 L CA 1.103 56.091 54.840 0.247 0.000 0.757 180 L CB -0.897 41.130 42.059 -0.052 0.000 0.899 180 L HN 0.490 nan 8.230 nan 0.000 0.434 181 G N -0.728 108.269 108.800 0.329 0.000 2.432 181 G HA2 -0.216 3.201 3.960 -0.905 0.000 0.219 181 G HA3 -0.216 3.201 3.960 -0.905 0.000 0.219 181 G C 1.598 176.690 174.900 0.320 0.000 1.135 181 G CA 1.194 46.421 45.100 0.212 0.000 0.767 181 G HN 0.267 nan 8.290 nan 0.000 0.550 182 T N 0.494 115.212 114.554 0.272 0.000 2.777 182 T HA -0.066 3.741 4.350 -0.905 0.000 0.266 182 T C 1.886 176.248 174.700 -0.562 0.000 1.040 182 T CA 0.931 62.860 62.100 -0.286 0.000 1.141 182 T CB -0.258 68.315 68.868 -0.492 0.000 0.868 182 T HN 0.264 nan 8.240 nan 0.000 0.444 183 F N 2.578 122.312 119.950 -0.360 0.000 2.069 183 F HA -0.189 3.794 4.527 -0.906 0.000 0.298 183 F C 1.952 177.583 175.800 -0.283 0.000 1.113 183 F CA 1.581 59.437 58.000 -0.240 0.000 1.214 183 F CB -0.320 38.725 39.000 0.076 0.000 0.978 183 F HN 0.056 nan 8.300 nan 0.000 0.474 184 D N 0.418 120.773 120.400 -0.075 0.000 2.104 184 D HA -0.212 3.885 4.640 -0.905 0.000 0.194 184 D C 2.212 178.186 176.300 -0.544 0.000 0.994 184 D CA 1.684 55.498 54.000 -0.311 0.000 0.830 184 D CB -0.583 40.078 40.800 -0.232 0.000 0.959 184 D HN 0.347 nan 8.370 nan 0.000 0.452 185 I N 0.596 120.882 120.570 -0.474 0.000 2.353 185 I HA -0.138 3.489 4.170 -0.905 0.000 0.248 185 I C 2.185 177.880 176.117 -0.703 0.000 1.119 185 I CA 0.805 61.763 61.300 -0.569 0.000 1.417 185 I CB -0.262 37.303 38.000 -0.725 0.000 1.078 185 I HN -0.041 nan 8.210 nan 0.000 0.421 186 L N 0.095 120.834 121.223 -0.806 0.000 2.012 186 L HA -0.260 3.537 4.340 -0.905 0.000 0.210 186 L C 2.334 178.849 176.870 -0.592 0.000 1.073 186 L CA 1.807 56.236 54.840 -0.686 0.000 0.748 186 L CB -0.956 40.685 42.059 -0.697 0.000 0.891 186 L HN 0.318 nan 8.230 nan 0.000 0.431 187 N N 0.389 118.659 118.700 -0.716 0.000 2.120 187 N HA -0.165 4.032 4.740 -0.905 0.000 0.188 187 N C 1.854 177.110 175.510 -0.425 0.000 1.024 187 N CA 1.344 54.047 53.050 -0.578 0.000 0.852 187 N CB -0.194 37.931 38.487 -0.604 0.000 1.003 187 N HN 0.195 nan 8.380 nan 0.000 0.424 188 L N -0.157 120.797 121.223 -0.449 0.000 2.131 188 L HA -0.076 3.721 4.340 -0.905 0.000 0.210 188 L C 2.347 179.134 176.870 -0.137 0.000 1.092 188 L CA 0.843 55.514 54.840 -0.281 0.000 0.759 188 L CB -0.223 41.726 42.059 -0.184 0.000 0.903 188 L HN 0.155 nan 8.230 nan 0.000 0.435 189 R N -0.265 120.137 120.500 -0.164 0.000 2.127 189 R HA 0.086 3.883 4.340 -0.905 0.000 0.217 189 R C 2.091 178.385 176.300 -0.011 0.000 1.074 189 R CA 1.008 57.087 56.100 -0.036 0.000 0.991 189 R CB -0.107 30.152 30.300 -0.068 0.000 0.895 189 R HN 0.397 nan 8.270 nan 0.000 0.450 190 I N 0.154 120.634 120.570 -0.150 0.000 2.512 190 I HA -0.115 3.512 4.170 -0.905 0.000 0.247 190 I C 1.011 177.080 176.117 -0.080 0.000 1.094 190 I CA 1.168 62.389 61.300 -0.132 0.000 1.427 190 I CB -0.023 37.825 38.000 -0.253 0.000 1.149 190 I HN 0.119 nan 8.210 nan 0.000 0.438 191 N N -0.226 118.295 118.700 -0.299 0.000 2.368 191 N HA 0.272 4.469 4.740 -0.905 0.000 0.178 191 N C 0.411 175.483 175.510 -0.730 0.000 1.076 191 N CA 0.495 53.268 53.050 -0.462 0.000 0.889 191 N CB 0.920 38.912 38.487 -0.825 0.000 1.040 191 N HN 0.366 nan 8.380 nan 0.000 0.463 192 G N 0.323 108.559 108.800 -0.939 0.000 2.661 192 G HA2 -0.323 3.094 3.960 -0.905 0.000 0.685 192 G HA3 -0.323 3.094 3.960 -0.905 0.000 0.685 192 G C -0.152 174.400 174.900 -0.579 0.000 1.298 192 G CA -0.248 44.121 45.100 -1.218 0.000 0.855 192 G HN 0.178 nan 8.290 nan 0.000 0.560 193 Y N 0.433 120.192 120.300 -0.901 0.000 2.184 193 Y HA -0.017 3.988 4.550 -0.908 0.000 0.290 193 Y C 2.627 178.309 175.900 -0.364 0.000 1.129 193 Y CA 2.641 60.258 58.100 -0.804 0.000 1.144 193 Y CB -0.045 37.577 38.460 -1.397 0.000 0.995 193 Y HN 0.553 nan 8.280 nan 0.000 0.513 194 D N -0.679 119.615 120.400 -0.176 0.000 2.123 194 D HA -0.259 3.838 4.640 -0.905 0.000 0.196 194 D C 1.929 178.119 176.300 -0.184 0.000 0.992 194 D CA 1.802 55.720 54.000 -0.137 0.000 0.833 194 D CB -0.834 39.964 40.800 -0.004 0.000 0.954 194 D HN 0.509 nan 8.370 nan 0.000 0.455 195 Y N 0.548 120.693 120.300 -0.258 0.000 2.145 195 Y HA -0.273 3.734 4.550 -0.905 0.000 0.286 195 Y C 2.537 178.270 175.900 -0.278 0.000 1.145 195 Y CA 2.082 60.035 58.100 -0.246 0.000 1.148 195 Y CB -0.346 37.979 38.460 -0.226 0.000 0.981 195 Y HN 0.067 nan 8.280 nan 0.000 0.507 196 H N -0.034 118.893 119.070 -0.239 0.000 2.319 196 H HA -0.194 3.818 4.556 -0.906 0.000 0.299 196 H C 1.972 177.049 175.328 -0.418 0.000 1.092 196 H CA 2.561 58.417 56.048 -0.320 0.000 1.302 196 H CB -0.320 29.251 29.762 -0.317 0.000 1.373 196 H HN 0.314 nan 8.280 nan 0.000 0.497 197 I N 0.765 120.999 120.570 -0.560 0.000 2.315 197 I HA -0.196 3.431 4.170 -0.905 0.000 0.248 197 I C 2.215 178.075 176.117 -0.428 0.000 1.117 197 I CA 1.229 62.209 61.300 -0.533 0.000 1.404 197 I CB -0.998 36.676 38.000 -0.543 0.000 1.071 197 I HN 0.303 nan 8.210 nan 0.000 0.419 198 K N 0.382 120.523 120.400 -0.432 0.000 2.063 198 K HA -0.203 3.574 4.320 -0.905 0.000 0.208 198 K C 2.101 178.389 176.600 -0.520 0.000 1.048 198 K CA 1.175 57.210 56.287 -0.421 0.000 0.928 198 K CB -0.334 31.915 32.500 -0.418 0.000 0.713 198 K HN 0.116 nan 8.250 nan 0.000 0.442 199 L N 0.945 121.755 121.223 -0.689 0.000 2.046 199 L HA -0.160 3.637 4.340 -0.905 0.000 0.208 199 L C 2.074 178.595 176.870 -0.581 0.000 1.077 199 L CA 1.650 56.026 54.840 -0.772 0.000 0.747 199 L CB -0.302 41.214 42.059 -0.906 0.000 0.896 199 L HN 0.167 nan 8.230 nan 0.000 0.432 200 M N -0.501 118.804 119.600 -0.491 0.000 2.149 200 M HA -0.221 3.717 4.480 -0.905 0.000 0.261 200 M C 2.030 178.232 176.300 -0.164 0.000 1.064 200 M CA 1.642 56.780 55.300 -0.270 0.000 1.102 200 M CB -1.052 31.373 32.600 -0.293 0.000 1.369 200 M HN 0.258 nan 8.290 nan 0.000 0.408 201 K N -1.575 118.705 120.400 -0.200 0.000 2.487 201 K HA -0.058 3.719 4.320 -0.905 0.000 0.192 201 K C 0.036 176.376 176.600 -0.433 0.000 1.027 201 K CA 0.044 56.265 56.287 -0.111 0.000 1.054 201 K CB -0.267 32.202 32.500 -0.052 0.000 0.824 201 K HN 0.265 nan 8.250 nan 0.000 0.510 202 H N 0.610 119.269 119.070 -0.685 0.000 2.820 202 H HA -0.157 3.856 4.556 -0.905 0.000 0.295 202 H C 0.188 175.278 175.328 -0.396 0.000 1.187 202 H CA 0.979 56.641 56.048 -0.643 0.000 1.144 202 H CB -1.613 27.555 29.762 -0.990 0.000 1.354 202 H HN 0.406 nan 8.280 nan 0.000 0.395 203 E N -0.902 119.047 120.200 -0.418 0.000 2.371 203 E HA 0.155 3.962 4.350 -0.905 0.000 0.194 203 E C 0.122 176.486 176.600 -0.393 0.000 1.012 203 E CA 0.883 57.070 56.400 -0.355 0.000 0.860 203 E CB 0.794 30.335 29.700 -0.265 0.000 0.811 203 E HN 0.178 nan 8.360 nan 0.000 0.502 204 V N 2.192 121.815 119.914 -0.486 0.000 2.735 204 V HA 0.287 3.864 4.120 -0.905 0.000 0.310 204 V C -2.402 173.408 176.094 -0.475 0.000 1.061 204 V CA -2.130 59.898 62.300 -0.453 0.000 0.913 204 V CB 2.246 33.720 31.823 -0.581 0.000 1.005 204 V HN -0.034 nan 8.190 nan 0.000 0.428 205 P HA 0.202 nan 4.420 nan 0.000 0.279 205 P C -0.167 177.094 177.300 -0.066 0.000 1.252 205 P CA -0.413 62.617 63.100 -0.117 0.000 0.811 205 P CB 0.936 32.631 31.700 -0.008 0.000 1.035 206 W N 0.224 121.582 121.300 0.097 0.000 2.611 206 W HA -0.070 4.046 4.660 -0.907 0.000 0.251 206 W C 1.890 178.473 176.519 0.106 0.000 1.265 206 W CA 1.604 59.005 57.345 0.094 0.000 1.295 206 W CB -1.119 28.380 29.460 0.065 0.000 1.129 206 W HN 0.343 nan 8.180 nan 0.000 0.630 207 T N -3.454 111.244 114.554 0.240 0.000 3.129 207 T HA -0.001 3.806 4.350 -0.905 0.000 0.251 207 T C 0.233 175.008 174.700 0.125 0.000 1.117 207 T CA -0.141 62.061 62.100 0.169 0.000 1.034 207 T CB -0.269 68.674 68.868 0.126 0.000 0.968 207 T HN -0.071 nan 8.240 nan 0.000 0.526 208 D N 2.316 122.778 120.400 0.103 0.000 2.423 208 D HA 0.136 4.233 4.640 -0.905 