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 1b3k_1_D DATA FIRST_RESID 7 DATA SEQUENCE YVAHLASDFG VRVFQQVAQA SKDRNVVFSP YGVASVLAML QLTTGGETQQ DATA SEQUENCE QIQAAMGFKI DDKGMAPALR HLYKELMGPW NKDEISTTDA IFVQRDLKLV DATA SEQUENCE QGFMPHFFRL FRSTVKQVDF SEVERARFII NDWVKTHTKG MISHLLGTGA DATA SEQUENCE VDQLTRLVLV NALYFNGQWK TPFPDSSTHR RLFHKSDGST VSVPMMAQTN DATA SEQUENCE KFNYTEFTTP DGHYYDILEL PYHGDTLSMF IAAPYEKEVP LSALTNILSA DATA SEQUENCE QLISHWKGNM TRLPRLLVLP KFSLETEVDL RKPLENLGMT DMFRQFQADF DATA SEQUENCE TSLSDQEPLH VALALQKVKI EVNESGXXXX XXXXXXXXXX XAPEEIIIDR DATA SEQUENCE PFLFVVRHNP TGTVLFMGQV MEP 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.814 175.900 -0.143 0.000 1.272 7 Y CA 0.000 58.043 58.100 -0.095 0.000 1.940 7 Y CB 0.000 38.398 38.460 -0.104 0.000 1.050 8 V N 0.459 120.156 119.914 -0.362 0.000 2.690 8 V HA 0.204 4.324 4.120 0.000 0.000 0.240 8 V C 2.457 178.340 176.094 -0.351 0.000 1.078 8 V CA 1.519 63.481 62.300 -0.562 0.000 1.102 8 V CB -0.658 30.947 31.823 -0.364 0.000 0.800 8 V HN 0.332 nan 8.190 nan 0.000 0.479 9 A N -0.454 122.282 122.820 -0.141 0.000 1.978 9 A HA -0.291 4.029 4.320 0.000 0.000 0.220 9 A C 2.200 179.753 177.584 -0.051 0.000 1.170 9 A CA 2.066 54.078 52.037 -0.041 0.000 0.636 9 A CB -0.836 18.166 19.000 0.004 0.000 0.810 9 A HN 0.660 nan 8.150 nan 0.000 0.448 10 H N -0.173 118.808 119.070 -0.150 0.000 2.389 10 H HA 0.047 4.604 4.556 0.000 0.000 0.299 10 H C 1.862 177.105 175.328 -0.141 0.000 1.081 10 H CA 1.641 57.614 56.048 -0.124 0.000 1.345 10 H CB -0.078 29.619 29.762 -0.108 0.000 1.393 10 H HN 0.439 nan 8.280 nan 0.000 0.520 11 L N -0.187 120.969 121.223 -0.111 0.000 2.072 11 L HA -0.063 4.277 4.340 0.000 0.000 0.205 11 L C 2.991 179.887 176.870 0.043 0.000 1.079 11 L CA 0.874 55.653 54.840 -0.102 0.000 0.752 11 L CB -0.492 41.315 42.059 -0.419 0.000 0.906 11 L HN 0.217 nan 8.230 nan 0.000 0.436 12 A N -0.615 122.191 122.820 -0.023 0.000 1.933 12 A HA -0.180 4.140 4.320 0.000 0.000 0.218 12 A C 2.493 180.187 177.584 0.182 0.000 1.175 12 A CA 1.976 54.116 52.037 0.171 0.000 0.628 12 A CB -0.516 18.559 19.000 0.126 0.000 0.814 12 A HN 0.366 nan 8.150 nan 0.000 0.444 13 S N 0.161 115.894 115.700 0.055 0.000 2.356 13 S HA -0.159 4.311 4.470 0.000 0.000 0.223 13 S C 1.681 176.282 174.600 0.001 0.000 1.032 13 S CA 1.491 59.690 58.200 -0.001 0.000 1.005 13 S CB -0.431 62.681 63.200 -0.146 0.000 0.867 13 S HN 0.609 nan 8.310 nan 0.000 0.449 14 D N 0.632 121.026 120.400 -0.010 0.000 2.097 14 D HA -0.061 4.579 4.640 0.000 0.000 0.195 14 D C 1.597 177.947 176.300 0.083 0.000 0.989 14 D CA 0.692 54.701 54.000 0.015 0.000 0.827 14 D CB -0.438 40.387 40.800 0.042 0.000 0.966 14 D HN 0.335 nan 8.370 nan 0.000 0.456 15 F N 1.498 121.487 119.950 0.064 0.000 2.120 15 F HA -0.149 4.378 4.527 0.000 0.000 0.300 15 F C 2.177 178.040 175.800 0.105 0.000 1.095 15 F CA 2.049 60.104 58.000 0.092 0.000 1.249 15 F CB -0.511 38.567 39.000 0.130 0.000 0.995 15 F HN -0.023 nan 8.300 nan 0.000 0.480 16 G N -0.624 108.185 108.800 0.016 0.000 2.448 16 G HA2 -0.110 3.850 3.960 0.000 0.000 0.218 16 G HA3 -0.110 3.850 3.960 0.000 0.000 0.218 16 G C 1.652 176.570 174.900 0.029 0.000 1.135 16 G CA 0.917 46.035 45.100 0.030 0.000 0.784 16 G HN 0.359 nan 8.290 nan 0.000 0.543 17 V N 0.339 120.248 119.914 -0.009 0.000 2.379 17 V HA -0.046 4.074 4.120 0.000 0.000 0.245 17 V C 2.683 178.754 176.094 -0.038 0.000 1.044 17 V CA 1.679 63.984 62.300 0.007 0.000 1.036 17 V CB -0.409 31.396 31.823 -0.029 0.000 0.664 17 V HN 0.329 nan 8.190 nan 0.000 0.453 18 R N -0.142 120.289 120.500 -0.115 0.000 2.152 18 R HA -0.111 4.229 4.340 0.000 0.000 0.232 18 R C 2.046 178.203 176.300 -0.239 0.000 1.117 18 R CA 1.243 57.251 56.100 -0.153 0.000 0.981 18 R CB -0.108 30.110 30.300 -0.137 0.000 0.870 18 R HN 0.427 nan 8.270 nan 0.000 0.451 19 V N 0.191 119.910 119.914 -0.325 0.000 2.649 19 V HA -0.149 3.971 4.120 0.000 0.000 0.248 19 V C 1.720 177.556 176.094 -0.430 0.000 1.054 19 V CA 1.137 63.243 62.300 -0.324 0.000 1.073 19 V CB -0.466 31.213 31.823 -0.240 0.000 0.699 19 V HN 0.290 nan 8.190 nan 0.000 0.463 20 F N 1.412 120.976 119.950 -0.642 0.000 2.163 20 F HA -0.146 4.381 4.527 0.000 0.000 0.297 20 F C 2.395 177.919 175.800 -0.460 0.000 1.094 20 F CA 1.649 59.139 58.000 -0.849 0.000 1.290 20 F CB -0.371 38.275 39.000 -0.590 0.000 1.017 20 F HN 0.149 nan 8.300 nan 0.000 0.483 21 Q N -0.161 119.358 119.800 -0.469 0.000 2.152 21 Q HA -0.255 4.085 4.340 0.000 0.000 0.206 21 Q C 2.167 177.909 176.000 -0.431 0.000 0.985 21 Q CA 1.748 57.285 55.803 -0.443 0.000 0.863 21 Q CB -0.301 28.314 28.738 -0.205 0.000 0.904 21 Q HN 0.474 nan 8.270 nan 0.000 0.422 22 Q N -0.114 119.469 119.800 -0.361 0.000 2.020 22 Q HA -0.134 4.207 4.340 0.000 0.000 0.202 22 Q C 2.459 178.279 176.000 -0.299 0.000 0.982 22 Q CA 1.842 57.482 55.803 -0.271 0.000 0.838 22 Q CB -0.808 27.809 28.738 -0.201 0.000 0.899 22 Q HN 0.502 nan 8.270 nan 0.000 0.423 23 V N -1.266 118.418 119.914 -0.383 0.000 2.594 23 V HA -0.093 4.027 4.120 0.000 0.000 0.253 23 V C 2.152 178.039 176.094 -0.346 0.000 1.069 23 V CA 1.656 63.780 62.300 -0.293 0.000 1.082 23 V CB -1.240 30.447 31.823 -0.227 0.000 0.680 23 V HN 0.199 nan 8.190 nan 0.000 0.469 24 A N 0.481 122.937 122.820 -0.608 0.000 1.825 24 A HA -0.189 4.131 4.320 0.000 0.000 0.214 24 A C 2.199 179.611 177.584 -0.286 0.000 1.206 24 A CA 1.736 53.452 52.037 -0.536 0.000 0.609 24 A CB -0.873 17.624 19.000 -0.838 0.000 0.851 24 A HN 0.593 nan 8.150 nan 0.000 0.445 25 Q N -0.559 119.078 119.800 -0.271 0.000 2.449 25 Q HA -0.110 4.230 4.340 0.000 0.000 0.214 25 Q C 1.643 177.569 176.000 -0.122 0.000 0.986 25 Q CA 0.945 56.653 55.803 -0.160 0.000 0.893 25 Q CB -0.400 28.252 28.738 -0.144 0.000 0.940 25 Q HN 0.663 nan 8.270 nan 0.000 0.477 26 A N -0.235 122.502 122.820 -0.139 0.000 2.348 26 A HA 0.180 4.500 4.320 0.000 0.000 0.224 26 A C 0.574 178.117 177.584 -0.068 0.000 1.227 26 A CA -0.129 51.852 52.037 -0.093 0.000 0.885 26 A CB 0.732 19.676 19.000 -0.093 0.000 0.933 26 A HN 0.057 nan 8.150 nan 0.000 0.506 27 S N 0.353 116.008 115.700 -0.075 0.000 2.512 27 S HA 0.224 4.694 4.470 0.000 0.000 0.161 27 S C -0.407 174.173 174.600 -0.033 0.000 1.383 27 S CA -0.772 57.403 58.200 -0.042 0.000 1.248 27 S CB 0.313 63.496 63.200 -0.029 0.000 1.488 27 S HN 0.403 nan 8.310 nan 0.000 0.382 28 K N 2.541 122.924 120.400 -0.028 0.000 2.485 28 K HA 0.085 4.405 4.320 0.000 0.000 0.277 28 K C -0.335 176.266 176.600 0.001 0.000 0.990 28 K CA 0.701 56.980 56.287 -0.014 0.000 0.994 28 K CB -0.064 32.430 32.500 -0.010 0.000 0.906 28 K HN 0.320 nan 8.250 nan 0.000 0.488 29 D N 2.470 122.877 120.400 0.011 0.000 2.812 29 D HA -0.223 4.417 4.640 0.000 0.000 0.237 29 D C -1.009 175.306 176.300 0.025 0.000 1.162 29 D CA 0.992 55.006 54.000 0.024 0.000 0.740 29 D CB -0.808 40.006 40.800 0.023 0.000 1.000 29 D HN 0.572 nan 8.370 nan 0.000 0.416 30 R N 0.106 120.620 120.500 0.024 0.000 2.563 30 R HA 0.273 4.613 4.340 0.000 0.000 0.262 30 R C -0.737 175.584 176.300 0.035 0.000 1.128 30 R CA -0.922 55.195 56.100 0.029 0.000 0.969 30 R CB 0.964 31.279 30.300 0.024 0.000 1.251 30 R HN -0.119 nan 8.270 nan 0.000 0.442 31 N N 0.994 119.716 118.700 0.037 0.000 2.411 31 N HA 0.195 4.935 4.740 0.000 0.000 0.261 31 N C -1.111 174.458 175.510 0.098 0.000 1.248 31 N CA 0.283 53.360 53.050 0.045 0.000 0.885 31 N CB 1.088 39.595 38.487 0.035 0.000 1.062 31 N HN 0.295 nan 8.380 nan 0.000 0.471 32 V N 3.647 