0.000 0.238 208 D C -1.488 174.883 176.300 0.119 0.000 1.142 208 D CA -1.804 52.251 54.000 0.093 0.000 0.884 208 D CB 1.172 42.026 40.800 0.090 0.000 1.199 208 D HN -0.068 nan 8.370 nan 0.000 0.438 209 P HA -0.008 nan 4.420 nan 0.000 0.222 209 P C 1.203 178.529 177.300 0.043 0.000 1.147 209 P CA 0.829 63.968 63.100 0.065 0.000 0.790 209 P CB 0.125 31.844 31.700 0.033 0.000 0.780 210 G N -0.294 108.522 108.800 0.026 0.000 2.432 210 G HA2 -0.210 3.207 3.960 -0.905 0.000 0.219 210 G HA3 -0.210 3.207 3.960 -0.905 0.000 0.219 210 G C 1.541 176.434 174.900 -0.012 0.000 1.135 210 G CA 0.528 45.550 45.100 -0.130 0.000 0.767 210 G HN 0.177 nan 8.290 nan 0.000 0.550 211 V N 0.967 120.978 119.914 0.162 0.000 2.453 211 V HA -0.135 3.442 4.120 -0.905 0.000 0.247 211 V C 3.113 179.386 176.094 0.297 0.000 1.048 211 V CA 2.196 64.652 62.300 0.260 0.000 1.049 211 V CB -0.783 31.266 31.823 0.376 0.000 0.672 211 V HN 0.382 nan 8.190 nan 0.000 0.457 212 T N -0.208 114.486 114.554 0.233 0.000 2.720 212 T HA -0.230 3.577 4.350 -0.905 0.000 0.268 212 T C 1.906 176.702 174.700 0.159 0.000 1.037 212 T CA 1.486 63.719 62.100 0.222 0.000 1.144 212 T CB -0.219 68.734 68.868 0.141 0.000 0.864 212 T HN 0.461 nan 8.240 nan 0.000 0.444 213 K N 0.541 120.977 120.400 0.059 0.000 2.097 213 K HA -0.016 3.761 4.320 -0.905 0.000 0.205 213 K C 2.352 178.916 176.600 -0.059 0.000 1.050 213 K CA 0.768 57.047 56.287 -0.013 0.000 0.938 213 K CB -0.411 32.041 32.500 -0.080 0.000 0.718 213 K HN 0.152 nan 8.250 nan 0.000 0.442 214 V N 0.882 120.723 119.914 -0.122 0.000 2.287 214 V HA -0.253 3.324 4.120 -0.905 0.000 0.248 214 V C 1.977 177.980 176.094 -0.152 0.000 1.053 214 V CA 1.837 63.969 62.300 -0.280 0.000 1.027 214 V CB -0.508 30.975 31.823 -0.567 0.000 0.646 214 V HN 0.164 nan 8.190 nan 0.000 0.447 215 F N 0.289 120.264 119.950 0.042 0.000 2.259 215 F HA -0.092 3.893 4.527 -0.905 0.000 0.298 215 F C 2.269 178.151 175.800 0.137 0.000 1.088 215 F CA 1.371 59.355 58.000 -0.026 0.000 1.358 215 F CB -0.583 38.292 39.000 -0.209 0.000 1.040 215 F HN 0.198 nan 8.300 nan 0.000 0.505 216 D N -0.280 120.287 120.400 0.278 0.000 2.117 216 D HA -0.206 3.891 4.640 -0.905 0.000 0.197 216 D C 2.148 178.583 176.300 0.224 0.000 0.987 216 D CA 1.123 55.263 54.000 0.233 0.000 0.829 216 D CB -0.424 40.462 40.800 0.144 0.000 0.961 216 D HN 0.259 nan 8.370 nan 0.000 0.460 217 Q N -0.760 119.116 119.800 0.127 0.000 2.119 217 Q HA -0.121 3.676 4.340 -0.905 0.000 0.201 217 Q C 1.806 177.998 176.000 0.320 0.000 0.972 217 Q CA 0.951 56.797 55.803 0.072 0.000 0.847 217 Q CB -0.204 28.402 28.738 -0.220 0.000 0.903 217 Q HN 0.319 nan 8.270 nan 0.000 0.433 218 W N 1.025 122.418 121.300 0.156 0.000 2.402 218 W HA -0.053 4.064 4.660 -0.905 0.000 0.286 218 W C 1.507 178.294 176.519 0.446 0.000 1.221 218 W CA 1.127 58.652 57.345 0.300 0.000 1.257 218 W CB -0.191 29.407 29.460 0.231 0.000 1.120 218 W HN 0.180 nan 8.180 nan 0.000 0.551 219 R N 0.027 120.943 120.500 0.693 0.000 2.105 219 R HA -0.212 3.585 4.340 -0.905 0.000 0.239 219 R C 2.156 178.660 176.300 0.341 0.000 1.135 219 R CA 1.984 58.359 56.100 0.458 0.000 0.967 219 R CB -0.635 29.872 30.300 0.345 0.000 0.861 219 R HN 0.255 nan 8.270 nan 0.000 0.442 220 E N 0.696 121.129 120.200 0.389 0.000 2.028 220 E HA -0.201 3.607 4.350 -0.905 0.000 0.191 220 E C 1.941 178.778 176.600 0.394 0.000 0.988 220 E CA 0.849 57.474 56.400 0.375 0.000 0.799 220 E CB -0.036 29.966 29.700 0.502 0.000 0.755 220 E HN 0.122 nan 8.360 nan 0.000 0.447 221 L N 1.159 122.721 121.223 0.565 0.000 2.043 221 L HA -0.154 3.643 4.340 -0.905 0.000 0.212 221 L C 2.282 179.352 176.870 0.333 0.000 1.075 221 L CA 2.278 57.425 54.840 0.511 0.000 0.752 221 L CB -0.744 41.651 42.059 0.559 0.000 0.891 221 L HN 0.233 nan 8.230 nan 0.000 0.432 222 A N -0.754 122.290 122.820 0.373 0.000 2.070 222 A HA -0.070 3.707 4.320 -0.905 0.000 0.220 222 A C 2.417 179.996 177.584 -0.008 0.000 1.159 222 A CA 1.428 53.598 52.037 0.223 0.000 0.656 222 A CB -1.017 18.107 19.000 0.207 0.000 0.800 222 A HN 0.583 nan 8.150 nan 0.000 0.453 223 A N -1.478 121.229 122.820 -0.189 0.000 2.024 223 A HA -0.045 3.732 4.320 -0.905 0.000 0.220 223 A C 1.610 178.782 177.584 -0.686 0.000 1.164 223 A CA 1.446 53.167 52.037 -0.527 0.000 0.643 223 A CB -0.584 17.909 19.000 -0.845 0.000 0.806 223 A HN 0.640 nan 8.150 nan 0.000 0.451 224 Y N -0.457 119.848 120.300 0.008 0.000 2.531 224 Y HA 0.274 4.281 4.550 -0.905 0.000 0.249 224 Y C 0.687 176.587 175.900 -0.000 0.000 1.168 224 Y CA -0.545 57.530 58.100 -0.042 0.000 1.226 224 Y CB -0.015 38.351 38.460 -0.157 0.000 1.177 224 Y HN 0.309 nan 8.280 nan 0.000 0.527 225 Q N 1.099 120.959 119.800 0.100 0.000 2.235 225 Q HA 0.185 3.982 4.340 -0.905 0.000 0.250 225 Q C -0.235 175.882 176.000 0.196 0.000 0.909 225 Q CA -0.694 55.184 55.803 0.124 0.000 0.910 225 Q CB 1.497 30.215 28.738 -0.035 0.000 1.223 225 Q HN 0.268 nan 8.270 nan 0.000 0.432 226 Q N 2.247 122.213 119.800 0.276 0.000 2.283 226 Q HA -0.074 3.723 4.340 -0.905 0.000 0.301 226 Q C -0.683 175.456 176.000 0.232 0.000 1.063 226 Q CA 0.702 56.649 55.803 0.240 0.000 0.952 226 Q CB 0.588 29.483 28.738 0.262 0.000 1.166 226 Q HN 0.318 nan 8.270 nan 0.000 0.381 227 K N 1.500 121.987 120.400 0.146 0.000 2.180 227 K HA 0.206 3.983 4.320 -0.905 0.000 0.251 227 K C 0.633 177.294 176.600 0.102 0.000 1.014 227 K CA 0.474 56.829 56.287 0.114 0.000 0.913 227 K CB 0.455 32.995 32.500 0.067 0.000 1.008 227 K HN 0.957 nan 8.250 nan 0.000 0.490 228 G N 0.446 109.292 108.800 0.077 0.000 2.198 228 G HA2 -0.330 3.087 3.960 -0.905 0.000 0.260 228 G HA3 -0.330 3.087 3.960 -0.905 0.000 0.260 228 G C 0.808 175.736 174.900 0.046 0.000 1.025 228 G CA 0.497 45.627 45.100 0.050 0.000 0.769 228 G HN 0.693 nan 8.290 nan 0.000 0.507 229 A N 0.110 122.977 122.820 0.079 0.000 1.933 229 A HA -0.038 3.739 4.320 -0.905 0.000 0.218 229 A C 2.039 179.587 177.584 -0.061 0.000 1.175 229 A CA 2.042 54.084 52.037 0.010 0.000 0.628 229 A CB -0.480 18.550 19.000 0.050 0.000 0.814 229 A HN 0.666 nan 8.150 nan 0.000 0.444 230 N N -0.624 118.065 118.700 -0.017 0.000 2.453 230 N HA -0.048 4.149 4.740 -0.905 0.000 0.183 230 N C 1.382 176.874 175.510 -0.031 0.000 1.041 230 N CA 0.575 53.609 53.050 -0.027 0.000 0.900 230 N CB -0.105 38.380 38.487 -0.003 0.000 0.961 230 N HN 0.504 nan 8.380 nan 0.000 0.443 231 G N 0.012 108.797 108.800 -0.024 0.000 3.088 231 G HA2 0.027 3.444 3.960 -0.905 0.000 0.217 231 G HA3 0.027 3.444 3.960 -0.905 0.000 0.217 231 G C 0.315 175.194 174.900 -0.035 0.000 1.159 231 G CA -0.349 44.737 45.100 -0.024 0.000 0.760 231 G HN 0.095 nan 8.290 nan 0.000 0.550 232 R N 1.193 121.664 120.500 -0.048 0.000 2.460 232 R HA 0.467 4.264 4.340 -0.905 0.000 0.303 232 R C 0.131 176.382 176.300 -0.082 0.000 0.968 232 R CA -0.368 55.699 56.100 -0.056 0.000 0.889 232 R CB 0.956 31.234 30.300 -0.037 0.000 1.123 232 R HN 0.119 nan 8.270 nan 0.000 0.455 233 T N 1.233 115.727 114.554 -0.100 0.000 2.899 233 T HA 0.062 3.869 4.350 -0.905 0.000 0.295 233 T C 1.573 176.186 174.700 -0.145 0.000 1.033 233 T CA -0.754 61.257 62.100 -0.149 0.000 1.084 233 T CB 0.630 69.362 68.868 -0.227 0.000 0.979 233 T HN 0.889 nan 8.240 nan 0.000 0.532 234 W N 1.758 122.969 121.300 -0.149 0.000 2.363 234 W HA -0.155 3.962 4.660 -0.904 0.000 0.296 234 W C 1.148 177.615 176.519 -0.087 0.000 1.212 234 W CA 0.885 58.140 57.345 -0.149 0.000 1.260 234 W CB -0.952 28.370 29.460 -0.231 0.000 1.131 234 W HN 0.626 nan 8.180 nan 0.000 0.530 235 Q N 1.284 120.496 119.800 -0.980 0.000 2.124 235 Q HA -0.176 3.621 4.340 -0.905 0.000 0.202 235 Q C 1.728 177.543 176.000 -0.308 0.000 0.977 235 Q CA 2.379 57.681 55.803 -0.834 0.000 0.850 235 Q CB -0.625 27.561 28.738 -0.920 0.000 0.901 235 Q HN 0.184 nan 8.270 nan 0.000 0.429 236 D N -0.218 120.046 120.400 -0.227 0.000 2.178 236 D HA -0.070 4.027 4.640 -0.905 0.000 0.202 236 D C 1.659 177.941 176.300 -0.030 0.000 0.974 236 D CA 1.250 55.183 54.000 -0.112 0.000 0.841 236 D CB -0.178 40.566 40.800 -0.093 0.000 0.953 236 D HN 0.296 nan 8.370 nan 0.000 0.478 237 A N 0.929 123.757 122.820 0.014 0.000 1.898 237 A HA 0.008 3.785 4.320 -0.905 0.000 0.216 237 A C 2.297 179.954 177.584 0.121 0.000 1.181 237 A CA 1.920 54.014 52.037 0.096 0.000 0.620 237 A CB -0.646 18.442 19.000 0.147 0.000 0.819 237 A HN 0.216 nan 8.150 nan 0.000 0.442 238 A N -0.516 122.382 122.820 0.130 0.000 1.933 238 A HA -0.129 3.648 4.320 -0.905 0.000 0.218 238 A C 2.072 179.703 177.584 0.078 0.000 1.175 238 A CA 1.772 53.902 52.037 0.155 0.000 0.628 238 A CB -0.309 18.827 19.000 0.227 0.000 0.814 238 A HN 0.303 nan 8.150 nan 0.000 0.444 239 K N -0.111 120.284 120.400 -0.007 0.000 2.148 239 K HA 0.033 3.810 4.320 -0.905 0.000 0.204 239 K C 2.231 178.816 176.600 -0.025 0.000 1.050 239 K CA 1.200 57.450 56.287 -0.061 0.000 0.942 239 K CB -0.744 31.706 32.500 -0.084 0.000 0.724 239 K HN 0.446 nan 8.250 nan 0.000 0.446 240 A N 1.315 124.150 122.820 0.024 0.000 1.902 240 A HA -0.166 3.611 4.320 -0.905 0.000 0.217 240 A C 2.203 179.839 177.584 0.088 0.000 1.181 240 A CA 1.345 53.415 52.037 0.055 0.000 0.623 240 A CB -0.556 18.492 19.000 0.080 0.000 0.818 240 A HN 0.240 nan 8.150 nan 0.000 0.443 241 L N -0.002 121.301 121.223 0.132 0.000 2.017 241 L HA -0.143 3.655 4.340 -0.905 0.000 0.208 241 L C 2.281 179.244 176.870 0.155 0.000 1.073 241 L CA 2.719 57.678 54.840 0.198 0.000 0.745 241 L CB -0.654 41.571 42.059 0.277 0.000 0.894 241 L HN 0.589 nan 8.230 nan 0.000 0.432 242 E N -0.717 119.486 120.200 0.004 0.000 2.110 242 E HA -0.235 3.572 4.350 -0.905 0.000 0.193 242 E C 1.202 177.706 176.600 -0.160 0.000 0.988 242 E CA 1.217 57.416 56.400 -0.334 0.000 0.804 242 E CB -0.026 29.228 29.700 -0.744 0.000 0.745 242 E HN 0.540 nan 8.360 nan 0.000 0.458 243 N N 0.703 119.358 118.700 -0.075 0.000 2.449 243 N HA -0.018 4.179 4.740 -0.905 0.000 0.191 243 N C -0.402 175.123 175.510 0.024 0.000 1.161 243 N CA 0.434 53.464 53.050 -0.033 0.000 0.863 243 N CB 0.312 38.781 38.487 -0.029 0.000 0.980 243 N HN 0.167 nan 8.380 nan 0.000 0.458 244 K N -0.732 119.707 120.400 0.064 0.000 3.209 244 K HA -0.253 3.524 4.320 -0.905 0.000 0.289 244 K C 0.513 177.179 176.600 0.109 0.000 1.191 244 K CA 0.604 56.958 56.287 0.111 0.000 0.851 244 K CB -1.483 31.080 32.500 0.106 0.000 1.242 244 K HN 0.348 nan 8.250 nan 0.000 0.480 245 Q N -0.410 119.447 119.800 0.095 0.000 2.398 245 Q HA 0.175 3.972 4.340 -0.905 0.000 0.204 245 Q C 0.509 176.579 176.000 0.116 0.000 0.932 245 Q CA 0.834 56.691 55.803 0.090 0.000 0.916 245 Q CB 0.684 29.462 28.738 0.066 0.000 1.024 245 Q HN 0.452 nan 8.270 nan 0.000 0.504 246 A N -0.942 121.967 122.820 0.147 0.000 2.413 246 A HA 0.652 4.429 4.320 -0.905 0.000 0.307 246 A C 0.688 178.408 177.584 0.226 0.000 1.087 246 A CA -0.277 51.865 52.037 0.174 0.000 0.750 246 A CB 1.283 20.395 19.000 0.186 0.000 1.296 246 A HN 0.189 nan 8.150 nan 0.000 0.423 247 G N 0.105 109.043 108.800 0.230 0.000 2.494 247 G HA2 0.357 3.774 3.960 -0.905 0.000 0.216 247 G HA3 0.357 3.774 3.960 -0.905 0.000 0.216 247 G C 0.400 175.558 174.900 0.430 0.000 1.140 247 G CA 0.651 45.942 45.100 0.319 0.000 0.801 247 G HN 0.597 nan 8.290 nan 0.000 0.536 248 M N -0.995 118.813 119.600 0.346 0.000 2.622 248 M HA 0.584 4.521 4.480 -0.905 0.000 0.276 248 M C -1.428 175.073 176.300 0.334 0.000 1.265 248 M CA -0.566 54.957 55.300 0.372 0.000 0.850 248 M CB 2.822 35.647 32.600 0.374 0.000 1.720 248 M HN 0.020 nan 8.290 nan 0.000 0.465 249 M N 1.902 121.712 119.600 0.349 0.000 2.284 249 M HA 0.497 4.434 4.480 -0.905 0.000 0.281 249 M C -2.267 174.279 176.300 0.411 0.000 1.083 249 M CA -0.498 55.021 55.300 0.365 0.000 0.965 249 M CB 2.067 34.844 32.600 0.296 0.000 1.717 249 M HN 0.695 nan 8.290 nan 0.000 0.479 250 F N 5.068 125.197 119.950 0.297 0.000 2.391 250 F HA 0.649 4.635 4.527 -0.902 0.000 0.359 250 F C -0.504 175.427 175.800 0.218 0.000 1.122 250 F CA 0.474 58.640 58.000 0.278 0.000 1.120 250 F CB 0.696 39.919 39.000 0.373 0.000 1.142 250 F HN 0.773 nan 8.300 nan 0.000 0.483 251 Q N 2.622 122.121 119.800 -0.502 0.000 2.854 251 Q HA 0.389 4.186 4.340 -0.905 0.000 0.328 251 Q C -0.886 174.322 176.000 -1.320 0.000 0.808 251 Q CA -0.900 54.295 55.803 -1.013 0.000 0.817 251 Q CB 1.467 29.803 28.738 -0.669 0.000 1.377 251 Q HN 0.803 nan 8.270 nan 0.000 0.497 252 G N 0.156 107.816 108.800 -1.899 0.000 2.467 252 G HA2 0.246 3.663 3.960 -0.905 0.000 0.257 252 G HA3 0.246 3.663 3.960 -0.905 0.000 0.257 252 G C 0.867 175.362 174.900 -0.675 0.000 1.227 252 G CA 0.379 44.710 45.100 -1.281 0.000 0.835 252 G HN 0.573 nan 8.290 nan 0.000 0.556 253 S N 1.185 116.705 115.700 -0.300 0.000 2.402 253 S HA -0.187 3.740 4.470 -0.905 0.000 0.229 253 S C 1.857 175.988 174.600 -0.781 0.000 1.021 253 S CA 1.262 59.249 58.200 -0.354 0.000 0.974 253 S CB -0.285 62.909 63.200 -0.010 0.000 0.800 253 S HN 0.725 nan 8.310 nan 0.000 0.484 254 N N 1.353 119.584 118.700 -0.782 0.000 2.571 254 N HA -0.019 4.178 4.740 -0.905 0.000 0.189 254 N C 1.122 176.146 175.510 -0.811 0.000 1.154 254 N CA 0.632 53.158 53.050 -0.874 0.000 0.907 254 N CB -0.320 37.701 38.487 -0.777 0.000 0.977 254 N HN 0.668 nan 8.380 nan 0.000 0.449 255 Q N -0.423 118.843 119.800 -0.890 0.000 2.619 255 Q HA 0.252 4.049 4.340 -0.905 0.000 0.195 255 Q C 1.981 177.578 176.000 -0.673 0.000 0.910 255 Q CA 0.294 55.517 55.803 -0.967 0.000 0.862 255 Q CB 0.025 27.870 28.738 -1.489 0.000 1.123 255 Q HN 0.069 nan 8.270 nan 0.000 0.636 256 V N 1.514 120.942 119.914 -0.810 0.000 2.261 256 V HA -0.268 3.309 4.120 -0.905 0.000 0.246 256 V C 2.239 177.873 176.094 -0.767 0.000 1.047 256 V CA 2.174 64.065 62.300 -0.682 0.000 1.015 256 V CB -1.042 30.134 31.823 -1.079 0.000 0.642 256 V HN 0.476 nan 8.190 nan 0.000 0.446 257 A N -0.117 121.995 122.820 -1.180 0.000 1.930 257 A HA -0.041 3.736 4.320 -0.905 0.000 0.217 257 A C 2.391 179.378 177.584 -0.996 0.000 1.175 257 A CA 1.873 53.240 52.037 -1.117 0.000 0.627 257 A CB -0.763 17.518 19.000 -1.197 0.000 0.815 257 A HN 0.584 nan 8.150 nan 0.000 0.443 258 A N -0.072 122.016 122.820 -1.220 0.000 1.972 258 A HA -0.201 3.576 4.320 -0.905 0.000 0.219 258 A C 1.993 179.513 177.584 -0.106 0.000 1.169 258 A CA 1.614 53.301 52.037 -0.582 0.000 0.635 258 A CB -0.675 18.022 19.000 -0.505 0.000 0.810 258 A HN 0.652 nan 8.150 nan 0.000 0.446 259 N N -1.668 116.989 118.700 -0.073 0.000 2.409 259 N HA -0.069 4.128 4.740 -0.905 0.000 0.179 259 N C -0.421 175.146 175.510 0.095 0.000 1.032 259 N CA 0.095 53.181 53.050 0.060 0.000 0.898 259 N CB -0.043 38.521 38.487 0.129 0.000 0.971 259 N HN 0.411 nan 8.380 nan 0.000 0.441 260 Y N 1.821 122.055 120.300 -0.110 0.000 2.480 260 Y HA -0.039 3.968 4.550 -0.905 0.000 0.338 260 Y C 1.114 177.003 175.900 -0.018 0.000 1.220 260 Y CA -0.779 57.282 58.100 -0.065 0.000 1.430 260 Y CB 0.566 38.982 38.460 -0.072 0.000 1.311 260 Y HN -0.037 nan 8.280 nan 0.000 0.575 261 S N 1.575 117.286 115.700 0.018 0.000 2.579 261 S HA 0.303 4.230 4.470 -0.905 0.000 0.275 261 S C 1.190 175.837 174.600 0.078 0.000 1.345 261 S CA -0.424 57.790 58.200 0.023 0.000 1.031 261 S CB 1.135 64.313 63.200 -0.036 0.000 0.892 261 S HN 0.842 nan 8.310 nan 0.000 0.529 262 A N 2.449 125.302 122.820 0.055 0.000 1.940 262 A HA -0.098 3.679 4.320 -0.905 0.000 0.219 262 A C 2.209 179.823 177.584 0.050 0.000 1.176 262 A CA 1.295 53.362 52.037 0.050 0.000 0.631 262 A CB -0.652 18.357 19.000 0.015 0.000 0.814 262 A HN 0.800 nan 8.150 nan 0.000 0.446 263 K N -0.185 120.235 120.400 0.034 0.000 2.211 263 K HA -0.039 3.738 4.320 -0.905 0.000 0.203 263 K C 0.992 177.623 176.600 0.050 0.000 1.050 263 K CA 0.980 57.285 56.287 0.030 0.000 0.945 263 K CB -0.232 32.273 32.500 0.010 0.000 0.732 263 