123.648 119.914 0.145 0.000 2.697 32 V HA 0.423 4.543 4.120 0.000 0.000 0.300 32 V C -1.272 175.009 176.094 0.310 0.000 1.115 32 V CA -0.599 61.834 62.300 0.223 0.000 0.912 32 V CB 1.588 33.538 31.823 0.212 0.000 1.024 32 V HN 0.271 nan 8.190 nan 0.000 0.431 33 V N 7.651 127.770 119.914 0.342 0.000 2.483 33 V HA 0.727 4.847 4.120 0.000 0.000 0.295 33 V C -0.494 175.868 176.094 0.446 0.000 1.035 33 V CA -0.430 62.109 62.300 0.399 0.000 0.896 33 V CB 1.593 33.671 31.823 0.425 0.000 0.986 33 V HN 0.841 nan 8.190 nan 0.000 0.447 34 F N 2.647 122.715 119.950 0.197 0.000 2.668 34 F HA 0.630 5.157 4.527 0.000 0.000 0.309 34 F C -0.350 175.561 175.800 0.185 0.000 1.117 34 F CA -0.463 57.661 58.000 0.207 0.000 0.951 34 F CB 2.270 41.436 39.000 0.276 0.000 1.323 34 F HN 0.345 nan 8.300 nan 0.000 0.451 35 S N 5.022 120.594 115.700 -0.213 0.000 2.577 35 S HA 0.439 4.909 4.470 0.000 0.000 0.294 35 S C -2.306 172.254 174.600 -0.066 0.000 1.161 35 S CA -1.572 56.564 58.200 -0.108 0.000 1.143 35 S CB 1.129 64.222 63.200 -0.177 0.000 0.991 35 S HN 0.445 nan 8.310 nan 0.000 0.475 36 P HA -0.152 nan 4.420 nan 0.000 0.216 36 P C 0.958 178.343 177.300 0.141 0.000 1.153 36 P CA 0.883 64.131 63.100 0.247 0.000 0.858 36 P CB -0.053 31.725 31.700 0.129 0.000 0.789 37 Y N 0.683 120.945 120.300 -0.064 0.000 2.097 37 Y HA -0.160 4.390 4.550 0.000 0.000 0.282 37 Y C 2.424 178.310 175.900 -0.023 0.000 1.152 37 Y CA 2.105 60.168 58.100 -0.062 0.000 1.136 37 Y CB -1.242 37.113 38.460 -0.174 0.000 0.975 37 Y HN -0.139 nan 8.280 nan 0.000 0.498 38 G N -0.242 108.399 108.800 -0.266 0.000 2.514 38 G HA2 -0.324 3.636 3.960 0.000 0.000 0.217 38 G HA3 -0.324 3.636 3.960 0.000 0.000 0.217 38 G C 1.841 176.627 174.900 -0.190 0.000 1.198 38 G CA 1.500 46.427 45.100 -0.287 0.000 0.780 38 G HN 0.446 nan 8.290 nan 0.000 0.565 39 V N 1.319 121.173 119.914 -0.100 0.000 2.594 39 V HA -0.002 4.119 4.120 0.000 0.000 0.253 39 V C 3.108 179.313 176.094 0.186 0.000 1.069 39 V CA 2.363 64.699 62.300 0.060 0.000 1.082 39 V CB -0.586 31.336 31.823 0.166 0.000 0.680 39 V HN 0.467 nan 8.190 nan 0.000 0.469 40 A N -1.050 121.869 122.820 0.165 0.000 1.898 40 A HA -0.185 4.136 4.320 0.000 0.000 0.216 40 A C 2.530 180.121 177.584 0.012 0.000 1.181 40 A CA 2.192 54.374 52.037 0.241 0.000 0.620 40 A CB -0.872 18.269 19.000 0.235 0.000 0.819 40 A HN 0.586 nan 8.150 nan 0.000 0.442 41 S N -0.255 115.338 115.700 -0.177 0.000 2.335 41 S HA -0.154 4.316 4.470 0.000 0.000 0.216 41 S C 2.120 176.612 174.600 -0.181 0.000 1.032 41 S CA 2.256 60.325 58.200 -0.218 0.000 1.000 41 S CB -0.986 61.983 63.200 -0.384 0.000 0.928 41 S HN 0.945 nan 8.310 nan 0.000 0.434 42 V N 1.478 121.307 119.914 -0.142 0.000 2.278 42 V HA -0.195 3.925 4.120 0.000 0.000 0.251 42 V C 2.371 178.401 176.094 -0.108 0.000 1.062 42 V CA 2.231 64.462 62.300 -0.115 0.000 1.038 42 V CB -1.371 30.430 31.823 -0.037 0.000 0.646 42 V HN 0.549 nan 8.190 nan 0.000 0.447 43 L N 0.423 121.612 121.223 -0.055 0.000 2.201 43 L HA -0.018 4.322 4.340 0.000 0.000 0.212 43 L C 2.943 179.716 176.870 -0.160 0.000 1.105 43 L CA 1.292 56.085 54.840 -0.078 0.000 0.775 43 L CB -0.810 41.216 42.059 -0.055 0.000 0.913 43 L HN 0.469 nan 8.230 nan 0.000 0.440 44 A N -0.302 122.417 122.820 -0.169 0.000 2.015 44 A HA -0.163 4.157 4.320 0.000 0.000 0.219 44 A C 2.264 179.778 177.584 -0.116 0.000 1.163 44 A CA 1.361 53.323 52.037 -0.125 0.000 0.646 44 A CB -0.247 18.770 19.000 0.029 0.000 0.806 44 A HN 0.352 nan 8.150 nan 0.000 0.448 45 M N -1.670 117.697 119.600 -0.388 0.000 2.299 45 M HA 0.060 4.540 4.480 0.000 0.000 0.264 45 M C 2.029 178.339 176.300 0.017 0.000 1.095 45 M CA 0.788 55.717 55.300 -0.618 0.000 1.165 45 M CB -0.344 31.754 32.600 -0.838 0.000 1.349 45 M HN 0.382 nan 8.290 nan 0.000 0.446 46 L N 1.153 122.372 121.223 -0.006 0.000 2.263 46 L HA -0.226 4.114 4.340 0.000 0.000 0.216 46 L C 2.291 179.219 176.870 0.097 0.000 1.111 46 L CA 1.850 56.743 54.840 0.090 0.000 0.773 46 L CB -0.658 41.432 42.059 0.052 0.000 0.906 46 L HN 0.346 nan 8.230 nan 0.000 0.439 47 Q N -1.380 118.439 119.800 0.032 0.000 2.050 47 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 47 Q C 2.179 178.230 176.000 0.085 0.000 0.980 47 Q CA 1.764 57.564 55.803 -0.006 0.000 0.840 47 Q CB -0.289 28.409 28.738 -0.068 0.000 0.898 47 Q HN 0.475 nan 8.270 nan 0.000 0.424 48 L N 0.613 121.973 121.223 0.228 0.000 2.131 48 L HA -0.153 4.187 4.340 0.000 0.000 0.210 48 L C 2.456 179.600 176.870 0.456 0.000 1.092 48 L CA 2.181 57.204 54.840 0.305 0.000 0.759 48 L CB -0.665 41.613 42.059 0.366 0.000 0.903 48 L HN 0.337 nan 8.230 nan 0.000 0.435 49 T N -5.028 109.778 114.554 0.419 0.000 2.985 49 T HA -0.070 4.281 4.350 0.000 0.000 0.266 49 T C 1.199 175.956 174.700 0.095 0.000 1.076 49 T CA 0.887 63.140 62.100 0.254 0.000 1.135 49 T CB -0.667 68.351 68.868 0.249 0.000 0.890 49 T HN 0.327 nan 8.240 nan 0.000 0.480 50 T N 0.938 115.451 114.554 -0.068 0.000 2.889 50 T HA 0.590 4.940 4.350 0.000 0.000 0.291 50 T C 0.049 174.626 174.700 -0.204 0.000 0.995 50 T CA -0.194 61.663 62.100 -0.405 0.000 1.092 50 T CB 0.634 69.159 68.868 -0.571 0.000 0.954 50 T HN 0.591 nan 8.240 nan 0.000 0.506 51 G N 1.585 110.252 108.800 -0.220 0.000 2.605 51 G HA2 0.656 4.616 3.960 0.000 0.000 0.296 51 G HA3 0.656 4.616 3.960 0.000 0.000 0.296 51 G C 0.326 175.158 174.900 -0.114 0.000 1.304 51 G CA 0.052 45.086 45.100 -0.110 0.000 0.941 51 G HN 1.252 nan 8.290 nan 0.000 0.475 52 G N 0.301 109.061 108.800 -0.068 0.000 2.578 52 G HA2 -0.247 3.713 3.960 0.000 0.000 0.284 52 G HA3 -0.247 3.713 3.960 0.000 0.000 0.284 52 G C 1.083 175.938 174.900 -0.074 0.000 1.283 52 G CA 0.768 45.834 45.100 -0.057 0.000 0.944 52 G HN 0.874 nan 8.290 nan 0.000 0.558 53 E N -0.763 119.403 120.200 -0.057 0.000 2.365 53 E HA -0.328 4.022 4.350 0.000 0.000 0.252 53 E C 2.597 179.150 176.600 -0.078 0.000 1.017 53 E CA 2.662 59.030 56.400 -0.052 0.000 1.051 53 E CB -1.601 28.076 29.700 -0.037 0.000 0.978 53 E HN 0.764 nan 8.360 nan 0.000 0.523 54 T N 1.732 116.217 114.554 -0.114 0.000 2.649 54 T HA -0.298 4.053 4.350 0.000 0.000 0.268 54 T C 1.946 176.541 174.700 -0.175 0.000 1.036 54 T CA 2.244 64.248 62.100 -0.160 0.000 1.157 54 T CB -0.392 68.301 68.868 -0.292 0.000 0.861 54 T HN 0.363 nan 8.240 nan 0.000 0.445 55 Q N 0.678 120.363 119.800 -0.192 0.000 2.045 55 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 55 Q C 2.405 178.333 176.000 -0.119 0.000 0.991 55 Q CA 1.786 57.489 55.803 -0.166 0.000 0.851 55 Q CB -0.193 28.465 28.738 -0.133 0.000 0.911 55 Q HN 0.631 nan 8.270 nan 0.000 0.418 56 Q N -0.297 119.451 119.800 -0.087 0.000 2.124 56 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 56 Q C 2.226 178.192 176.000 -0.058 0.000 0.977 56 Q CA 1.615 57.379 55.803 -0.064 0.000 0.850 56 Q CB -0.026 28.688 28.738 -0.041 0.000 0.901 56 Q HN 0.529 nan 8.270 nan 0.000 0.429 57 Q N 0.409 120.179 119.800 -0.050 0.000 2.045 57 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 57 Q C 2.189 178.170 176.000 -0.032 0.000 0.991 57 Q CA 1.443 57.234 55.803 -0.020 0.000 0.851 57 Q CB -0.308 28.430 28.738 -0.001 0.000 0.911 57 Q HN 0.447 nan 8.270 nan 0.000 0.418 58 I N 0.790 121.315 120.570 -0.075 0.000 2.127 58 I HA -0.347 3.823 4.170 0.000 0.000 0.241 58 I C 2.559 178.551 176.117 -0.208 0.000 1.075 58 I CA 1.516 62.738 61.300 -0.129 0.000 1.334 58 I CB -0.472 37.426 38.000 -0.170 0.000 1.040 58 I HN 0.309 nan 8.210 nan 0.000 0.405 59 Q N 0.705 120.388 119.800 -0.195 0.000 2.002 59 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 59 Q C 2.494 178.406 176.000 -0.146 0.000 0.988 59 Q CA 2.082 57.752 55.803 -0.222 0.000 0.843 59 Q CB -0.419 28.228 28.738 -0.152 0.000 0.908 59 Q HN 0.596 nan 8.270 nan 0.000 0.420 60 A N 1.243 124.022 122.820 -0.068 0.000 1.873 60 A HA -0.251 4.069 4.320 0.000 0.000 0.218 60 A C 2.345 179.938 177.584 0.014 0.000 1.193 60 A CA 2.055 54.085 52.037 -0.012 0.000 0.629 60 A CB -1.146 17.856 19.000 0.004 0.000 0.826 60 A HN 0.458 nan 8.150 nan 0.000 0.447 61 A N -1.066 121.768 122.820 0.022 0.000 1.978 61 A HA -0.116 4.204 4.320 0.000 0.000 0.220 61 A C 2.209 179.881 177.584 0.148 0.000 1.170 61 A CA 1.906 54.021 52.037 0.128 0.000 0.636 61 A CB -0.488 18.634 19.000 0.204 0.000 0.810 61 A HN 0.573 nan 8.150 nan 0.000 0.448 62 M N -2.397 117.107 119.600 -0.161 0.000 2.501 62 M HA 0.172 4.652 4.480 0.000 0.000 0.261 62 M C 1.531 177.870 176.300 0.065 0.000 1.129 62 M CA 0.878 55.996 55.300 -0.303 0.000 1.126 62 M CB 0.268 32.357 32.600 -0.851 0.000 1.359 62 M HN 0.639 nan 8.290 nan 0.000 0.471 63 G N 1.977 110.809 108.800 0.054 0.000 2.176 63 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 63 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 63 G C -0.114 174.970 174.900 0.307 0.000 0.979 63 G CA 0.270 45.485 45.100 0.191 0.000 0.641 63 G HN 0.556 nan 8.290 nan 0.000 0.530 64 F N -1.749 118.181 119.950 -0.033 0.000 2.688 64 F HA 0.734 5.261 4.527 0.000 0.000 0.308 64 F C -0.821 174.966 175.800 -0.022 0.000 1.117 64 F CA -2.219 55.777 58.000 -0.007 0.000 0.976 64 F CB 0.711 39.698 39.000 -0.021 0.000 1.291 64 F HN -0.021 nan 8.300 nan 0.000 0.439 65 K N 3.091 123.506 120.400 0.025 0.000 2.234 65 K HA 0.362 4.682 4.320 0.000 0.000 0.277 65 K C 0.634 177.261 176.600 0.046 0.000 1.038 65 K CA -0.718 55.533 56.287 -0.060 0.000 0.888 65 K CB 2.276 34.775 32.500 -0.002 0.000 1.091 65 K HN 0.779 nan 8.250 nan 0.000 0.467 66 I N 2.389 122.938 120.570 -0.035 0.000 2.248 66 I HA -0.274 3.896 4.170 0.000 0.000 0.248 66 I C 1.291 177.435 176.117 0.045 0.000 1.107 66 I CA 1.909 63.258 61.300 0.082 0.000 1.373 66 I CB -0.084 37.966 38.000 0.083 0.000 1.055 66 I HN 0.663 nan 8.210 nan 0.000 0.418 67 D N 0.368 120.778 120.400 0.016 0.000 2.363 67 D HA -0.055 4.585 4.640 0.000 0.000 0.226 67 D C 0.117 176.440 176.300 0.039 0.000 1.020 67 D CA 0.227 54.237 54.000 0.015 0.000 0.892 67 D CB -0.226 40.596 40.800 0.037 0.000 0.900 67 D HN 0.370 nan 8.370 nan 0.000 0.531 68 D N 0.710 121.148 120.400 0.062 0.000 2.345 68 D HA 0.014 4.654 4.640 0.000 0.000 0.247 68 D C 0.380 176.714 176.300 0.057 0.000 1.108 68 D CA -0.224 53.815 54.000 0.065 0.000 0.894 68 D CB 0.998 41.855 40.800 0.095 0.000 1.203 68 D HN -0.105 nan 8.370 nan 0.000 0.430 69 K N 0.519 120.940 120.400 0.035 0.000 2.511 69 K HA 0.167 4.487 4.320 0.000 0.000 0.280 69 K C 1.042 177.660 176.600 0.030 0.000 1.008 69 K CA 1.029 57.329 56.287 0.021 0.000 1.050 69 K CB 0.006 32.511 32.500 0.008 0.000 0.889 69 K HN 0.603 nan 8.250 nan 0.000 0.484 70 G N 3.767 112.580 108.800 0.021 0.000 2.358 70 G HA2 -0.309 3.651 3.960 0.000 0.000 0.224 70 G HA3 -0.309 3.651 3.960 0.000 0.000 0.224 70 G C 0.951 175.877 174.900 0.042 0.000 1.073 70 G CA 0.322 45.438 45.100 0.027 0.000 0.635 70 G HN 0.463 nan 8.290 nan 0.000 0.509 71 M N 1.185 120.828 119.600 0.071 0.000 2.126 71 M HA 0.081 4.561 4.480 0.000 0.000 0.259 71 M C 3.097 179.437 176.300 0.066 0.000 1.073 71 M CA 2.768 58.123 55.300 0.091 0.000 1.103 71 M CB -1.900 30.823 32.600 0.204 0.000 1.284 71 M HN 0.848 nan 8.290 nan 0.000 0.420 72 A N 1.349 124.188 122.820 0.032 0.000 1.884 72 A HA -0.168 4.152 4.320 0.000 0.000 0.219 72 A C -0.025 177.543 177.584 -0.027 0.000 1.197 72 A CA 2.408 54.418 52.037 -0.044 0.000 0.637 72 A CB -2.392 16.459 19.000 -0.248 0.000 0.827 72 A HN 0.458 nan 8.150 nan 0.000 0.450 73 P HA -0.170 nan 4.420 nan 0.000 0.216 73 P C 1.594 178.931 177.300 0.062 0.000 1.150 73 P CA 1.980 65.082 63.100 0.003 0.000 0.837 73 P CB -0.192 31.507 31.700 -0.002 0.000 0.786 74 A N 0.749 123.598 122.820 0.048 0.000 1.865 74 A HA -0.166 4.154 4.320 0.000 0.000 0.217 74 A C 2.519 180.168 177.584 0.108 0.000 1.191 74 A CA 1.690 53.753 52.037 0.043 0.000 0.623 74 A CB -1.656 17.342 19.000 -0.003 0.000 0.826 74 A HN 0.129 nan 8.150 nan 0.000 0.444 75 L N -1.070 120.220 121.223 0.111 0.000 2.042 75 L HA -0.229 4.111 4.340 0.000 0.000 0.210 75 L C 2.894 179.899 176.870 0.225 0.000 1.076 75 L CA 1.552 56.499 54.840 0.178 0.000 0.749 75 L CB -0.591 41.583 42.059 0.192 0.000 0.893 75 L HN 0.386 nan 8.230 nan 0.000 0.432 76 R N -1.121 119.478 120.500 0.166 0.000 2.083 76 R HA -0.217 4.123 4.340 0.000 0.000 0.237 76 R C 2.380 178.810 176.300 0.217 0.000 1.137 76 R CA 1.544 57.739 56.100 0.157 0.000 0.951 76 R CB -0.808 29.527 30.300 0.058 0.000 0.851 76 R HN 0.457 nan 8.270 nan 0.000 0.434 77 H N 1.555 120.681 119.070 0.094 0.000 2.251 77 H HA -0.186 4.370 4.556 0.000 0.000 0.294 77 H C 2.068 177.448 175.328 0.088 0.000 1.078 77 H CA 2.112 58.209 56.048 0.082 0.000 1.246 77 H CB -0.362 29.434 29.762 0.057 0.000 1.358 77 H HN 0.124 nan 8.280 nan 0.000 0.488 78 L N 0.622 122.104 121.223 0.432 0.000 2.043 78 L HA -0.223 4.117 4.340 0.000 0.000 0.212 78 L C 2.605 179.527 176.870 0.088 0.000 1.075 78 L CA 2.220 57.211 54.840 0.251 0.000 0.752 78 L CB -1.441 40.724 42.059 0.176 0.000 0.891 78 L HN 0.360 nan 8.230 nan 0.000 0.432 79 Y N 0.394 120.759 120.300 0.107 0.000 2.128 79 Y HA -0.310 4.240 4.550 0.000 0.000 0.284 79 Y C 2.719 178.640 175.900 0.035 0.000 1.154 79 Y CA 2.512 60.677 58.100 0.108 0.000 1.149 79 Y CB -0.239 38.308 38.460 0.146 0.000 0.976 79 Y HN 0.282 nan 8.280 nan 0.000 0.505 80 K N 0.334 120.768 120.400 0.056 0.000 2.002 80 K HA -0.264 4.056 4.320 0.000 0.000 0.209 80 K C 2.232 178.765 176.600 -0.111 0.000 1.048 80 K CA 1.880 58.146 56.287 -0.035 0.000 0.930 80 K CB -0.364 32.136 32.500 -0.000 0.000 0.714 80 K HN 0.470 nan 8.250 nan 0.000 0.438 81 E N 0.386 120.523 120.200 -0.104 0.000 2.265 81 E HA -0.176 4.174 4.350 0.000 0.000 0.196 81 E C 1.887 178.571 176.600 0.141 0.000 0.996 81 E CA 0.668 57.075 56.400 0.011 0.000 0.832 81 E CB 0.076 29.783 29.700 0.012 0.000 0.756 81 E HN 0.341 nan 8.360 nan 0.000 0.491 82 L N -0.228 120.940 121.223 -0.093 0.000 2.068 82 L HA -0.059 4.281 4.340 0.000 0.000 0.204 82 L C 2.006 178.785 176.870 -0.150 0.000 1.076 82 L CA 0.473 55.290 54.840 -0.038 0.000 0.753 82 L CB -0.141 41.728 42.059 -0.316 0.000 0.910 82 L HN 0.203 nan 8.230 nan 0.000 0.439 83 M N 0.655 120.046 119.600 -0.348 0.000 2.654 83 M HA 0.127 4.607 4.480 0.000 0.000 0.217 83 M C 1.155 177.275 176.300 -0.300 0.000 1.183 83 M CA -0.031 55.050 55.300 -0.365 0.000 0.991 83 M CB -1.684 30.680 32.600 -0.394 0.000 1.749 83 M HN 0.103 nan 8.290 nan 0.000 0.475 84 G N 1.869 110.514 108.800 -0.259 0.000 2.443 84 G HA2 0.080 4.040 3.960 0.000 0.000 0.286 84 G HA3 0.080 4.040 3.960 0.000 0.000 0.286 84 G C -1.632 173.075 174.900 -0.322 0.000 1.393 84 G CA -0.506 44.495 45.100 -0.166 0.000 1.080 84 G HN 0.241 nan 8.290 nan 0.000 0.566 85 P HA -0.002 nan 4.420 nan 0.000 0.217 85 P C 1.850 179.071 177.300 -0.133 0.000 1.154 85 P CA 1.369 64.409 63.100 -0.099 0.000 0.841 85 P CB -0.057 31.661 31.700 0.030 0.000 0.790 86 W N 0.688 122.010 121.300 0.036 0.000 2.342 86 W HA -0.146 4.514 4.660 0.000 0.000 0.297 86 W C 1.379 178.006 176.519 0.180 0.000 1.213 86 W CA 0.801 58.183 57.345 0.061 