K HN 0.488 nan 8.250 nan 0.000 0.451 264 N N 0.649 119.391 118.700 0.071 0.000 2.356 264 N HA -0.050 4.147 4.740 -0.905 0.000 0.178 264 N C 1.641 177.322 175.510 0.285 0.000 1.075 264 N CA 0.085 53.208 53.050 0.122 0.000 0.889 264 N CB 0.030 38.505 38.487 -0.021 0.000 0.999 264 N HN 0.014 nan 8.380 nan 0.000 0.464 265 L N 2.495 123.880 121.223 0.271 0.000 2.081 265 L HA -0.048 3.750 4.340 -0.905 0.000 0.212 265 L C -0.979 175.961 176.870 0.116 0.000 1.080 265 L CA 1.953 56.923 54.840 0.217 0.000 0.754 265 L CB -1.279 40.890 42.059 0.184 0.000 0.893 265 L HN 0.006 nan 8.230 nan 0.000 0.433 266 P HA -0.143 nan 4.420 nan 0.000 0.219 266 P C 0.895 178.222 177.300 0.045 0.000 1.146 266 P CA 1.471 64.606 63.100 0.058 0.000 0.808 266 P CB 0.001 31.732 31.700 0.051 0.000 0.779 267 D N -1.855 118.589 120.400 0.074 0.000 2.349 267 D HA 0.001 4.098 4.640 -0.905 0.000 0.215 267 D C 0.254 176.547 176.300 -0.011 0.000 1.016 267 D CA -0.025 54.010 54.000 0.058 0.000 0.870 267 D CB -0.294 40.574 40.800 0.113 0.000 0.917 267 D HN -0.039 nan 8.370 nan 0.000 0.524 268 L N 0.698 121.894 121.223 -0.046 0.000 2.331 268 L HA 0.362 4.159 4.340 -0.905 0.000 0.278 268 L C -0.253 176.486 176.870 -0.217 0.000 1.106 268 L CA 0.316 55.037 54.840 -0.198 0.000 0.824 268 L CB 1.145 42.960 42.059 -0.407 0.000 1.142 268 L HN -0.169 nan 8.230 nan 0.000 0.443 269 D N 2.671 122.815 120.400 -0.425 0.000 2.744 269 D HA 0.570 4.667 4.640 -0.905 0.000 0.304 269 D C -1.455 174.599 176.300 -0.409 0.000 1.179 269 D CA -0.079 53.629 54.000 -0.486 0.000 1.024 269 D CB 1.791 42.151 40.800 -0.734 0.000 1.453 269 D HN 0.245 nan 8.370 nan 0.000 0.529 270 F N -0.702 119.060 119.950 -0.313 0.000 2.686 270 F HA 0.747 4.732 4.527 -0.903 0.000 0.311 270 F C -1.607 174.227 175.800 0.056 0.000 1.128 270 F CA -1.315 56.501 58.000 -0.307 0.000 0.946 270 F CB 0.959 39.421 39.000 -0.898 0.000 1.336 270 F HN 0.161 nan 8.300 nan 0.000 0.457 271 F N 0.683 120.814 119.950 0.302 0.000 2.588 271 F HA 0.808 4.792 4.527 -0.903 0.000 0.314 271 F C -0.479 175.464 175.800 0.238 0.000 1.069 271 F CA -1.780 56.330 58.000 0.184 0.000 0.931 271 F CB 0.781 39.808 39.000 0.044 0.000 1.260 271 F HN 0.654 nan 8.300 nan 0.000 0.465 272 V N 0.258 120.422 119.914 0.417 0.000 2.963 272 V HA 0.251 3.828 4.120 -0.905 0.000 0.306 272 V C 0.067 176.363 176.094 0.336 0.000 1.077 272 V CA -0.756 61.739 62.300 0.325 0.000 1.124 272 V CB 0.589 32.569 31.823 0.262 0.000 0.987 272 V HN 0.861 nan 8.190 nan 0.000 0.487 273 F N 5.483 125.514 119.950 0.135 0.000 2.629 273 F HA 0.336 4.321 4.527 -0.905 0.000 0.377 273 F C -1.755 174.013 175.800 -0.052 0.000 1.101 273 F CA -0.858 57.117 58.000 -0.042 0.000 1.301 273 F CB 0.318 39.218 39.000 -0.167 0.000 1.062 273 F HN 0.486 nan 8.300 nan 0.000 0.583 274 P HA 0.124 nan 4.420 nan 0.000 0.271 274 P C -1.321 176.020 177.300 0.068 0.000 1.233 274 P CA -0.226 62.764 63.100 -0.184 0.000 0.789 274 P CB 0.520 31.985 31.700 -0.393 0.000 0.951 275 A N 1.826 124.689 122.820 0.072 0.000 2.440 275 A HA 0.257 4.035 4.320 -0.905 0.000 0.251 275 A C 0.872 178.534 177.584 0.129 0.000 1.089 275 A CA 0.124 52.219 52.037 0.096 0.000 0.779 275 A CB -0.650 18.381 19.000 0.053 0.000 1.022 275 A HN 0.531 nan 8.150 nan 0.000 0.492 276 I N 0.710 121.330 120.570 0.083 0.000 3.345 276 I HA 0.091 3.718 4.170 -0.905 0.000 0.258 276 I C 0.530 176.632 176.117 -0.025 0.000 1.134 276 I CA 0.112 61.410 61.300 -0.003 0.000 1.457 276 I CB 0.053 37.950 38.000 -0.173 0.000 1.425 276 I HN 0.663 nan 8.210 nan 0.000 0.461 277 N N 2.174 120.870 118.700 -0.007 0.000 2.501 277 N HA 0.213 4.410 4.740 -0.905 0.000 0.245 277 N C -2.165 173.318 175.510 -0.045 0.000 0.974 277 N CA -2.312 50.722 53.050 -0.026 0.000 0.941 277 N CB 1.590 40.084 38.487 0.012 0.000 1.122 277 N HN -0.143 nan 8.380 nan 0.000 0.507 278 P HA -0.153 nan 4.420 nan 0.000 0.223 278 P C 1.074 178.285 177.300 -0.148 0.000 1.144 278 P CA 0.939 63.995 63.100 -0.074 0.000 0.783 278 P CB 0.322 31.987 31.700 -0.058 0.000 0.771 279 Q N -1.265 118.367 119.800 -0.279 0.000 2.181 279 Q HA -0.195 3.602 4.340 -0.905 0.000 0.205 279 Q C 0.750 176.436 176.000 -0.523 0.000 0.980 279 Q CA 1.492 57.006 55.803 -0.481 0.000 0.862 279 Q CB -0.193 28.076 28.738 -0.782 0.000 0.905 279 Q HN 0.284 nan 8.270 nan 0.000 0.429 280 Y N -1.119 119.181 120.300 0.000 0.000 2.467 280 Y HA 0.318 4.325 4.550 -0.904 0.000 0.250 280 Y C 1.458 177.310 175.900 -0.080 0.000 1.155 280 Y CA 0.001 58.104 58.100 0.006 0.000 1.249 280 Y CB 0.037 38.569 38.460 0.119 0.000 1.146 280 Y HN 0.236 nan 8.280 nan 0.000 0.524 281 G N 1.376 110.190 108.800 0.022 0.000 2.684 281 G HA2 -0.422 2.995 3.960 -0.905 0.000 0.342 281 G HA3 -0.422 2.995 3.960 -0.905 0.000 0.342 281 G C 0.929 175.841 174.900 0.020 0.000 1.316 281 G CA 1.614 46.713 45.100 -0.002 0.000 0.994 281 G HN 0.515 nan 8.290 nan 0.000 0.541 282 T N -3.048 111.499 114.554 -0.012 0.000 3.308 282 T HA 0.494 4.301 4.350 -0.905 0.000 0.270 282 T C 0.651 175.307 174.700 -0.074 0.000 0.992 282 T CA 0.767 62.874 62.100 0.012 0.000 0.931 282 T CB 0.763 69.664 68.868 0.055 0.000 1.142 282 T HN 0.298 nan 8.240 nan 0.000 0.525 283 D N 0.910 121.159 120.400 -0.253 0.000 2.348 283 D HA 0.072 4.169 4.640 -0.905 0.000 0.216 283 D C -0.376 175.574 176.300 -0.583 0.000 0.970 283 D CA 0.952 54.637 54.000 -0.525 0.000 0.889 283 D CB 0.128 40.367 40.800 -0.934 0.000 0.912 283 D HN 0.535 nan 8.370 nan 0.000 0.524 284 Y N -0.693 119.637 120.300 0.051 0.000 2.536 284 Y HA 0.558 4.564 4.550 -0.906 0.000 0.347 284 Y C 0.069 176.000 175.900 0.052 0.000 1.000 284 Y CA -1.060 57.062 58.100 0.037 0.000 1.051 284 Y CB 1.867 40.358 38.460 0.052 0.000 1.259 284 Y HN -0.330 nan 8.280 nan 0.000 0.468 285 M N 1.476 121.215 119.600 0.233 0.000 2.465 285 M HA 0.338 4.275 4.480 -0.905 0.000 0.284 285 M C -2.061 174.318 176.300 0.132 0.000 1.212 285 M CA -0.673 54.728 55.300 0.168 0.000 0.910 285 M CB 2.059 34.750 32.600 0.151 0.000 1.725 285 M HN 0.613 nan 8.290 nan 0.000 0.477 286 D N 2.984 123.440 120.400 0.093 0.000 2.358 286 D HA 0.454 4.551 4.640 -0.905 0.000 0.258 286 D C -0.704 175.612 176.300 0.026 0.000 1.223 286 D CA 0.567 54.577 54.000 0.016 0.000 0.886 286 D CB 1.074 41.776 40.800 -0.164 0.000 1.120 286 D HN 0.617 nan 8.370 nan 0.000 0.482 287 A N 4.568 127.380 122.820 -0.014 0.000 2.943 287 A HA 0.443 4.220 4.320 -0.905 0.000 0.327 287 A C -2.590 174.899 177.584 -0.158 0.000 1.141 287 A CA -1.387 50.589 52.037 -0.102 0.000 0.773 287 A CB 0.866 19.861 19.000 -0.008 0.000 1.143 287 A HN 0.192 nan 8.150 nan 0.000 0.463 288 P HA 0.151 nan 4.420 nan 0.000 0.262 288 P C -0.168 177.074 177.300 -0.097 0.000 1.199 288 P CA 0.994 63.984 63.100 -0.183 0.000 0.763 288 P CB 0.675 32.247 31.700 -0.213 0.000 0.790 289 T N 3.515 118.047 114.554 -0.037 0.000 2.770 289 T HA 0.304 4.111 4.350 -0.905 0.000 0.283 289 T C -0.353 174.288 174.700 -0.098 0.000 0.988 289 T CA -0.503 61.569 62.100 -0.046 0.000 0.957 289 T CB 0.636 69.508 68.868 0.006 0.000 0.930 289 T HN 0.187 nan 8.240 nan 0.000 0.443 290 D N 1.468 121.679 120.400 -0.314 0.000 2.229 290 D HA 0.752 4.849 4.640 -0.905 0.000 0.249 290 D C 0.594 176.603 176.300 -0.484 0.000 1.027 290 D CA 0.033 53.800 54.000 -0.389 0.000 0.923 290 D CB 1.857 42.335 40.800 -0.536 0.000 1.174 290 D HN 0.729 nan 8.370 nan 0.000 0.443 291 G N -0.456 108.063 108.800 -0.468 0.000 2.588 291 G HA2 0.563 3.980 3.960 -0.905 0.000 0.281 291 G HA3 0.563 3.980 3.960 -0.905 0.000 0.281 291 G C -1.753 172.622 174.900 -0.876 0.000 1.223 291 G CA -0.644 44.120 45.100 -0.560 0.000 0.871 291 G HN 0.288 nan 8.290 nan 0.000 0.492 292 F N 0.267 120.344 119.950 0.212 0.000 2.601 292 F HA 0.730 4.741 4.527 -0.861 0.000 0.309 292 F C 0.259 176.213 175.800 0.257 0.000 1.089 292 F CA -0.875 57.294 58.000 0.281 0.000 0.940 292 F CB 2.278 41.495 39.000 0.362 0.000 1.273 292 F HN 0.595 nan 8.300 nan 0.000 0.450 293 I N 0.081 120.898 120.570 0.413 0.000 3.002 293 I HA 0.688 4.315 4.170 -0.905 0.000 0.310 293 I C -1.759 174.479 176.117 0.202 0.000 1.087 293 I CA -1.151 60.326 61.300 0.296 0.000 1.017 293 I CB 2.707 40.855 38.000 0.245 0.000 1.226 293 I HN 0.606 nan 8.210 nan 0.000 0.443 294 L N 4.083 125.401 121.223 0.158 0.000 2.337 294 L HA 0.566 4.363 4.340 -0.905 0.000 0.269 294 L C -2.492 174.408 176.870 0.050 0.000 1.018 294 L CA -1.748 53.138 54.840 0.078 0.000 0.876 294 L CB 1.416 43.521 42.059 0.077 0.000 1.236 294 L HN 0.413 nan 8.230 nan 0.000 0.436 295 P HA -0.004 nan 4.420 nan 0.000 0.263 295 P C 0.181 177.447 177.300 -0.057 0.000 1.195 295 P CA 0.131 63.197 63.100 -0.056 0.000 0.762 295 P CB 0.773 32.403 31.700 -0.117 0.000 0.799 296 K N 4.161 124.528 120.400 -0.054 0.000 2.113 296 K HA -0.205 3.572 4.320 -0.905 0.000 0.208 296 K C 0.988 177.547 176.600 -0.068 0.000 1.047 296 K CA 1.597 57.857 56.287 -0.045 0.000 0.928 296 K CB 0.011 32.486 32.500 -0.041 0.000 0.716 296 K HN 0.315 nan 8.250 nan 0.000 0.446 297 K N 0.259 120.596 120.400 -0.105 0.000 2.487 297 K HA 0.045 3.822 4.320 -0.905 0.000 0.192 297 K C 0.798 177.329 176.600 -0.114 0.000 1.027 297 K CA 0.152 56.371 56.287 -0.114 0.000 1.054 297 K CB 0.439 32.852 32.500 -0.145 0.000 0.824 297 K HN 0.201 nan 8.250 nan 0.000 0.510 298 G N 1.569 110.305 108.800 -0.107 0.000 2.636 298 G HA2 0.057 3.474 3.960 -0.905 0.000 0.246 298 G HA3 0.057 3.474 3.960 -0.905 0.000 0.246 298 G C -0.440 174.424 174.900 -0.059 0.000 1.216 298 G CA -0.393 44.654 45.100 -0.088 0.000 0.854 298 G HN 0.073 nan 8.290 nan 0.000 0.572 299 K N 0.086 120.459 120.400 -0.046 0.000 2.139 299 K HA 0.266 4.043 4.320 -0.905 0.000 0.243 299 K C 0.153 176.737 176.600 -0.026 0.000 0.983 299 K CA -0.803 55.465 56.287 -0.032 0.000 0.890 299 K CB 0.895 33.380 32.500 -0.025 0.000 1.090 299 K HN 0.476 nan 8.250 nan 0.000 0.445 300 N N 0.426 119.114 118.700 -0.020 0.000 2.746 300 N HA -0.208 3.989 4.740 -0.905 0.000 0.250 300 N C 0.277 175.776 175.510 -0.019 0.000 1.055 300 N CA 0.677 53.717 53.050 -0.016 0.000 0.699 300 N CB -1.016 37.465 38.487 -0.011 0.000 0.919 300 N HN 0.786 nan 8.380 nan 0.000 0.548 301 A N 0.092 122.901 122.820 -0.019 0.000 1.940 301 A HA 0.060 3.837 4.320 -0.905 0.000 0.219 301 A C 2.406 179.984 177.584 -0.010 0.000 1.176 301 A CA 2.374 54.401 52.037 -0.016 0.000 0.631 301 A CB -0.793 18.199 19.000 -0.013 0.000 0.814 301 A HN 0.842 nan 8.150 nan 0.000 0.446 302 A N -0.167 122.648 122.820 -0.008 0.000 1.883 302 A HA 0.123 3.900 4.320 -0.905 0.000 0.217 302 A C 2.504 180.086 177.584 -0.003 0.000 1.186 302 A CA 2.230 54.264 52.037 -0.004 0.000 0.624 302 A CB -1.002 17.996 19.000 -0.003 0.000 0.822 302 A HN 1.091 nan 8.150 nan 0.000 0.444 303 A N -0.408 122.408 122.820 -0.007 0.000 1.930 303 A HA 0.253 4.030 4.320 -0.905 0.000 0.217 303 A C 2.462 180.041 177.584 -0.008 0.000 1.175 303 A CA 1.795 53.829 52.037 -0.006 0.000 0.627 303 A CB -0.885 18.111 19.000 -0.006 0.000 0.815 303 A HN 1.024 nan 8.150 nan 0.000 0.443 304 A N 0.036 122.845 122.820 -0.018 0.000 1.933 304 A HA -0.151 3.626 4.320 -0.905 0.000 0.218 304 A C 2.079 179.655 177.584 -0.012 0.000 1.175 304 A CA 1.777 53.793 52.037 -0.036 0.000 0.628 304 A CB -0.400 18.564 19.000 -0.060 0.000 0.814 304 A HN 0.531 nan 8.150 nan 0.000 0.444 305 K N -0.142 120.258 120.400 -0.000 0.000 2.147 305 K HA -0.107 3.670 4.320 -0.905 0.000 0.205 305 K C 1.971 178.580 176.600 0.015 0.000 1.049 305 K CA 1.439 57.733 56.287 0.012 0.000 0.936 305 K CB -0.115 32.392 32.500 0.012 0.000 0.722 305 K HN 0.432 nan 8.250 nan 0.000 0.446 306 K N 0.440 120.849 120.400 0.015 0.000 2.097 306 K HA -0.083 3.694 4.320 -0.905 0.000 0.205 306 K C 2.030 178.660 176.600 0.049 0.000 1.050 306 K CA 1.037 57.338 56.287 0.024 0.000 0.938 306 K CB -0.018 32.490 32.500 0.014 0.000 0.718 306 K HN -0.053 nan 8.250 nan 0.000 0.442 307 V N 1.983 121.923 119.914 0.045 0.000 2.358 307 V HA -0.216 3.361 4.120 -0.905 0.000 0.246 307 V C 2.229 178.390 176.094 0.111 0.000 1.047 307 V CA 1.469 63.817 62.300 0.081 0.000 1.035 307 V CB -0.393 31.474 31.823 0.073 0.000 0.658 307 V HN 0.268 nan 8.190 nan 0.000 0.452 308 L N -0.521 120.740 121.223 0.064 0.000 2.042 308 L HA -0.267 3.530 4.340 -0.905 0.000 0.210 308 L C 2.711 179.591 176.870 0.017 0.000 1.076 308 L CA 1.694 56.567 54.840 0.054 0.000 0.749 308 L CB -0.625 41.465 42.059 0.051 0.000 0.893 308 L HN 0.387 nan 8.230 nan 0.000 0.432 309 Q N -1.111 118.695 119.800 0.010 0.000 2.096 309 Q HA -0.284 3.513 4.340 -0.905 0.000 0.204 309 Q C 2.099 178.106 176.000 0.010 0.000 0.982 309 Q CA 2.172 57.963 55.803 -0.020 0.000 0.850 309 Q CB -0.342 28.394 28.738 -0.003 0.000 0.901 309 Q HN 0.504 nan 8.270 nan 0.000 0.422 310 Y N 0.897 121.181 120.300 -0.027 0.000 2.200 310 Y HA -0.184 3.817 4.550 -0.916 0.000 0.290 310 Y C 1.840 177.739 175.900 -0.002 0.000 1.137 310 Y CA 1.298 59.387 58.100 -0.018 0.000 1.163 310 Y CB -0.077 38.371 38.460 -0.021 0.000 0.988 310 Y HN 0.015 nan 8.280 nan 0.000 0.518 311 I N 0.018 120.590 120.570 0.003 0.000 2.361 311 I HA -0.207 3.420 4.170 -0.905 0.000 0.251 311 I C 1.857 177.958 176.117 -0.027 0.000 1.133 311 I CA 1.308 62.585 61.300 -0.037 0.000 1.413 311 I CB -0.750 37.251 38.000 0.002 0.000 1.073 311 I HN 0.371 nan 8.210 nan 0.000 0.424 312 G N 1.587 110.369 108.800 -0.029 0.000 3.471 312 G HA2 0.160 3.577 3.960 -0.905 0.000 0.254 312 G HA3 0.160 3.577 3.960 -0.905 0.000 0.254 312 G C 0.262 175.196 174.900 0.057 0.000 1.199 312 G CA 0.120 45.257 45.100 0.062 0.000 1.683 312 G HN 0.369 nan 8.290 nan 0.000 0.625 313 T N -4.422 110.096 114.554 -0.061 0.000 2.906 313 T HA 0.634 4.441 4.350 -0.905 0.000 0.295 313 T C 1.284 175.915 174.700 -0.116 0.000 1.075 313 T CA 0.091 62.102 62.100 -0.148 0.000 1.005 313 T CB 1.877 70.596 68.868 -0.248 0.000 1.136 313 T HN 0.177 nan 8.240 nan 0.000 0.498 314 A N 0.859 123.601 122.820 -0.130 0.000 1.940 314 A HA -0.045 3.733 4.320 -0.905 0.000 0.219 314 A C 1.998 179.543 177.584 -0.066 0.000 1.176 314 A CA 1.862 53.851 52.037 -0.079 0.000 0.631 314 A CB -1.047 17.899 19.000 -0.090 0.000 0.814 314 A HN 0.920 nan 8.150 nan 0.000 0.446 315 E N 0.021 120.158 120.200 -0.104 0.000 2.110 315 E HA -0.022 3.786 4.350 -0.905 0.000 0.193 315 E C 2.233 178.789 176.600 -0.074 0.000 0.988 315 E CA 1.304 57.656 56.400 -0.080 0.000 0.804 315 E CB -0.436 29.222 29.700 -0.071 0.000 0.745 315 E HN 0.595 nan 8.360 nan 0.000 0.458 316 A N 0.994 123.695 122.820 -0.198 0.000 1.898 316 A HA -0.233 3.545 4.320 -0.905 0.000 0.216 316 A C 1.960 179.591 177.584 0.079 0.000 1.181 316 A CA 1.625 53.575 52.037 -0.145 0.000 0.620 316 A CB -0.448 18.326 19.000 -0.378 0.000 0.819 316 A HN 0.211 nan 8.150 nan 0.000 0.442 317 E N -0.123 120.134 120.200 0.095 0.000 2.077 317 E HA -0.102 3.706 4.350 -0.905 0.000 0.193 317 E C 2.308 179.029 176.600 0.201 0.000 0.989 317 E CA 0.971 57.503 56.400 0.220 0.000 0.800 317 E CB -0.314 29.524 29.700 0.229 0.000 0.746 317 E HN 0.607 nan 8.360 nan 0.000 0.452 318 A N 1.588 124.459 122.820 0.084 0.000 1.902 318 A HA -0.113 3.664 4.320 -0.905 0.000 0.217 318 A C 2.397 180.000 177.584 0.032 0.000 1.181 318 A CA 1.663 53.707 52.037 0.012 0.000 0.623 318 A CB -0.650 18.311 19.000 -0.065 0.000 0.818 318 A HN 0.290 nan 8.150 nan 0.000 0.443 319 A N -1.030 121.828 122.820 0.064 0.000 1.858 319 A HA -0.080 3.697 4.320 -0.905 0.000 0.216 319 A C 2.075 179.708 177.584 0.081 0.000 1.190 319 A CA 1.661 53.736 52.037 0.064 0.000 0.617 319 A CB -0.824 18.234 19.000 0.097 0.000 0.827 319 A HN 0.701 nan 8.150 nan 0.000 0.443 320 F N 0.420 120.388 119.950 0.031 0.000 2.171 320 F HA -0.076 3.963 4.527 -0.813 0.000 0.300 320 F C 1.620 177.398 175.800 -0.036 0.000 1.090 320 F CA 1.551 59.565 58.000 0.023 0.000 1.293 320 F CB -0.101 