0.000 1.251 86 W CB -2.224 27.228 29.460 -0.014 0.000 1.136 86 W HN -0.014 nan 8.180 nan 0.000 0.526 87 N N 2.405 120.174 118.700 -1.551 0.000 2.112 87 N HA -0.344 4.396 4.740 0.000 0.000 0.200 87 N C 1.018 176.276 175.510 -0.421 0.000 1.011 87 N CA 3.255 55.474 53.050 -1.384 0.000 0.891 87 N CB -0.779 37.065 38.487 -1.072 0.000 1.060 87 N HN 0.302 nan 8.380 nan 0.000 0.478 88 K N -0.077 120.171 120.400 -0.254 0.000 3.096 88 K HA -0.238 4.082 4.320 0.000 0.000 0.266 88 K C -0.932 175.585 176.600 -0.138 0.000 1.043 88 K CA 0.972 57.191 56.287 -0.112 0.000 0.758 88 K CB -1.363 31.141 32.500 0.008 0.000 1.260 88 K HN 0.449 nan 8.250 nan 0.000 0.481 89 D N -1.173 119.137 120.400 -0.150 0.000 3.012 89 D HA -0.192 4.448 4.640 0.000 0.000 0.222 89 D C 0.362 176.608 176.300 -0.091 0.000 1.167 89 D CA 1.776 55.715 54.000 -0.101 0.000 0.854 89 D CB -0.569 40.182 40.800 -0.082 0.000 1.107 89 D HN 0.763 nan 8.370 nan 0.000 0.421 90 E N -0.508 119.605 120.200 -0.145 0.000 2.250 90 E HA 0.208 4.558 4.350 0.000 0.000 0.192 90 E C 1.000 177.539 176.600 -0.102 0.000 0.986 90 E CA 0.414 56.678 56.400 -0.227 0.000 0.849 90 E CB 1.121 30.676 29.700 -0.241 0.000 0.797 90 E HN 0.498 nan 8.360 nan 0.000 0.482 91 I N 0.274 120.891 120.570 0.079 0.000 2.656 91 I HA 0.260 4.430 4.170 0.000 0.000 0.292 91 I C -1.477 174.752 176.117 0.186 0.000 1.144 91 I CA -0.505 60.954 61.300 0.266 0.000 1.038 91 I CB 2.044 40.324 38.000 0.467 0.000 1.244 91 I HN -0.179 nan 8.210 nan 0.000 0.420 92 S N 4.037 119.905 115.700 0.281 0.000 2.566 92 S HA 0.766 5.236 4.470 0.000 0.000 0.298 92 S C -0.711 174.062 174.600 0.288 0.000 1.083 92 S CA -0.525 57.815 58.200 0.233 0.000 0.978 92 S CB 2.046 65.386 63.200 0.233 0.000 1.073 92 S HN 0.718 nan 8.310 nan 0.000 0.491 93 T N 0.507 115.219 114.554 0.264 0.000 2.932 93 T HA 0.717 5.067 4.350 0.000 0.000 0.318 93 T C -1.461 173.436 174.700 0.330 0.000 1.265 93 T CA -0.288 62.000 62.100 0.313 0.000 1.036 93 T CB 1.930 71.018 68.868 0.367 0.000 1.209 93 T HN 0.620 nan 8.240 nan 0.000 0.484 94 T N 2.661 117.385 114.554 0.284 0.000 2.977 94 T HA 0.550 4.900 4.350 0.000 0.000 0.345 94 T C -2.073 172.761 174.700 0.223 0.000 1.562 94 T CA -0.534 61.736 62.100 0.284 0.000 1.090 94 T CB 1.458 70.495 68.868 0.282 0.000 1.383 94 T HN 0.743 nan 8.240 nan 0.000 0.484 95 D N 0.972 121.489 120.400 0.195 0.000 2.533 95 D HA 0.918 5.559 4.640 0.000 0.000 0.247 95 D C -0.881 175.442 176.300 0.038 0.000 1.056 95 D CA -0.326 53.720 54.000 0.077 0.000 1.054 95 D CB 1.921 42.697 40.800 -0.040 0.000 1.400 95 D HN 0.843 nan 8.370 nan 0.000 0.533 96 A N 0.338 123.086 122.820 -0.120 0.000 2.581 96 A HA 0.455 4.775 4.320 0.000 0.000 0.309 96 A C -1.860 175.494 177.584 -0.383 0.000 1.022 96 A CA -0.616 51.151 52.037 -0.450 0.000 0.833 96 A CB 0.207 18.714 19.000 -0.822 0.000 1.208 96 A HN 0.434 nan 8.150 nan 0.000 0.388 97 I N 2.155 122.386 120.570 -0.565 0.000 2.436 97 I HA 0.558 4.728 4.170 0.000 0.000 0.289 97 I C -1.239 174.546 176.117 -0.553 0.000 1.010 97 I CA -0.463 60.624 61.300 -0.355 0.000 1.098 97 I CB 1.615 39.446 38.000 -0.281 0.000 1.266 97 I HN 0.529 nan 8.210 nan 0.000 0.434 98 F N 6.100 125.934 119.950 -0.193 0.000 2.444 98 F HA 0.616 5.143 4.527 0.000 0.000 0.342 98 F C 0.053 175.830 175.800 -0.038 0.000 1.121 98 F CA -0.930 56.982 58.000 -0.146 0.000 0.997 98 F CB 1.664 40.625 39.000 -0.065 0.000 1.130 98 F HN 0.089 nan 8.300 nan 0.000 0.454 99 V N 2.998 122.928 119.914 0.027 0.000 2.914 99 V HA 0.477 4.597 4.120 0.000 0.000 0.314 99 V C -0.771 175.328 176.094 0.008 0.000 1.084 99 V CA -0.859 61.456 62.300 0.025 0.000 0.963 99 V CB 2.037 33.777 31.823 -0.137 0.000 1.025 99 V HN 0.696 nan 8.190 nan 0.000 0.432 100 Q N 4.007 123.859 119.800 0.086 0.000 2.239 100 Q HA 0.063 4.404 4.340 0.000 0.000 0.286 100 Q C 1.483 177.446 176.000 -0.062 0.000 1.102 100 Q CA 1.200 57.019 55.803 0.026 0.000 0.936 100 Q CB 0.615 29.404 28.738 0.085 0.000 1.127 100 Q HN 0.809 nan 8.270 nan 0.000 0.380 101 R N 3.809 124.245 120.500 -0.106 0.000 2.143 101 R HA -0.261 4.079 4.340 0.000 0.000 0.239 101 R C 0.913 177.175 176.300 -0.063 0.000 1.126 101 R CA 2.121 58.166 56.100 -0.091 0.000 0.927 101 R CB -1.150 29.094 30.300 -0.094 0.000 0.860 101 R HN 0.765 nan 8.270 nan 0.000 0.433 102 D N 0.996 121.367 120.400 -0.049 0.000 2.421 102 D HA -0.146 4.494 4.640 0.000 0.000 0.223 102 D C 0.016 176.296 176.300 -0.034 0.000 0.979 102 D CA 0.561 54.541 54.000 -0.035 0.000 0.959 102 D CB -0.245 40.540 40.800 -0.025 0.000 0.874 102 D HN 0.186 nan 8.370 nan 0.000 0.513 103 L N 1.132 122.328 121.223 -0.045 0.000 2.360 103 L HA 0.080 4.420 4.340 0.000 0.000 0.276 103 L C 1.030 177.872 176.870 -0.046 0.000 1.121 103 L CA -0.185 54.626 54.840 -0.049 0.000 0.845 103 L CB 0.853 42.871 42.059 -0.069 0.000 1.143 103 L HN -0.122 nan 8.230 nan 0.000 0.452 104 K N 5.121 125.500 120.400 -0.034 0.000 2.062 104 K HA 0.090 4.410 4.320 0.000 0.000 0.251 104 K C -0.554 176.026 176.600 -0.033 0.000 1.113 104 K CA -0.107 56.166 56.287 -0.025 0.000 1.096 104 K CB -0.386 32.106 32.500 -0.014 0.000 1.099 104 K HN 0.519 nan 8.250 nan 0.000 0.350 105 L N 4.324 125.524 121.223 -0.038 0.000 2.426 105 L HA 0.068 4.408 4.340 0.000 0.000 0.271 105 L C 0.675 177.545 176.870 -0.001 0.000 1.169 105 L CA -0.775 54.033 54.840 -0.054 0.000 0.836 105 L CB 0.803 42.832 42.059 -0.050 0.000 1.112 105 L HN 0.334 nan 8.230 nan 0.000 0.465 106 V N 0.985 120.898 119.914 -0.003 0.000 2.617 106 V HA -0.041 4.079 4.120 0.000 0.000 0.304 106 V C 0.478 176.647 176.094 0.124 0.000 1.040 106 V CA -0.499 61.838 62.300 0.061 0.000 1.149 106 V CB 0.290 32.159 31.823 0.077 0.000 0.914 106 V HN 0.965 nan 8.190 nan 0.000 0.487 107 Q N 4.001 123.855 119.800 0.090 0.000 2.398 107 Q HA 0.151 4.491 4.340 0.000 0.000 0.329 107 Q C 1.301 177.372 176.000 0.119 0.000 1.079 107 Q CA 1.112 56.967 55.803 0.086 0.000 1.041 107 Q CB -0.216 28.555 28.738 0.056 0.000 1.084 107 Q HN 2.020 nan 8.270 nan 0.000 0.386 108 G N 3.967 112.835 108.800 0.113 0.000 2.168 108 G HA2 -0.344 3.616 3.960 0.000 0.000 0.257 108 G HA3 -0.344 3.616 3.960 0.000 0.000 0.257 108 G C 0.044 175.046 174.900 0.170 0.000 0.997 108 G CA 0.443 45.608 45.100 0.110 0.000 0.708 108 G HN 0.785 nan 8.290 nan 0.000 0.520 109 F N 0.550 120.562 119.950 0.102 0.000 2.074 109 F HA 0.113 4.640 4.527 0.000 0.000 0.293 109 F C 2.689 178.601 175.800 0.186 0.000 1.116 109 F CA 2.118 60.208 58.000 0.150 0.000 1.212 109 F CB -0.208 38.849 39.000 0.095 0.000 0.998 109 F HN 0.145 nan 8.300 nan 0.000 0.471 110 M N 1.314 121.064 119.600 0.250 0.000 2.088 110 M HA -0.188 4.292 4.480 0.000 0.000 0.256 110 M C -0.265 176.105 176.300 0.118 0.000 1.071 110 M CA 2.224 57.617 55.300 0.156 0.000 1.097 110 M CB -2.866 29.823 32.600 0.148 0.000 1.315 110 M HN 0.135 nan 8.290 nan 0.000 0.406 111 P HA -0.202 nan 4.420 nan 0.000 0.216 111 P C 1.538 178.934 177.300 0.158 0.000 1.150 111 P CA 1.724 64.890 63.100 0.110 0.000 0.837 111 P CB -0.429 31.305 31.700 0.058 0.000 0.786 112 H N -1.382 117.654 119.070 -0.056 0.000 2.293 112 H HA -0.148 4.408 4.556 0.000 0.000 0.300 112 H C 2.124 177.347 175.328 -0.176 0.000 1.082 112 H CA 1.054 57.025 56.048 -0.129 0.000 1.308 112 H CB -0.435 29.213 29.762 -0.190 0.000 1.375 112 H HN -0.080 nan 8.280 nan 0.000 0.495 113 F N 0.829 120.538 119.950 -0.402 0.000 2.043 113 F HA -0.325 4.202 4.527 0.000 0.000 0.297 113 F C 2.326 178.063 175.800 -0.104 0.000 1.118 113 F CA 2.012 59.789 58.000 -0.371 0.000 1.202 113 F CB -0.867 37.923 39.000 -0.351 0.000 0.965 113 F HN 0.220 nan 8.300 nan 0.000 0.482 114 F N 1.086 121.083 119.950 0.078 0.000 2.250 114 F HA -0.194 4.333 4.527 0.000 0.000 0.301 114 F C 2.568 178.317 175.800 -0.085 0.000 1.077 114 F CA 1.803 59.824 58.000 0.034 0.000 1.348 114 F CB -0.516 38.534 39.000 0.083 0.000 1.040 114 F HN -0.051 nan 8.300 nan 0.000 0.509 115 R N -0.062 120.437 120.500 -0.003 0.000 2.070 115 R HA -0.172 4.168 4.340 0.000 0.000 0.233 115 R C 1.963 178.082 176.300 -0.303 0.000 1.137 115 R CA 2.078 58.133 56.100 -0.075 0.000 0.945 115 R CB -0.428 29.898 30.300 0.044 0.000 0.845 115 R HN 0.321 nan 8.270 nan 0.000 0.430 116 L N -0.643 120.280 121.223 -0.500 0.000 2.131 116 L HA -0.014 4.326 4.340 0.000 0.000 0.206 116 L C 1.552 177.896 176.870 -0.878 0.000 1.087 116 L CA 1.494 55.868 54.840 -0.776 0.000 0.767 116 L CB -0.292 41.041 42.059 -1.211 0.000 0.917 116 L HN 0.144 nan 8.230 nan 0.000 0.441 117 F N -1.507 118.120 119.950 -0.539 0.000 2.678 117 F HA 0.293 4.820 4.527 0.000 0.000 0.305 117 F C 0.856 176.372 175.800 -0.473 0.000 1.090 117 F CA -0.611 57.076 58.000 -0.521 0.000 1.272 117 F CB -0.037 38.524 39.000 -0.732 0.000 1.060 117 F HN -0.132 nan 8.300 nan 0.000 0.576 118 R N 0.232 120.419 120.500 -0.521 0.000 3.847 118 R HA -0.183 4.157 4.340 0.000 0.000 0.304 118 R C -0.338 175.744 176.300 -0.364 0.000 1.203 118 R CA 0.802 56.460 56.100 -0.738 0.000 0.835 118 R CB -2.607 27.456 30.300 -0.396 0.000 1.253 118 R HN 0.313 nan 8.270 nan 0.000 0.516 119 S N -1.135 114.514 115.700 -0.085 0.000 2.704 119 S HA 0.716 5.187 4.470 0.000 0.000 0.296 119 S C -0.017 174.894 174.600 0.518 0.000 1.138 119 S CA -0.287 58.057 58.200 0.239 0.000 0.875 119 S CB 2.744 66.068 63.200 0.207 0.000 1.151 119 S HN 0.256 nan 8.310 nan 0.000 0.500 120 T N -1.436 113.345 114.554 0.377 0.000 2.900 120 T HA 0.593 4.943 4.350 0.000 0.000 0.295 120 T C -0.726 173.903 174.700 -0.119 0.000 1.044 120 T CA -0.700 61.546 62.100 0.243 0.000 0.995 120 T CB 1.071 70.028 68.868 0.147 0.000 1.072 120 T HN 0.279 nan 8.240 nan 0.000 0.473 121 V N 4.207 123.902 119.914 -0.365 0.000 2.397 121 V HA 0.157 4.277 4.120 0.000 0.000 0.262 121 V C 0.572 176.415 176.094 -0.419 0.000 1.047 121 V CA -0.620 61.362 62.300 -0.529 0.000 1.003 121 V CB -0.525 30.980 31.823 -0.530 0.000 1.037 121 V HN 0.719 nan 8.190 nan 0.000 0.480 122 K N 5.158 125.197 120.400 -0.602 0.000 2.511 122 K HA 0.060 4.380 4.320 0.000 0.000 0.280 122 K C 0.021 176.408 176.600 -0.354 0.000 1.008 122 K CA 0.448 56.383 56.287 -0.585 0.000 1.050 122 K CB 0.235 32.048 32.500 -1.145 0.000 0.889 122 K HN 0.646 nan 8.250 nan 0.000 0.484 123 Q N 1.813 121.476 119.800 -0.228 0.000 2.400 123 Q HA 0.321 4.661 4.340 0.000 0.000 0.255 123 Q C -0.214 175.677 176.000 -0.182 0.000 1.008 123 Q CA -0.712 54.985 55.803 -0.176 0.000 0.841 123 Q CB 1.511 30.168 28.738 -0.135 0.000 1.220 123 Q HN 0.501 nan 8.270 nan 0.000 0.474 124 V N -1.124 118.621 119.914 -0.282 0.000 3.046 124 V HA 0.553 4.673 4.120 0.000 0.000 0.316 124 V C -0.700 175.112 176.094 -0.469 0.000 1.104 124 V CA -1.084 60.988 62.300 -0.380 0.000 1.006 124 V CB 2.266 33.775 31.823 -0.523 0.000 1.058 124 V HN 0.540 nan 8.190 nan 0.000 0.440 125 D N 1.183 121.377 120.400 -0.343 0.000 2.467 125 D HA 0.368 5.008 4.640 0.000 0.000 0.220 125 D C 0.255 176.430 176.300 -0.208 0.000 1.103 125 D CA -0.594 53.274 54.000 -0.221 0.000 0.886 125 D CB 0.412 41.150 40.800 -0.104 0.000 1.025 125 D HN 0.449 nan 8.370 nan 0.000 0.514 126 F N 1.529 121.454 119.950 -0.042 0.000 2.773 126 F HA -0.038 4.489 4.527 0.000 0.000 0.299 126 F C 2.302 178.081 175.800 -0.036 0.000 1.204 126 F CA 0.259 58.230 58.000 -0.049 0.000 1.454 126 F CB -0.243 38.715 39.000 -0.070 0.000 1.117 126 F HN 0.288 nan 8.300 nan 0.000 0.590 127 S N -1.193 114.566 115.700 0.098 0.000 2.436 127 S HA -0.036 4.434 4.470 0.000 0.000 0.228 127 S C 1.058 175.687 174.600 0.049 0.000 1.014 127 S CA 0.561 58.798 58.200 0.062 0.000 0.950 127 S CB -0.060 63.159 63.200 0.031 0.000 0.784 127 S HN 0.206 nan 8.310 nan 0.000 0.504 128 E N 2.159 122.380 120.200 0.036 0.000 2.201 128 E HA 0.191 4.542 4.350 0.000 0.000 0.272 128 E C 0.992 177.625 176.600 0.055 0.000 1.228 128 E CA -0.147 56.272 56.400 0.032 0.000 1.305 128 E CB 0.288 29.995 29.700 0.012 0.000 1.381 128 E HN 0.115 nan 8.360 nan 0.000 0.475 129 V N 1.118 121.075 119.914 0.071 0.000 2.277 129 V HA -0.308 3.812 4.120 0.000 0.000 0.253 129 V C 2.289 178.428 176.094 0.076 0.000 1.067 129 V CA 1.795 64.145 62.300 0.084 0.000 1.047 129 V CB -0.160 31.700 31.823 0.061 0.000 0.649 129 V HN 0.399 nan 8.190 nan 0.000 0.447 130 E N -0.340 119.896 120.200 0.061 0.000 2.077 130 E HA -0.210 4.140 4.350 0.000 0.000 0.193 130 E C 2.325 178.985 176.600 0.100 0.000 0.989 130 E CA 1.295 57.733 56.400 0.064 0.000 0.800 130 E CB -0.268 29.454 29.700 0.036 0.000 0.746 130 E HN 0.461 nan 8.360 nan 0.000 0.452 131 R N 0.937 121.494 120.500 0.096 0.000 2.061 131 R HA -0.007 4.333 4.340 0.000 0.000 0.230 131 R C 2.136 178.518 176.300 0.137 0.000 1.140 131 R CA 1.932 58.119 56.100 0.146 0.000 0.940 131 R CB -0.981 29.371 30.300 0.087 0.000 0.839 131 R HN 0.096 nan 8.270 nan 0.000 0.429 132 A N 0.878 123.722 122.820 0.040 0.000 1.865 132 A HA -0.217 4.103 4.320 0.000 0.000 0.217 132 A C 2.279 179.852 177.584 -0.018 0.000 1.191 132 A CA 1.880 53.888 52.037 -0.048 0.000 0.623 132 A CB -0.768 18.189 19.000 -0.071 0.000 0.826 132 A HN 0.460 nan 8.150 nan 0.000 0.444 133 R N -1.772 118.761 120.500 0.055 0.000 2.154 133 R HA -0.221 4.119 4.340 0.000 0.000 0.248 133 R C 1.870 178.199 176.300 0.047 0.000 1.155 133 R CA 2.141 58.259 56.100 0.031 0.000 0.979 133 R CB -0.411 29.927 30.300 0.064 0.000 0.869 133 R HN 0.575 nan 8.270 nan 0.000 0.452 134 F N 0.705 120.628 119.950 -0.045 0.000 2.179 134 F HA 0.047 4.574 4.527 0.000 0.000 0.292 134 F C 1.811 177.602 175.800 -0.015 0.000 1.089 134 F CA 0.850 58.837 58.000 -0.021 0.000 1.295 134 F CB -0.459 38.547 39.000 0.010 0.000 1.041 134 F HN -0.085 nan 8.300 nan 0.000 0.487 135 I N 0.565 120.950 120.570 -0.308 0.000 2.185 135 I HA -0.382 3.788 4.170 0.000 0.000 0.246 135 I C 2.455 178.435 176.117 -0.229 0.000 1.088 135 I CA 1.811 62.897 61.300 -0.357 0.000 1.347 135 I CB -0.581 37.328 38.000 -0.153 0.000 1.041 135 I HN 0.211 nan 8.210 nan 0.000 0.415 136 I N 0.602 120.987 120.570 -0.309 0.000 2.113 136 I HA -0.314 3.857 4.170 0.000 0.000 0.238 136 I C 2.180 178.217 176.117 -0.133 0.000 1.070 136 I CA 1.902 62.940 61.300 -0.436 0.000 1.332 136 I CB -0.645 36.973 38.000 -0.636 0.000 1.044 136 I HN 0.314 nan 8.210 nan 0.000 0.402 137 N N 0.581 119.196 118.700 -0.141 0.000 2.104 137 N HA -0.267 4.473 4.740 0.000 0.000 0.190 137 N C 1.452 176.969 175.510 0.011 0.000 1.024 137 N CA 1.669 54.683 53.050 -0.060 0.000 0.853 137 N CB -0.244 38.206 38.487 -0.061 0.000 1.008 137 N HN 0.337 nan 8.380 nan 0.000 0.424 138 D N 0.477 120.806 120.400 -0.117 0.000 2.221 138 D HA -0.187 4.453 4.640 0.000 0.000 0.204 138 D C 1.622 177.941 176.300 0.032 0.000 0.982 138 D CA 0.725 54.647 54.000 -0.131 0.000 0.857 138 D CB -0.020 40.423 40.800 -0.595 0.000 0.934 138 D HN 0.389 nan 8.370 nan 0.000 0.475 139 W N 0.550 121.807 121.300 -0.072 0.000 2.407 139 W HA -0.124 4.536 4.660 0.000 0.000 0.305 139 W C 1.527 178.054 176.519 0.013 0.000 1.196 139 W CA 0.714 58.054 57.345 -0.008 0.000 1.311 139 W CB -0.483 28.993 29.460 0.026 0.000 1.135 139 W HN -0.151 nan 