38.973 39.000 0.125 0.000 1.013 320 F HN 0.112 nan 8.300 nan 0.000 0.486 321 L N -0.092 121.165 121.223 0.057 0.000 2.591 321 L HA -0.025 3.772 4.340 -0.905 0.000 0.228 321 L C 2.024 178.810 176.870 -0.141 0.000 1.133 321 L CA 0.208 55.019 54.840 -0.049 0.000 0.880 321 L CB -0.543 41.629 42.059 0.188 0.000 1.033 321 L HN 0.040 nan 8.230 nan 0.000 0.450 322 K N 0.340 120.648 120.400 -0.153 0.000 2.089 322 K HA -0.197 3.580 4.320 -0.905 0.000 0.210 322 K C 1.775 178.238 176.600 -0.229 0.000 1.048 322 K CA 2.086 58.282 56.287 -0.152 0.000 0.926 322 K CB -0.283 32.140 32.500 -0.129 0.000 0.714 322 K HN 0.414 nan 8.250 nan 0.000 0.448 323 T N -1.734 112.623 114.554 -0.330 0.000 3.145 323 T HA 0.052 3.859 4.350 -0.905 0.000 0.255 323 T C 0.000 174.307 174.700 -0.656 0.000 1.039 323 T CA -0.439 61.401 62.100 -0.434 0.000 0.928 323 T CB 0.172 68.840 68.868 -0.332 0.000 1.029 323 T HN -0.079 nan 8.240 nan 0.000 0.554 324 D N 0.990 121.044 120.400 -0.578 0.000 2.329 324 D HA 0.142 4.239 4.640 -0.905 0.000 0.232 324 D C 0.358 176.300 176.300 -0.596 0.000 1.088 324 D CA -0.459 53.210 54.000 -0.551 0.000 0.835 324 D CB 0.861 41.422 40.800 -0.399 0.000 1.078 324 D HN 0.228 nan 8.370 nan 0.000 0.495 325 H N 2.758 121.480 119.070 -0.580 0.000 2.553 325 H HA 0.073 4.089 4.556 -0.899 0.000 0.265 325 H C 0.493 175.056 175.328 -1.276 0.000 0.964 325 H CA 0.345 55.792 56.048 -1.001 0.000 1.156 325 H CB 0.497 29.450 29.762 -1.349 0.000 1.411 325 H HN 0.586 nan 8.280 nan 0.000 0.558 326 W N 0.272 121.553 121.300 -0.031 0.000 3.792 326 W HA 0.123 4.236 4.660 -0.912 0.000 0.217 326 W C 0.270 176.757 176.519 -0.053 0.000 1.098 326 W CA -0.491 56.812 57.345 -0.069 0.000 1.657 326 W CB 0.260 29.631 29.460 -0.147 0.000 0.773 326 W HN -0.199 nan 8.180 nan 0.000 0.836 327 D N 1.719 122.181 120.400 0.103 0.000 2.382 327 D HA 0.250 4.348 4.640 -0.905 0.000 0.240 327 D C 0.039 176.398 176.300 0.099 0.000 1.146 327 D CA 0.605 54.698 54.000 0.156 0.000 0.897 327 D CB 1.818 42.611 40.800 -0.012 0.000 1.197 327 D HN -0.119 nan 8.370 nan 0.000 0.432 328 V N -1.885 118.146 119.914 0.195 0.000 2.789 328 V HA 0.733 4.310 4.120 -0.905 0.000 0.311 328 V C 0.446 176.742 176.094 0.337 0.000 1.073 328 V CA -1.091 61.289 62.300 0.134 0.000 0.921 328 V CB 1.498 33.273 31.823 -0.080 0.000 1.009 328 V HN 0.518 nan 8.190 nan 0.000 0.426 329 G N 1.732 110.784 108.800 0.421 0.000 2.554 329 G HA2 0.391 3.808 3.960 -0.905 0.000 0.238 329 G HA3 0.391 3.808 3.960 -0.905 0.000 0.238 329 G C 0.162 175.255 174.900 0.322 0.000 1.259 329 G CA -0.365 44.967 45.100 0.387 0.000 0.843 329 G HN 0.866 nan 8.290 nan 0.000 0.582 330 L N 1.407 122.837 121.223 0.345 0.000 2.567 330 L HA 0.283 4.080 4.340 -0.905 0.000 0.225 330 L C 2.114 179.170 176.870 0.311 0.000 1.119 330 L CA 0.450 55.507 54.840 0.362 0.000 0.871 330 L CB -0.432 41.893 42.059 0.443 0.000 1.036 330 L HN 0.602 nan 8.230 nan 0.000 0.459 331 A N 0.207 123.126 122.820 0.164 0.000 2.511 331 A HA 0.119 3.896 4.320 -0.905 0.000 0.242 331 A C 0.296 177.823 177.584 -0.095 0.000 1.069 331 A CA -0.243 51.675 52.037 -0.200 0.000 0.763 331 A CB -0.239 18.636 19.000 -0.209 0.000 1.001 331 A HN 0.269 nan 8.150 nan 0.000 0.498 332 N N 1.071 119.671 118.700 -0.167 0.000 2.412 332 N HA 0.264 4.461 4.740 -0.905 0.000 0.258 332 N C 1.269 176.758 175.510 -0.035 0.000 1.236 332 N CA 1.603 54.622 53.050 -0.053 0.000 0.882 332 N CB 0.681 39.134 38.487 -0.057 0.000 1.066 332 N HN 1.250 nan 8.380 nan 0.000 0.465 333 G N 0.734 109.542 108.800 0.013 0.000 2.155 333 G HA2 -0.282 3.135 3.960 -0.905 0.000 0.257 333 G HA3 -0.282 3.135 3.960 -0.905 0.000 0.257 333 G C -0.040 174.873 174.900 0.021 0.000 0.983 333 G CA 0.154 45.264 45.100 0.017 0.000 0.676 333 G HN 0.552 nan 8.290 nan 0.000 0.528 334 L N 1.711 122.959 121.223 0.041 0.000 2.278 334 L HA 0.650 4.447 4.340 -0.905 0.000 0.287 334 L C -0.077 176.856 176.870 0.105 0.000 1.072 334 L CA -0.739 54.125 54.840 0.040 0.000 0.819 334 L CB 0.439 42.526 42.059 0.046 0.000 1.176 334 L HN 0.110 nan 8.230 nan 0.000 0.435 335 I N 6.360 126.940 120.570 0.017 0.000 2.464 335 I HA 0.363 3.991 4.170 -0.905 0.000 0.277 335 I C 0.498 176.441 176.117 -0.291 0.000 1.040 335 I CA -0.464 60.842 61.300 0.010 0.000 1.153 335 I CB 0.851 38.899 38.000 0.081 0.000 1.274 335 I HN 0.741 nan 8.210 nan 0.000 0.469 336 A N 9.009 131.304 122.820 -0.875 0.000 2.445 336 A HA 0.429 4.206 4.320 -0.905 0.000 0.242 336 A C -1.202 176.101 177.584 -0.468 0.000 1.075 336 A CA -0.719 50.876 52.037 -0.737 0.000 0.777 336 A CB -0.162 18.255 19.000 -0.972 0.000 1.013 336 A HN 0.527 nan 8.150 nan 0.000 0.493 337 P HA -0.090 nan 4.420 nan 0.000 0.226 337 P C 1.131 178.378 177.300 -0.088 0.000 1.153 337 P CA 1.772 64.796 63.100 -0.127 0.000 0.777 337 P CB -0.175 31.471 31.700 -0.091 0.000 0.794 338 T N -6.116 108.369 114.554 -0.116 0.000 3.081 338 T HA 0.025 3.832 4.350 -0.905 0.000 0.250 338 T C 0.698 175.457 174.700 0.098 0.000 1.100 338 T CA -0.211 61.875 62.100 -0.024 0.000 1.038 338 T CB -0.716 68.129 68.868 -0.038 0.000 0.962 338 T HN -0.157 nan 8.240 nan 0.000 0.516 339 Y N 4.647 124.939 120.300 -0.014 0.000 2.610 339 Y HA 0.306 4.310 4.550 -0.911 0.000 0.332 339 Y C 1.027 176.923 175.900 -0.008 0.000 1.201 339 Y CA -1.736 56.359 58.100 -0.008 0.000 1.465 339 Y CB -0.073 38.401 38.460 0.023 0.000 1.283 339 Y HN 0.412 nan 8.280 nan 0.000 0.563 340 N N 0.603 119.375 118.700 0.120 0.000 2.364 340 N HA 0.062 4.260 4.740 -0.905 0.000 0.264 340 N C 0.277 175.839 175.510 0.086 0.000 1.263 340 N CA -0.313 52.771 53.050 0.057 0.000 0.959 340 N CB 0.462 38.934 38.487 -0.025 0.000 1.204 340 N HN 0.368 nan 8.380 nan 0.000 0.550 341 D N -0.543 119.903 120.400 0.077 0.000 2.144 341 D HA -0.055 4.042 4.640 -0.905 0.000 0.199 341 D C 1.777 178.140 176.300 0.105 0.000 0.984 341 D CA 0.807 54.852 54.000 0.075 0.000 0.834 341 D CB -0.078 40.750 40.800 0.046 0.000 0.955 341 D HN 0.413 nan 8.370 nan 0.000 0.465 342 I N 1.051 121.725 120.570 0.173 0.000 2.179 342 I HA -0.233 3.394 4.170 -0.905 0.000 0.242 342 I C 2.313 178.599 176.117 0.281 0.000 1.088 342 I CA 1.213 62.702 61.300 0.314 0.000 1.357 342 I CB -0.968 37.305 38.000 0.454 0.000 1.051 342 I HN 0.113 nan 8.210 nan 0.000 0.409 343 Q N 0.560 120.435 119.800 0.126 0.000 2.050 343 Q HA -0.212 3.585 4.340 -0.905 0.000 0.202 343 Q C 2.250 178.198 176.000 -0.087 0.000 0.980 343 Q CA 1.541 57.286 55.803 -0.096 0.000 0.840 343 Q CB -0.093 28.390 28.738 -0.424 0.000 0.898 343 Q HN 0.474 nan 8.270 nan 0.000 0.424 344 K N 0.779 121.202 120.400 0.037 0.000 2.063 344 K HA -0.198 3.579 4.320 -0.905 0.000 0.208 344 K C 2.065 178.727 176.600 0.103 0.000 1.048 344 K CA 1.275 57.629 56.287 0.112 0.000 0.928 344 K CB -0.119 32.459 32.500 0.129 0.000 0.713 344 K HN 0.029 nan 8.250 nan 0.000 0.442 345 K N 0.680 121.141 120.400 0.102 0.000 2.148 345 K HA -0.072 3.705 4.320 -0.905 0.000 0.204 345 K C 2.056 178.827 176.600 0.285 0.000 1.050 345 K CA 1.275 57.612 56.287 0.082 0.000 0.942 345 K CB 0.120 32.517 32.500 -0.172 0.000 0.724 345 K HN -0.023 nan 8.250 nan 0.000 0.446 346 S N 0.325 116.242 115.700 0.363 0.000 2.368 346 S HA -0.122 3.805 4.470 -0.905 0.000 0.225 346 S C 1.892 176.603 174.600 0.185 0.000 1.030 346 S CA 1.279 59.662 58.200 0.305 0.000 0.999 346 S CB -0.159 63.145 63.200 0.175 0.000 0.844 346 S HN 0.109 nan 8.310 nan 0.000 0.459 347 V N 1.974 121.964 119.914 0.128 0.000 2.295 347 V HA -0.224 3.354 4.120 -0.905 0.000 0.246 347 V C 2.646 178.823 176.094 0.139 0.000 1.049 347 V CA 1.779 64.159 62.300 0.134 0.000 1.024 347 V CB -1.189 30.730 31.823 0.159 0.000 0.648 347 V HN 0.546 nan 8.190 nan 0.000 0.447 348 A N -0.553 122.347 122.820 0.133 0.000 1.877 348 A HA -0.188 3.590 4.320 -0.905 0.000 0.216 348 A C 2.210 179.866 177.584 0.121 0.000 1.186 348 A CA 1.685 53.788 52.037 0.111 0.000 0.620 348 A CB -0.391 18.660 19.000 0.085 0.000 0.822 348 A HN 0.525 nan 8.150 nan 0.000 0.443 349 E N -0.109 120.189 120.200 0.164 0.000 2.076 349 E HA -0.053 3.754 4.350 -0.905 0.000 0.190 349 E C 2.001 178.690 176.600 0.149 0.000 0.979 349 E CA 0.840 57.347 56.400 0.178 0.000 0.807 349 E CB -0.395 29.483 29.700 0.296 0.000 0.761 349 E HN 0.723 nan 8.360 nan 0.000 0.454 350 I N 0.831 121.490 120.570 0.148 0.000 2.286 350 I HA -0.160 3.467 4.170 -0.905 0.000 0.248 350 I C 2.391 178.576 176.117 0.114 0.000 1.115 350 I CA 1.258 62.632 61.300 0.123 0.000 1.392 350 I CB -0.460 37.614 38.000 0.122 0.000 1.065 350 I HN 0.090 nan 8.210 nan 0.000 0.418 351 G N 0.791 109.661 108.800 0.117 0.000 2.471 351 G HA2 -0.192 3.226 3.960 -0.905 0.000 0.219 351 G HA3 -0.192 3.226 3.960 -0.905 0.000 0.219 351 G C 1.690 176.639 174.900 0.082 0.000 1.125 351 G CA 0.349 45.513 45.100 0.106 0.000 0.775 351 G HN 0.346 nan 8.290 nan 0.000 0.548 352 K N -0.592 119.852 120.400 0.074 0.000 2.288 352 K HA 0.058 3.836 4.320 -0.905 0.000 0.201 352 K C 0.656 177.273 176.600 0.027 0.000 1.048 352 K CA -0.109 56.207 56.287 0.049 0.000 0.956 352 K CB -0.047 32.483 32.500 0.049 0.000 0.746 352 K HN 0.212 nan 8.250 nan 0.000 0.461 353 C N 2.098 121.421 119.300 0.038 0.000 2.648 353 C HA 0.056 3.973 4.460 -0.905 0.000 0.419 353 C C 1.914 176.904 174.990 0.001 0.000 1.352 353 C CA -0.523 58.499 59.018 0.007 0.000 1.816 353 C CB 0.553 28.325 27.740 0.053 0.000 2.598 353 C HN 0.470 nan 8.230 nan 0.000 0.598 354 K N 1.281 121.648 120.400 -0.056 0.000 2.097 354 K HA -0.054 3.723 4.320 -0.905 0.000 0.206 354 K C 0.405 177.016 176.600 0.019 0.000 1.049 354 K CA 1.229 57.507 56.287 -0.015 0.000 0.933 354 K CB 0.156 32.625 32.500 -0.051 0.000 0.717 354 K HN 0.745 nan 8.250 nan 0.000 0.442 355 S N -0.429 115.302 115.700 0.051 0.000 2.541 355 S HA 0.382 4.309 4.470 -0.905 0.000 0.271 355 S C -1.469 173.099 174.600 -0.052 0.000 1.133 355 S CA -0.904 57.192 58.200 -0.173 0.000 0.876 355 S CB 2.233 64.926 63.200 -0.846 0.000 1.105 355 S HN 0.137 nan 8.310 nan 0.000 0.470 356 V N 0.439 120.320 119.914 -0.055 0.000 2.540 356 V HA 0.917 4.494 4.120 -0.905 0.000 0.302 356 V C 0.114 176.331 176.094 0.206 0.000 1.035 356 V CA -0.764 61.593 62.300 0.095 0.000 0.873 356 V CB 1.227 33.105 31.823 0.091 0.000 0.992 356 V HN 0.933 nan 8.190 nan 0.000 0.428 357 S N 3.521 119.390 115.700 0.282 0.000 2.686 357 S HA 0.524 4.451 4.470 -0.905 0.000 0.270 357 S C 0.132 174.817 174.600 0.142 0.000 1.194 357 S CA -0.652 57.720 58.200 0.287 0.000 0.990 357 S CB 1.455 64.804 63.200 0.249 0.000 1.029 357 S HN 0.784 nan 8.310 nan 0.000 0.560 358 Q N -0.251 119.620 119.800 0.118 0.000 2.135 358 Q HA 0.398 4.195 4.340 -0.905 0.000 0.222 358 Q C -0.845 175.220 176.000 0.108 0.000 0.808 358 Q CA -0.331 55.522 55.803 0.083 0.000 1.049 358 Q CB -0.109 28.694 28.738 0.108 0.000 1.168 358 Q HN 0.673 nan 8.270 nan 0.000 0.483 359 F N 0.258 120.128 119.950 -0.134 0.000 2.180 359 F HA -0.328 3.656 4.527 -0.906 0.000 0.348 359 F C 1.050 176.809 175.800 -0.069 0.000 1.291 359 F CA 0.270 58.138 58.000 -0.220 0.000 1.030 359 F CB -0.001 38.805 39.000 -0.323 0.000 3.993 359 F HN 0.117 nan 8.300 nan 0.000 0.278 360 M N 2.619 121.747 119.600 -0.786 0.000 2.144 360 M HA -0.200 3.737 4.480 -0.905 0.000 0.260 360 M C 1.618 177.771 176.300 -0.246 0.000 1.067 360 M CA 2.493 57.542 55.300 -0.418 0.000 1.095 360 M CB -0.283 32.061 32.600 -0.428 0.000 1.365 360 M HN 0.711 nan 8.290 nan 0.000 0.406 361 E N -0.063 120.000 120.200 -0.228 0.000 2.265 361 E HA -0.191 3.616 4.350 -0.905 0.000 0.196 361 E C 1.759 178.390 176.600 0.051 0.000 0.996 361 E CA 1.041 57.451 56.400 0.017 0.000 0.832 361 E CB -0.046 29.770 29.700 0.193 0.000 0.756 361 E HN 0.645 nan 8.360 nan 0.000 0.491 362 R N -0.254 120.291 120.500 0.074 0.000 2.279 362 R HA 0.053 3.851 4.340 -0.905 0.000 0.195 362 R C 1.287 177.682 176.300 0.158 0.000 0.905 362 R CA 0.102 56.283 56.100 0.135 0.000 1.044 362 R CB 0.467 30.827 30.300 0.100 0.000 1.056 362 R HN -0.022 nan 8.270 nan 0.000 0.535 363 D N 0.171 120.621 120.400 0.083 0.000 2.333 363 D HA -0.009 4.088 4.640 -0.905 0.000 0.208 363 D C 0.656 177.016 176.300 0.099 0.000 0.984 363 D CA 0.999 55.050 54.000 0.084 0.000 0.873 363 D CB 0.581 41.378 40.800 -0.005 0.000 0.935 363 D HN 0.003 nan 8.370 nan 0.000 0.521 364 T N -0.566 113.989 114.554 0.002 0.000 2.883 364 T HA 0.427 4.234 4.350 -0.905 0.000 0.284 364 T C -0.404 174.096 174.700 -0.333 0.000 1.041 364 T CA -0.786 61.241 62.100 -0.122 0.000 1.007 364 T CB 1.516 70.380 68.868 -0.006 0.000 1.220 364 T HN -0.153 nan 8.240 nan 0.000 0.552 365 V N 1.405 120.973 119.914 -0.578 0.000 2.881 365 V HA 0.426 4.003 4.120 -0.905 0.000 0.303 365 V C -1.864 174.063 176.094 -0.279 0.000 1.070 365 V CA -1.202 60.775 62.300 -0.538 0.000 1.074 365 V CB 0.533 31.913 31.823 -0.737 0.000 1.012 365 V HN 0.697 nan 8.190 nan 0.000 0.482 366 P HA -0.117 nan 4.420 nan 0.000 0.216 366 P C 1.070 178.292 177.300 -0.130 0.000 1.153 366 P CA 1.754 64.791 63.100 -0.105 0.000 0.858 366 P CB 0.107 31.776 31.700 -0.053 0.000 0.789 367 D N -1.707 118.582 120.400 -0.185 0.000 2.149 367 D HA -0.164 3.933 4.640 -0.905 0.000 0.198 367 D C 1.779 177.961 176.300 -0.198 0.000 0.990 367 D CA 1.209 55.097 54.000 -0.186 0.000 0.839 367 D CB -0.527 40.133 40.800 -0.233 0.000 0.948 367 D HN 0.078 nan 8.370 nan 0.000 0.460 368 M N 0.584 120.047 119.600 -0.227 0.000 2.123 368 M HA 0.054 3.991 4.480 -0.905 0.000 0.263 368 M C 1.925 178.121 176.300 -0.173 0.000 1.069 368 M CA 1.282 56.475 55.300 -0.179 0.000 1.133 368 M CB -0.494 32.091 32.600 -0.026 0.000 1.356 368 M HN -0.037 nan 8.290 nan 0.000 0.415 369 A N 0.339 123.082 122.820 -0.127 0.000 1.908 369 A HA -0.195 3.582 4.320 -0.905 0.000 0.218 369 A C 1.968 179.500 177.584 -0.085 0.000 1.181 369 A CA 2.119 54.093 52.037 -0.106 0.000 0.627 369 A CB -1.082 17.875 19.000 -0.072 0.000 0.818 369 A HN 0.643 nan 8.150 nan 0.000 0.445 370 N N 0.320 118.977 118.700 -0.072 0.000 2.244 370 N HA -0.070 4.127 4.740 -0.905 0.000 0.183 370 N C 1.825 177.289 175.510 -0.077 0.000 1.016 370 N CA 1.429 54.454 53.050 -0.041 0.000 0.866 370 N CB -0.537 37.929 38.487 -0.033 0.000 0.980 370 N HN 0.487 nan 8.380 nan 0.000 0.430 371 A N 0.956 123.694 122.820 -0.137 0.000 1.930 371 A HA -0.056 3.721 4.320 -0.905 0.000 0.217 371 A C 2.125 179.589 177.584 -0.200 0.000 1.175 371 A CA 1.087 53.021 52.037 -0.172 0.000 0.627 371 A CB -0.243 18.621 19.000 -0.227 0.000 0.815 371 A HN 0.081 nan 8.150 nan 0.000 0.443 372 M N -0.391 119.061 119.600 -0.246 0.000 2.229 372 M HA 0.014 3.951 4.480 -0.905 0.000 0.264 372 M C 2.053 178.295 176.300 -0.097 0.000 1.063 372 M CA 0.854 55.998 55.300 -0.261 0.000 1.114 372 M CB -1.248 31.142 32.600 -0.349 0.000 1.387 372 M HN 0.417 nan 8.290 nan 0.000 0.420 373 I N 0.131 120.679 120.570 -0.036 0.000 2.113 373 I HA -0.388 3.239 4.170 -0.905 0.000 0.242 373 I C 2.606 178.741 176.117 0.030 0.000 1.064 373 I CA 1.593 62.918 61.300 0.043 0.000 1.320 373 I CB -0.473 37.572 38.000 0.075 0.000 1.028 373 I HN 0.326 nan 8.210 nan 0.000 0.406 374 K N 0.903 121.298 120.400 -0.009 0.000 2.097 374 K HA -0.118 3.659 4.320 -0.905 0.000 0.205 374 K C 2.153 178.740 176.600 -0.022 0.000 1.050 374 K CA 1.064 57.344 56.287 -0.013 0.000 0.938 374 K CB 0.017 32.498 32.500 -0.032 0.000 0.718 374 K HN 0.261 nan 8.250 nan 0.000 0.442 375 L N 0.617 121.807 121.223 -0.056 0.000 2.093 375 L HA -0.141 3.656 4.340 -0.905 0.000 0.208 375 L C 2.251 179.114 176.870 -0.013 0.000 1.085 375 L CA 0.923 55.720 54.840 -0.072 0.000 0.755 375 L CB -0.262 41.709 42.059 -0.147 0.000 0.904 375 L HN 0.186 nan 8.230 nan 0.000 0.435 376 I N -0.691 119.909 120.570 0.051 0.000 2.439 376 I HA -0.257 3.370 4.170 -0.905 0.000 0.251 376 I C 2.540 178.743 176.117 0.143 0.000 1.139 376 I CA 1.048 62.441 61.300 0.156 