8.180 nan 0.000 0.514 140 V N 1.839 121.888 119.914 0.225 0.000 2.594 140 V HA -0.299 3.821 4.120 0.000 0.000 0.253 140 V C 2.473 178.604 176.094 0.063 0.000 1.069 140 V CA 2.324 64.711 62.300 0.146 0.000 1.082 140 V CB -0.972 30.951 31.823 0.168 0.000 0.680 140 V HN 0.165 nan 8.190 nan 0.000 0.469 141 K N 0.882 121.315 120.400 0.055 0.000 2.021 141 K HA -0.151 4.169 4.320 0.000 0.000 0.205 141 K C 2.185 178.786 176.600 0.000 0.000 1.047 141 K CA 1.793 58.102 56.287 0.038 0.000 0.943 141 K CB -0.328 32.208 32.500 0.060 0.000 0.725 141 K HN 0.594 nan 8.250 nan 0.000 0.439 142 T N -1.702 112.850 114.554 -0.003 0.000 3.098 142 T HA -0.069 4.281 4.350 0.000 0.000 0.266 142 T C 0.872 175.449 174.700 -0.206 0.000 1.145 142 T CA 1.056 63.109 62.100 -0.079 0.000 1.092 142 T CB -0.305 68.507 68.868 -0.093 0.000 0.908 142 T HN 0.355 nan 8.240 nan 0.000 0.526 143 H N 0.490 119.372 119.070 -0.313 0.000 2.986 143 H HA 0.266 4.822 4.556 0.000 0.000 0.267 143 H C 1.800 177.067 175.328 -0.103 0.000 1.072 143 H CA 0.763 56.647 56.048 -0.273 0.000 1.202 143 H CB 0.509 29.999 29.762 -0.454 0.000 1.535 143 H HN 0.553 nan 8.280 nan 0.000 0.522 144 T N -1.300 113.279 114.554 0.041 0.000 3.214 144 T HA 0.157 4.507 4.350 0.000 0.000 0.264 144 T C 0.387 175.066 174.700 -0.035 0.000 1.012 144 T CA -0.572 61.562 62.100 0.056 0.000 0.901 144 T CB -0.045 68.874 68.868 0.085 0.000 1.070 144 T HN -0.012 nan 8.240 nan 0.000 0.561 145 K N 0.686 121.048 120.400 -0.064 0.000 3.160 145 K HA -0.213 4.107 4.320 0.000 0.000 0.280 145 K C 1.287 177.811 176.600 -0.127 0.000 1.154 145 K CA 0.825 57.049 56.287 -0.106 0.000 0.822 145 K CB -2.283 30.144 32.500 -0.121 0.000 1.239 145 K HN 1.153 nan 8.250 nan 0.000 0.489 146 G N -0.118 108.628 108.800 -0.090 0.000 2.189 146 G HA2 -0.390 3.570 3.960 0.000 0.000 0.267 146 G HA3 -0.390 3.570 3.960 0.000 0.000 0.267 146 G C 0.874 175.708 174.900 -0.111 0.000 0.975 146 G CA 0.662 45.716 45.100 -0.076 0.000 0.644 146 G HN 0.235 nan 8.290 nan 0.000 0.537 147 M N -0.282 119.198 119.600 -0.199 0.000 2.394 147 M HA 0.299 4.779 4.480 0.000 0.000 0.264 147 M C 1.295 177.542 176.300 -0.088 0.000 1.073 147 M CA 0.958 56.082 55.300 -0.294 0.000 1.111 147 M CB -0.341 31.784 32.600 -0.792 0.000 1.401 147 M HN 0.391 nan 8.290 nan 0.000 0.448 148 I N 0.443 121.009 120.570 -0.007 0.000 2.563 148 I HA 0.088 4.259 4.170 0.000 0.000 0.276 148 I C 0.775 176.940 176.117 0.080 0.000 1.074 148 I CA -0.222 61.120 61.300 0.070 0.000 1.124 148 I CB 1.131 39.201 38.000 0.117 0.000 1.225 148 I HN 0.040 nan 8.210 nan 0.000 0.482 149 S N 2.742 118.497 115.700 0.091 0.000 2.548 149 S HA 0.128 4.598 4.470 0.000 0.000 0.215 149 S C 0.477 175.195 174.600 0.197 0.000 0.976 149 S CA 0.280 58.552 58.200 0.121 0.000 0.908 149 S CB 0.045 63.308 63.200 0.104 0.000 0.781 149 S HN 0.674 nan 8.310 nan 0.000 0.519 150 H N -0.245 118.871 119.070 0.076 0.000 3.086 150 H HA 0.474 5.030 4.556 0.000 0.000 0.353 150 H C -2.064 173.307 175.328 0.071 0.000 1.134 150 H CA -0.725 55.370 56.048 0.078 0.000 1.248 150 H CB 1.302 31.107 29.762 0.072 0.000 1.878 150 H HN 0.167 nan 8.280 nan 0.000 0.527 151 L N 5.521 126.694 121.223 -0.083 0.000 2.313 151 L HA 0.156 4.496 4.340 0.000 0.000 0.283 151 L C 0.979 177.899 176.870 0.084 0.000 1.013 151 L CA -0.819 54.046 54.840 0.042 0.000 0.816 151 L CB 1.659 43.703 42.059 -0.024 0.000 1.236 151 L HN 0.478 nan 8.230 nan 0.000 0.419 152 L N 2.882 124.236 121.223 0.219 0.000 2.191 152 L HA -0.055 4.285 4.340 0.000 0.000 0.212 152 L C 2.384 179.324 176.870 0.116 0.000 1.103 152 L CA 1.644 56.617 54.840 0.221 0.000 0.769 152 L CB -0.836 41.315 42.059 0.152 0.000 0.908 152 L HN 0.844 nan 8.230 nan 0.000 0.438 153 G N -0.694 108.144 108.800 0.063 0.000 2.442 153 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 153 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 153 G C 1.634 176.532 174.900 -0.004 0.000 1.141 153 G CA 1.417 46.534 45.100 0.029 0.000 0.763 153 G HN 0.471 nan 8.290 nan 0.000 0.554 154 T N -0.872 113.655 114.554 -0.044 0.000 2.869 154 T HA -0.025 4.325 4.350 0.000 0.000 0.270 154 T C 2.355 177.046 174.700 -0.015 0.000 1.082 154 T CA 1.484 63.540 62.100 -0.073 0.000 1.123 154 T CB -0.675 68.102 68.868 -0.153 0.000 0.856 154 T HN 0.297 nan 8.240 nan 0.000 0.499 155 G N 0.918 109.740 108.800 0.037 0.000 2.537 155 G HA2 0.095 4.055 3.960 0.000 0.000 0.220 155 G HA3 0.095 4.055 3.960 0.000 0.000 0.220 155 G C 1.378 176.293 174.900 0.026 0.000 1.111 155 G CA 0.557 45.693 45.100 0.061 0.000 0.748 155 G HN 0.839 nan 8.290 nan 0.000 0.564 156 A N -0.255 122.565 122.820 0.001 0.000 2.431 156 A HA 0.523 4.843 4.320 0.000 0.000 0.239 156 A C 0.969 178.522 177.584 -0.052 0.000 1.230 156 A CA 0.372 52.398 52.037 -0.018 0.000 0.928 156 A CB 0.085 19.075 19.000 -0.016 0.000 1.006 156 A HN 0.686 nan 8.150 nan 0.000 0.520 157 V N 0.372 120.250 119.914 -0.061 0.000 2.637 157 V HA 0.534 4.654 4.120 0.000 0.000 0.296 157 V C -0.555 175.503 176.094 -0.059 0.000 1.046 157 V CA -0.337 61.897 62.300 -0.111 0.000 1.066 157 V CB 0.865 32.647 31.823 -0.070 0.000 0.968 157 V HN 0.478 nan 8.190 nan 0.000 0.483 158 D N 2.676 123.019 120.400 -0.094 0.000 2.664 158 D HA 0.164 4.804 4.640 0.000 0.000 0.292 158 D C 0.737 177.023 176.300 -0.023 0.000 1.214 158 D CA -0.179 53.802 54.000 -0.032 0.000 0.932 158 D CB 1.595 42.375 40.800 -0.033 0.000 1.420 158 D HN 0.553 nan 8.370 nan 0.000 0.471 159 Q N -0.387 119.421 119.800 0.013 0.000 2.376 159 Q HA -0.098 4.242 4.340 0.000 0.000 0.211 159 Q C 1.512 177.512 176.000 0.000 0.000 0.986 159 Q CA 1.358 57.181 55.803 0.033 0.000 0.886 159 Q CB -0.356 28.398 28.738 0.027 0.000 0.927 159 Q HN 0.467 nan 8.270 nan 0.000 0.457 160 L N 1.086 122.280 121.223 -0.050 0.000 2.567 160 L HA 0.140 4.480 4.340 0.000 0.000 0.225 160 L C 0.478 177.244 176.870 -0.174 0.000 1.119 160 L CA -0.235 54.559 54.840 -0.077 0.000 0.871 160 L CB -0.036 41.989 42.059 -0.055 0.000 1.036 160 L HN 0.083 nan 8.230 nan 0.000 0.459 161 T N 0.251 114.634 114.554 -0.286 0.000 2.946 161 T HA 0.061 4.411 4.350 0.000 0.000 0.311 161 T C 1.067 175.433 174.700 -0.557 0.000 1.063 161 T CA 0.108 61.852 62.100 -0.594 0.000 1.139 161 T CB 1.480 69.666 68.868 -1.137 0.000 0.994 161 T HN 0.167 nan 8.240 nan 0.000 0.547 162 R N 0.579 120.749 120.500 -0.551 0.000 2.437 162 R HA 0.321 4.662 4.340 0.000 0.000 0.184 162 R C -0.525 175.621 176.300 -0.255 0.000 0.850 162 R CA -0.046 55.868 56.100 -0.309 0.000 1.073 162 R CB -0.111 29.978 30.300 -0.351 0.000 1.336 162 R HN 0.436 nan 8.270 nan 0.000 0.640 163 L N 1.232 122.202 121.223 -0.420 0.000 2.409 163 L HA 0.539 4.879 4.340 0.000 0.000 0.272 163 L C -1.381 175.320 176.870 -0.281 0.000 0.980 163 L CA -0.763 53.874 54.840 -0.337 0.000 0.826 163 L CB 2.208 43.930 42.059 -0.561 0.000 1.268 163 L HN -0.232 nan 8.230 nan 0.000 0.407 164 V N 5.562 125.421 119.914 -0.092 0.000 2.656 164 V HA 0.561 4.681 4.120 0.000 0.000 0.307 164 V C -0.618 175.520 176.094 0.073 0.000 1.051 164 V CA -0.679 61.605 62.300 -0.026 0.000 0.893 164 V CB 2.010 33.840 31.823 0.012 0.000 0.999 164 V HN 0.739 nan 8.190 nan 0.000 0.426 165 L N 4.911 126.161 121.223 0.045 0.000 2.365 165 L HA 0.929 5.269 4.340 0.000 0.000 0.273 165 L C -1.472 175.452 176.870 0.090 0.000 1.000 165 L CA -0.398 54.478 54.840 0.061 0.000 0.819 165 L CB 1.983 44.060 42.059 0.031 0.000 1.284 165 L HN 0.511 nan 8.230 nan 0.000 0.418 166 V N 3.165 123.140 119.914 0.103 0.000 2.932 166 V HA 0.524 4.644 4.120 0.000 0.000 0.307 166 V C -1.253 174.901 176.094 0.099 0.000 1.147 166 V CA -0.733 61.635 62.300 0.113 0.000 0.951 166 V CB 2.255 34.179 31.823 0.169 0.000 1.031 166 V HN 0.830 nan 8.190 nan 0.000 0.426 167 N N 1.872 120.628 118.700 0.093 0.000 2.397 167 N HA 0.796 5.536 4.740 0.000 0.000 0.291 167 N C -1.098 174.475 175.510 0.104 0.000 1.065 167 N CA 0.049 53.148 53.050 0.082 0.000 0.884 167 N CB 2.142 40.639 38.487 0.016 0.000 1.551 167 N HN 1.122 nan 8.380 nan 0.000 0.487 168 A N 3.022 125.932 122.820 0.150 0.000 2.422 168 A HA 0.819 5.139 4.320 0.000 0.000 0.302 168 A C -1.575 176.142 177.584 0.222 0.000 1.041 168 A CA -0.518 51.623 52.037 0.174 0.000 0.708 168 A CB 0.876 19.985 19.000 0.181 0.000 1.257 168 A HN 0.554 nan 8.150 nan 0.000 0.414 169 L N 1.185 122.569 121.223 0.268 0.000 2.424 169 L HA 0.624 4.964 4.340 0.000 0.000 0.258 169 L C -1.264 175.830 176.870 0.374 0.000 0.995 169 L CA -0.826 54.236 54.840 0.371 0.000 0.821 169 L CB 2.306 44.682 42.059 0.529 0.000 1.383 169 L HN 0.819 nan 8.230 nan 0.000 0.410 170 Y N 1.987 122.423 120.300 0.227 0.000 2.421 170 Y HA 0.698 5.248 4.550 0.000 0.000 0.339 170 Y C -1.910 174.050 175.900 0.101 0.000 0.996 170 Y CA -1.064 57.096 58.100 0.100 0.000 1.046 170 Y CB 1.879 40.370 38.460 0.052 0.000 1.226 170 Y HN 0.423 nan 8.280 nan 0.000 0.445 171 F N 6.614 125.888 119.950 -1.126 0.000 2.581 171 F HA 0.494 5.021 4.527 0.000 0.000 0.311 171 F C -1.465 173.719 175.800 -1.026 0.000 1.113 171 F CA -0.738 56.677 58.000 -0.976 0.000 0.935 171 F CB 1.744 40.149 39.000 -0.991 0.000 1.232 171 F HN 0.681 nan 8.300 nan 0.000 0.445 172 N N 4.089 121.758 118.700 -1.718 0.000 2.824 172 N HA 0.270 5.011 4.740 0.000 0.000 0.224 172 N C -0.463 174.248 175.510 -1.331 0.000 1.418 172 N CA -0.355 51.919 53.050 -1.293 0.000 0.743 172 N CB 0.560 38.632 38.487 -0.692 0.000 1.395 172 N HN 0.900 nan 8.380 nan 0.000 0.548 173 G N 0.823 108.422 108.800 -2.002 0.000 2.636 173 G HA2 0.098 4.058 3.960 0.000 0.000 0.246 173 G HA3 0.098 4.058 3.960 0.000 0.000 0.246 173 G C -0.325 174.144 174.900 -0.718 0.000 1.216 173 G CA -0.042 44.240 45.100 -1.364 0.000 0.854 173 G HN 0.523 nan 8.290 nan 0.000 0.572 174 Q N -0.100 119.451 119.800 -0.415 0.000 2.340 174 Q HA 0.173 4.513 4.340 0.000 0.000 0.259 174 Q C -0.709 175.383 176.000 0.153 0.000 0.964 174 Q CA -0.338 55.333 55.803 -0.220 0.000 0.900 174 Q CB 1.586 30.125 28.738 -0.332 0.000 1.228 174 Q HN 0.611 nan 8.270 nan 0.000 0.449 175 W N 2.545 123.997 121.300 0.252 0.000 2.231 175 W HA -0.036 4.624 4.660 0.000 0.000 0.341 175 W C 1.537 178.146 176.519 0.149 0.000 1.298 175 W CA -0.149 57.304 57.345 0.179 0.000 1.266 175 W CB 0.643 30.188 29.460 0.141 0.000 1.172 175 W HN 0.666 nan 8.180 nan 0.000 0.568 176 K N 0.550 121.208 120.400 0.429 0.000 2.031 176 K HA -0.077 4.243 4.320 0.000 0.000 0.205 176 K C 0.285 176.972 176.600 0.146 0.000 1.049 176 K CA 1.161 57.599 56.287 0.252 0.000 0.939 176 K CB -0.061 32.538 32.500 0.165 0.000 0.717 176 K HN 0.332 nan 8.250 nan 0.000 0.438 177 T N 3.771 118.367 114.554 0.069 0.000 2.963 177 T HA 0.334 4.684 4.350 0.000 0.000 0.343 177 T C -2.664 171.997 174.700 -0.065 0.000 1.146 177 T CA -1.557 60.506 62.100 -0.061 0.000 1.016 177 T CB 1.708 70.435 68.868 -0.236 0.000 1.046 177 T HN 0.077 nan 8.240 nan 0.000 0.496 178 P HA 0.204 nan 4.420 nan 0.000 0.269 178 P C -0.522 176.810 177.300 0.054 0.000 1.209 178 P CA -0.444 62.775 63.100 0.197 0.000 0.776 178 P CB 0.330 32.151 31.700 0.202 0.000 0.876 179 F N 2.904 122.830 119.950 -0.039 0.000 2.427 179 F HA 0.278 4.806 4.527 0.000 0.000 0.352 179 F C -1.620 174.168 175.800 -0.021 0.000 1.100 179 F CA -2.085 55.877 58.000 -0.064 0.000 1.191 179 F CB -0.354 38.597 39.000 -0.082 0.000 1.128 179 F HN 0.181 nan 8.300 nan 0.000 0.533 180 P HA 0.014 nan 4.420 nan 0.000 0.267 180 P C 0.308 177.651 177.300 0.072 0.000 1.205 180 P CA 0.146 63.281 63.100 0.058 0.000 0.765 180 P CB 0.703 32.408 31.700 0.008 0.000 0.828 181 D N 1.506 121.940 120.400 0.057 0.000 2.117 181 D HA -0.123 4.517 4.640 0.000 0.000 0.197 181 D C 1.386 177.698 176.300 0.020 0.000 0.987 181 D CA 1.599 55.625 54.000 0.043 0.000 0.829 181 D CB -0.311 40.510 40.800 0.035 0.000 0.961 181 D HN 0.409 nan 8.370 nan 0.000 0.460 182 S N -0.183 115.523 115.700 0.010 0.000 2.795 182 S HA 0.005 4.476 4.470 0.000 0.000 0.236 182 S C 1.522 176.107 174.600 -0.026 0.000 0.973 182 S CA 0.301 58.499 58.200 -0.004 0.000 0.982 182 S CB 0.058 63.255 63.200 -0.005 0.000 0.786 182 S HN -0.011 nan 8.310 nan 0.000 0.538 183 S N 0.184 115.863 115.700 -0.035 0.000 2.741 183 S HA 0.129 4.599 4.470 0.000 0.000 0.245 183 S C 0.528 175.031 174.600 -0.162 0.000 1.083 183 S CA -0.194 57.940 58.200 -0.110 0.000 0.873 183 S CB -0.095 63.056 63.200 -0.082 0.000 0.814 183 S HN 0.548 nan 8.310 nan 0.000 0.476 184 T N 4.793 119.322 114.554 -0.043 0.000 2.669 184 T HA -0.016 4.334 4.350 0.000 0.000 0.245 184 T C 0.265 175.025 174.700 0.100 0.000 1.053 184 T CA 0.491 62.605 62.100 0.023 0.000 1.387 184 T CB -1.040 67.848 68.868 0.033 0.000 1.045 184 T HN 0.558 nan 8.240 nan 0.000 0.531 185 H N 1.249 120.334 119.070 0.025 0.000 2.497 185 H HA 0.489 5.046 4.556 0.000 0.000 0.348 185 H C 0.626 175.969 175.328 0.024 0.000 1.335 185 H CA -1.492 54.569 56.048 0.023 0.000 1.395 185 H CB 1.167 30.943 29.762 0.023 0.000 1.658 185 H HN 0.267 nan 8.280 nan 0.000 0.613 186 R N 1.191 121.752 120.500 0.102 0.000 3.559 186 R HA 0.190 4.530 4.340 0.000 0.000 0.273 186 R C -0.444 175.816 176.300 -0.066 0.000 1.423 186 R CA -0.399 55.713 56.100 0.020 0.000 1.581 186 R CB -0.009 30.308 30.300 0.029 0.000 1.338 186 R HN 0.598 nan 8.270 nan 0.000 0.667 187 R N 0.430 120.836 120.500 -0.158 0.000 2.822 187 R HA 0.094 4.435 4.340 0.000 0.000 0.277 187 R C -0.130 176.162 176.300 -0.014 0.000 1.102 187 R CA -0.403 55.599 56.100 -0.162 0.000 1.207 187 R CB 0.421 30.584 30.300 -0.227 0.000 1.139 187 R HN 0.171 nan 8.270 nan 0.000 0.557 188 L N 1.023 122.254 121.223 0.012 0.000 2.334 188 L HA 0.400 4.740 4.340 0.000 0.000 0.277 188 L C -1.150 175.828 176.870 0.181 0.000 1.075 188 L CA 0.053 54.928 54.840 0.058 0.000 0.804 188 L CB 0.933 42.985 42.059 -0.011 0.000 1.174 188 L HN 0.389 nan 8.230 nan 0.000 0.438 189 F N 2.895 122.852 119.950 0.013 0.000 2.520 189 F HA 0.486 5.013 4.527 0.000 0.000 0.322 189 F C -0.752 175.075 175.800 0.045 0.000 1.103 189 F CA -0.480 57.578 58.000 0.096 0.000 0.926 189 F CB 1.051 40.102 39.000 0.084 0.000 1.154 189 F HN 0.560 nan 8.300 nan 0.000 0.453 190 H N 4.497 123.201 119.070 -0.611 0.000 2.552 190 H HA 0.375 4.931 4.556 0.000 0.000 0.311 190 H C -0.432 174.616 175.328 -0.467 0.000 1.071 190 H CA -0.635 55.177 56.048 -0.393 0.000 1.307 190 H CB 0.913 30.490 29.762 -0.308 0.000 1.416 190 H HN 0.447 nan 8.280 nan 0.000 0.464 191 K N 0.884 121.252 120.400 -0.053 0.000 2.102 191 K HA 0.121 4.441 4.320 0.000 0.000 0.244 191 K C 1.101 177.705 176.600 0.006 0.000 1.021 191 K CA 0.001 56.312 56.287 0.040 0.000 0.913 191 K CB 0.899 33.459 32.500 0.100 0.000 1.062 191 K HN 0.676 nan 8.250 nan 0.000 0.485 192 S N -0.232 115.486 115.700 0.030 0.000 2.402 192 S HA -0.204 4.266 4.470 0.000 0.000 0.229 192 S C 1.593 176.203 174.600 0.016 0.000 1.021 192 S CA 1.339 59.548 58.200 0.014 0.000 0.974 192 S CB -0.215 63.000 63.200 0.025 0.000 0.800 192 S HN 0.737 nan 8.310 nan 0.000 0.484 193 D N 2.077 122.494 120.400 0.027 0.000 2.170 193 D HA -0.155 4.485 4.640 0.000 0.000 