0.000 1.438 376 I CB -0.149 38.011 38.000 0.268 0.000 1.085 376 I HN 0.330 nan 8.210 nan 0.000 0.427 377 Q N 0.135 119.991 119.800 0.093 0.000 2.124 377 Q HA -0.283 3.514 4.340 -0.905 0.000 0.202 377 Q C 2.203 178.220 176.000 0.027 0.000 0.977 377 Q CA 1.476 57.318 55.803 0.065 0.000 0.850 377 Q CB -0.123 28.638 28.738 0.038 0.000 0.901 377 Q HN 0.513 nan 8.270 nan 0.000 0.429 378 Q N -0.102 119.705 119.800 0.012 0.000 2.084 378 Q HA -0.204 3.594 4.340 -0.905 0.000 0.202 378 Q C 1.821 177.802 176.000 -0.031 0.000 0.978 378 Q CA 1.274 57.066 55.803 -0.019 0.000 0.844 378 Q CB -0.107 28.612 28.738 -0.032 0.000 0.898 378 Q HN 0.370 nan 8.270 nan 0.000 0.426 379 F N 0.799 120.653 119.950 -0.160 0.000 2.102 379 F HA -0.192 3.792 4.527 -0.905 0.000 0.298 379 F C 1.762 177.454 175.800 -0.180 0.000 1.105 379 F CA 1.479 59.349 58.000 -0.217 0.000 1.239 379 F CB -0.251 38.558 39.000 -0.318 0.000 0.991 379 F HN 0.057 nan 8.300 nan 0.000 0.474 380 I N 0.455 120.912 120.570 -0.187 0.000 2.208 380 I HA -0.337 3.290 4.170 -0.905 0.000 0.245 380 I C 2.004 178.010 176.117 -0.186 0.000 1.097 380 I CA 1.664 62.856 61.300 -0.181 0.000 1.363 380 I CB -0.632 37.435 38.000 0.112 0.000 1.051 380 I HN 0.133 nan 8.210 nan 0.000 0.413 381 D N 0.497 120.822 120.400 -0.126 0.000 2.178 381 D HA -0.117 3.980 4.640 -0.905 0.000 0.201 381 D C 0.700 176.911 176.300 -0.148 0.000 0.980 381 D CA 1.250 55.189 54.000 -0.101 0.000 0.842 381 D CB 0.007 40.767 40.800 -0.066 0.000 0.948 381 D HN 0.465 nan 8.370 nan 0.000 0.472 382 Q N -0.164 119.499 119.800 -0.228 0.000 3.550 382 Q HA 0.178 3.975 4.340 -0.905 0.000 0.206 382 Q C -2.572 173.208 176.000 -0.366 0.000 0.891 382 Q CA -1.170 54.498 55.803 -0.224 0.000 0.737 382 Q CB 2.628 31.285 28.738 -0.135 0.000 1.417 382 Q HN 0.051 nan 8.270 nan 0.000 0.460 383 P HA -0.002 nan 4.420 nan 0.000 0.225 383 P C -0.365 176.786 177.300 -0.249 0.000 1.813 383 P CA 0.296 62.912 63.100 -0.807 0.000 1.013 383 P CB -0.068 31.083 31.700 -0.914 0.000 1.961 384 T N -1.705 112.785 114.554 -0.107 0.000 2.930 384 T HA 0.480 4.287 4.350 -0.905 0.000 0.290 384 T C -2.168 172.576 174.700 0.073 0.000 1.052 384 T CA -2.457 59.644 62.100 0.002 0.000 1.017 384 T CB 1.515 70.368 68.868 -0.025 0.000 1.137 384 T HN -0.266 nan 8.240 nan 0.000 0.511 385 P HA -0.094 nan 4.420 nan 0.000 0.216 385 P C 1.396 178.724 177.300 0.048 0.000 1.150 385 P CA 1.013 64.159 63.100 0.077 0.000 0.843 385 P CB 0.156 31.893 31.700 0.062 0.000 0.787 386 E N -0.989 119.226 120.200 0.025 0.000 2.106 386 E HA -0.115 3.692 4.350 -0.905 0.000 0.192 386 E C 1.758 178.357 176.600 -0.002 0.000 0.984 386 E CA 1.663 58.069 56.400 0.009 0.000 0.806 386 E CB -1.182 28.518 29.700 -0.000 0.000 0.750 386 E HN 0.086 nan 8.360 nan 0.000 0.458 387 T N 0.584 115.136 114.554 -0.002 0.000 2.821 387 T HA -0.029 3.778 4.350 -0.905 0.000 0.267 387 T C 1.859 176.541 174.700 -0.030 0.000 1.046 387 T CA 1.205 63.295 62.100 -0.017 0.000 1.139 387 T CB -0.207 68.645 68.868 -0.027 0.000 0.871 387 T HN 0.157 nan 8.240 nan 0.000 0.454 388 I N 1.500 122.073 120.570 0.004 0.000 2.226 388 I HA -0.196 3.431 4.170 -0.905 0.000 0.245 388 I C 2.926 178.997 176.117 -0.077 0.000 1.100 388 I CA 1.164 62.405 61.300 -0.099 0.000 1.374 388 I CB -0.491 37.519 38.000 0.016 0.000 1.057 388 I HN 0.190 nan 8.210 nan 0.000 0.413 389 A N 0.348 123.160 122.820 -0.013 0.000 1.933 389 A HA -0.193 3.584 4.320 -0.905 0.000 0.218 389 A C 2.385 179.958 177.584 -0.018 0.000 1.175 389 A CA 2.393 54.431 52.037 0.002 0.000 0.628 389 A CB -1.039 17.970 19.000 0.015 0.000 0.814 389 A HN 0.390 nan 8.150 nan 0.000 0.444 390 T N -0.426 114.106 114.554 -0.036 0.000 2.708 390 T HA -0.109 3.699 4.350 -0.905 0.000 0.266 390 T C 1.879 176.536 174.700 -0.071 0.000 1.037 390 T CA 1.554 63.627 62.100 -0.045 0.000 1.146 390 T CB -0.405 68.436 68.868 -0.046 0.000 0.865 390 T HN 0.149 nan 8.240 nan 0.000 0.435 391 V N 1.610 121.452 119.914 -0.120 0.000 2.343 391 V HA -0.208 3.370 4.120 -0.905 0.000 0.247 391 V C 2.658 178.686 176.094 -0.110 0.000 1.051 391 V CA 1.645 63.839 62.300 -0.177 0.000 1.036 391 V CB -0.642 30.959 31.823 -0.371 0.000 0.654 391 V HN 0.523 nan 8.190 nan 0.000 0.451 392 Q N -0.174 119.599 119.800 -0.044 0.000 2.084 392 Q HA -0.265 3.532 4.340 -0.905 0.000 0.202 392 Q C 2.372 178.421 176.000 0.081 0.000 0.978 392 Q CA 1.897 57.756 55.803 0.094 0.000 0.844 392 Q CB -0.241 28.581 28.738 0.139 0.000 0.898 392 Q HN 0.629 nan 8.270 nan 0.000 0.426 393 K N 0.497 120.916 120.400 0.032 0.000 2.025 393 K HA -0.114 3.664 4.320 -0.905 0.000 0.207 393 K C 2.205 178.801 176.600 -0.008 0.000 1.049 393 K CA 1.586 57.889 56.287 0.026 0.000 0.933 393 K CB 0.001 32.509 32.500 0.012 0.000 0.714 393 K HN -0.027 nan 8.250 nan 0.000 0.438 394 S N 0.683 116.355 115.700 -0.047 0.000 2.370 394 S HA -0.145 3.782 4.470 -0.905 0.000 0.226 394 S C 2.051 176.567 174.600 -0.140 0.000 1.033 394 S CA 1.223 59.372 58.200 -0.085 0.000 1.011 394 S CB -0.324 62.816 63.200 -0.099 0.000 0.852 394 S HN 0.550 nan 8.310 nan 0.000 0.457 395 A N 1.370 124.078 122.820 -0.188 0.000 1.898 395 A HA -0.116 3.661 4.320 -0.905 0.000 0.216 395 A C 2.061 179.473 177.584 -0.287 0.000 1.181 395 A CA 1.830 53.625 52.037 -0.404 0.000 0.620 395 A CB -0.598 18.037 19.000 -0.608 0.000 0.819 395 A HN 0.433 nan 8.150 nan 0.000 0.442 396 E N 0.717 120.920 120.200 0.005 0.000 2.106 396 E HA -0.168 3.639 4.350 -0.905 0.000 0.192 396 E C 1.280 177.907 176.600 0.045 0.000 0.984 396 E CA 1.663 58.156 56.400 0.155 0.000 0.806 396 E CB -0.310 29.523 29.700 0.222 0.000 0.750 396 E HN 0.528 nan 8.360 nan 0.000 0.458 397 D N -0.037 120.362 120.400 -0.003 0.000 2.144 397 D HA -0.131 3.966 4.640 -0.905 0.000 0.200 397 D C 1.875 178.142 176.300 -0.055 0.000 0.978 397 D CA 0.781 54.772 54.000 -0.015 0.000 0.833 397 D CB -0.142 40.645 40.800 -0.021 0.000 0.961 397 D HN 0.250 nan 8.370 nan 0.000 0.470 398 Q N 0.375 120.110 119.800 -0.109 0.000 2.050 398 Q HA -0.060 3.737 4.340 -0.905 0.000 0.202 398 Q C 2.244 178.165 176.000 -0.131 0.000 0.980 398 Q CA 1.197 56.916 55.803 -0.140 0.000 0.840 398 Q CB -0.339 28.278 28.738 -0.202 0.000 0.898 398 Q HN 0.239 nan 8.270 nan 0.000 0.424 399 A N 1.515 124.247 122.820 -0.147 0.000 1.908 399 A HA -0.219 3.558 4.320 -0.905 0.000 0.218 399 A C 2.073 179.585 177.584 -0.120 0.000 1.181 399 A CA 1.739 53.701 52.037 -0.125 0.000 0.627 399 A CB -0.384 18.409 19.000 -0.344 0.000 0.818 399 A HN 0.276 nan 8.150 nan 0.000 0.445 400 K N -0.598 119.754 120.400 -0.079 0.000 2.147 400 K HA -0.131 3.647 4.320 -0.905 0.000 0.205 400 K C 2.222 178.842 176.600 0.032 0.000 1.049 400 K CA 1.808 58.120 56.287 0.042 0.000 0.936 400 K CB -0.363 32.185 32.500 0.080 0.000 0.722 400 K HN 0.772 nan 8.250 nan 0.000 0.446 401 T N -0.786 113.756 114.554 -0.020 0.000 2.896 401 T HA -0.013 3.794 4.350 -0.905 0.000 0.263 401 T C 1.924 176.573 174.700 -0.084 0.000 1.050 401 T CA 0.712 62.786 62.100 -0.042 0.000 1.140 401 T CB -0.229 68.603 68.868 -0.059 0.000 0.877 401 T HN 0.073 nan 8.240 nan 0.000 0.457 402 I N -0.542 119.939 120.570 -0.149 0.000 2.406 402 I HA 0.109 3.736 4.170 -0.905 0.000 0.249 402 I C 1.424 177.275 176.117 -0.443 0.000 1.122 402 I CA 1.058 62.153 61.300 -0.343 0.000 1.431 402 I CB -0.177 37.517 38.000 -0.511 0.000 1.087 402 I HN 0.152 nan 8.210 nan 0.000 0.424 403 F N 1.449 121.353 119.950 -0.077 0.000 2.693 403 F HA 0.176 4.159 4.527 -0.906 0.000 0.303 403 F C 1.441 177.268 175.800 0.045 0.000 1.097 403 F CA -0.616 57.386 58.000 0.004 0.000 1.330 403 F CB -0.364 38.667 39.000 0.052 0.000 1.067 403 F HN -0.055 nan 8.300 nan 0.000 0.565 404 R N 0.000 120.569 120.500 0.114 0.000 2.786 404 R HA 0.000 3.797 4.340 -0.905 0.000 0.208 404 R CA 0.000 56.159 56.100 0.099 0.000 0.921 404 R CB 0.000 30.329 30.300 0.048 0.000 0.687 404 R HN 0.000 nan 8.270 nan 0.000 0.535