0.193 193 D C 1.626 177.934 176.300 0.014 0.000 1.004 193 D CA 2.406 56.420 54.000 0.023 0.000 0.860 193 D CB -0.679 40.139 40.800 0.031 0.000 0.931 193 D HN 0.666 nan 8.370 nan 0.000 0.448 194 G N -0.634 108.174 108.800 0.012 0.000 2.699 194 G HA2 -0.233 3.727 3.960 0.000 0.000 0.198 194 G HA3 -0.233 3.727 3.960 0.000 0.000 0.198 194 G C 0.653 175.552 174.900 -0.003 0.000 1.033 194 G CA 0.741 45.846 45.100 0.009 0.000 0.728 194 G HN 0.682 nan 8.290 nan 0.000 0.484 195 S N 0.348 116.044 115.700 -0.007 0.000 2.629 195 S HA 0.629 5.099 4.470 0.000 0.000 0.250 195 S C 0.551 175.111 174.600 -0.067 0.000 1.318 195 S CA 1.503 59.688 58.200 -0.026 0.000 0.970 195 S CB 0.702 63.900 63.200 -0.003 0.000 0.996 195 S HN 2.066 nan 8.310 nan 0.000 0.563 196 T N -3.460 111.053 114.554 -0.069 0.000 2.739 196 T HA 0.678 5.028 4.350 0.000 0.000 0.303 196 T C -0.902 173.794 174.700 -0.006 0.000 1.389 196 T CA -0.366 61.671 62.100 -0.105 0.000 1.001 196 T CB 0.815 69.526 68.868 -0.263 0.000 1.436 196 T HN 1.994 nan 8.240 nan 0.000 0.500 197 V N -2.403 117.535 119.914 0.041 0.000 3.023 197 V HA 0.725 4.845 4.120 0.000 0.000 0.294 197 V C -0.650 175.491 176.094 0.078 0.000 1.324 197 V CA -0.988 61.351 62.300 0.065 0.000 0.979 197 V CB 1.549 33.428 31.823 0.095 0.000 1.093 197 V HN 1.036 nan 8.190 nan 0.000 0.434 198 S N 2.749 118.474 115.700 0.042 0.000 2.399 198 S HA 0.679 5.149 4.470 0.000 0.000 0.301 198 S C 0.029 174.653 174.600 0.039 0.000 1.093 198 S CA -0.233 57.990 58.200 0.037 0.000 1.077 198 S CB 0.713 63.920 63.200 0.013 0.000 0.980 198 S HN 1.513 nan 8.310 nan 0.000 0.494 199 V N 2.488 122.431 119.914 0.049 0.000 2.919 199 V HA 0.749 4.869 4.120 0.000 0.000 0.316 199 V C -3.019 173.096 176.094 0.035 0.000 1.077 199 V CA -3.233 59.083 62.300 0.027 0.000 0.977 199 V CB 1.151 32.967 31.823 -0.012 0.000 1.039 199 V HN 0.378 nan 8.190 nan 0.000 0.441 200 P HA 0.413 nan 4.420 nan 0.000 0.271 200 P C -0.723 176.616 177.300 0.065 0.000 1.216 200 P CA 0.182 63.314 63.100 0.053 0.000 0.776 200 P CB 0.325 32.048 31.700 0.039 0.000 0.881 201 M N 3.242 122.910 119.600 0.113 0.000 2.122 201 M HA 0.317 4.797 4.480 0.000 0.000 0.269 201 M C 0.021 176.417 176.300 0.160 0.000 0.954 201 M CA -0.535 54.839 55.300 0.122 0.000 0.998 201 M CB 1.369 34.050 32.600 0.134 0.000 1.755 201 M HN 0.315 nan 8.290 nan 0.000 0.459 202 M N 1.711 121.320 119.600 0.015 0.000 2.157 202 M HA 0.874 5.354 4.480 0.000 0.000 0.304 202 M C -0.310 176.047 176.300 0.095 0.000 1.171 202 M CA -0.092 55.203 55.300 -0.009 0.000 1.157 202 M CB 0.658 33.131 32.600 -0.211 0.000 1.403 202 M HN 0.680 nan 8.290 nan 0.000 0.473 203 A N 1.485 124.458 122.820 0.256 0.000 2.565 203 A HA 0.549 4.870 4.320 0.000 0.000 0.298 203 A C -1.513 176.177 177.584 0.176 0.000 1.062 203 A CA -0.853 51.342 52.037 0.263 0.000 0.723 203 A CB 1.483 20.525 19.000 0.070 0.000 1.282 203 A HN 0.941 nan 8.150 nan 0.000 0.400 204 Q N 0.286 120.097 119.800 0.018 0.000 2.421 204 Q HA 0.832 5.172 4.340 0.000 0.000 0.280 204 Q C -1.083 174.935 176.000 0.030 0.000 1.085 204 Q CA -0.813 54.916 55.803 -0.124 0.000 0.807 204 Q CB 2.090 30.531 28.738 -0.495 0.000 1.405 204 Q HN 0.434 nan 8.270 nan 0.000 0.419 205 T N 2.499 117.057 114.554 0.006 0.000 2.794 205 T HA 0.599 4.949 4.350 0.000 0.000 0.280 205 T C -0.817 173.864 174.700 -0.032 0.000 0.987 205 T CA -0.520 61.623 62.100 0.071 0.000 0.993 205 T CB 0.678 69.545 68.868 -0.002 0.000 0.939 205 T HN 0.614 nan 8.240 nan 0.000 0.449 206 N N 1.302 119.993 118.700 -0.016 0.000 3.355 206 N HA 0.113 4.853 4.740 0.000 0.000 0.238 206 N C -1.559 173.765 175.510 -0.309 0.000 1.466 206 N CA -0.673 52.138 53.050 -0.397 0.000 0.882 206 N CB 1.505 39.433 38.487 -0.932 0.000 1.406 206 N HN 0.359 nan 8.380 nan 0.000 0.500 207 K N 1.781 121.992 120.400 -0.315 0.000 2.187 207 K HA 0.241 4.561 4.320 0.000 0.000 0.242 207 K C -0.492 176.012 176.600 -0.160 0.000 1.179 207 K CA -0.186 56.021 56.287 -0.134 0.000 1.097 207 K CB -0.455 31.988 32.500 -0.094 0.000 1.634 207 K HN 0.210 nan 8.250 nan 0.000 0.335 208 F N 0.962 120.863 119.950 -0.082 0.000 2.553 208 F HA -0.030 4.497 4.527 0.000 0.000 0.356 208 F C 1.263 177.059 175.800 -0.007 0.000 1.142 208 F CA -0.570 57.385 58.000 -0.075 0.000 1.322 208 F CB 0.084 39.027 39.000 -0.094 0.000 1.126 208 F HN 0.317 nan 8.300 nan 0.000 0.599 209 N N 2.355 121.139 118.700 0.140 0.000 2.406 209 N HA 0.033 4.773 4.740 0.000 0.000 0.265 209 N C -1.223 174.388 175.510 0.169 0.000 1.203 209 N CA 0.085 53.199 53.050 0.105 0.000 0.945 209 N CB -0.152 38.354 38.487 0.031 0.000 1.165 209 N HN 0.480 nan 8.380 nan 0.000 0.485 210 Y N 2.471 122.809 120.300 0.063 0.000 2.549 210 Y HA 0.680 5.230 4.550 0.000 0.000 0.339 210 Y C -0.341 175.602 175.900 0.071 0.000 1.053 210 Y CA -0.649 57.486 58.100 0.057 0.000 1.105 210 Y CB 1.889 40.379 38.460 0.050 0.000 1.258 210 Y HN 0.361 nan 8.280 nan 0.000 0.478 211 T N 3.607 117.352 114.554 -1.348 0.000 3.087 211 T HA 0.208 4.558 4.350 0.000 0.000 0.351 211 T C -2.041 172.099 174.700 -0.934 0.000 1.520 211 T CA -0.748 60.789 62.100 -0.938 0.000 1.111 211 T CB 1.045 69.737 68.868 -0.293 0.000 1.353 211 T HN 0.813 nan 8.240 nan 0.000 0.481 212 E N 2.763 122.731 120.200 -0.387 0.000 2.216 212 E HA 0.618 4.968 4.350 0.000 0.000 0.279 212 E C -1.411 175.287 176.600 0.163 0.000 0.997 212 E CA -0.681 55.751 56.400 0.053 0.000 0.817 212 E CB 0.869 30.722 29.700 0.254 0.000 1.096 212 E HN 0.450 nan 8.360 nan 0.000 0.393 213 F N 1.900 121.890 119.950 0.067 0.000 2.577 213 F HA 0.492 5.019 4.527 0.000 0.000 0.318 213 F C -1.122 174.747 175.800 0.114 0.000 1.065 213 F CA -0.442 57.612 58.000 0.089 0.000 0.929 213 F CB 2.288 41.306 39.000 0.029 0.000 1.237 213 F HN 0.235 nan 8.300 nan 0.000 0.468 214 T N 2.808 116.704 114.554 -1.096 0.000 2.881 214 T HA 0.351 4.701 4.350 0.000 0.000 0.291 214 T C -0.562 173.421 174.700 -1.195 0.000 0.990 214 T CA -0.666 60.836 62.100 -0.997 0.000 0.976 214 T CB 1.019 69.440 68.868 -0.745 0.000 0.970 214 T HN 0.783 nan 8.240 nan 0.000 0.438 215 T N 1.318 115.450 114.554 -0.705 0.000 2.926 215 T HA 0.214 4.565 4.350 0.000 0.000 0.307 215 T C -1.990 172.525 174.700 -0.308 0.000 1.059 215 T CA -1.484 60.409 62.100 -0.344 0.000 1.122 215 T CB 0.375 69.214 68.868 -0.048 0.000 0.972 215 T HN 0.122 nan 8.240 nan 0.000 0.545 216 P HA 0.013 nan 4.420 nan 0.000 0.261 216 P C 0.243 177.444 177.300 -0.166 0.000 1.277 216 P CA 0.750 63.763 63.100 -0.145 0.000 0.748 216 P CB -0.190 31.465 31.700 -0.076 0.000 1.062 217 D N -3.557 116.693 120.400 -0.251 0.000 2.712 217 D HA 0.160 4.801 4.640 0.000 0.000 0.300 217 D C 0.867 176.996 176.300 -0.284 0.000 1.521 217 D CA -0.263 53.571 54.000 -0.276 0.000 0.790 217 D CB -0.331 40.262 40.800 -0.345 0.000 1.155 217 D HN 0.095 nan 8.370 nan 0.000 0.456 218 G N 1.070 109.746 108.800 -0.207 0.000 2.132 218 G HA2 -0.234 3.726 3.960 0.000 0.000 0.228 218 G HA3 -0.234 3.726 3.960 0.000 0.000 0.228 218 G C -0.368 174.651 174.900 0.197 0.000 1.000 218 G CA -0.213 44.889 45.100 0.004 0.000 0.693 218 G HN 0.628 nan 8.290 nan 0.000 0.515 219 H N -0.787 118.153 119.070 -0.218 0.000 2.504 219 H HA 0.505 5.061 4.556 0.000 0.000 0.322 219 H C -0.841 174.367 175.328 -0.200 0.000 1.055 219 H CA -0.828 55.208 56.048 -0.020 0.000 1.231 219 H CB 0.901 30.786 29.762 0.205 0.000 1.417 219 H HN 0.228 nan 8.280 nan 0.000 0.472 220 Y N 2.896 123.277 120.300 0.135 0.000 2.342 220 Y HA 0.214 4.764 4.550 0.000 0.000 0.338 220 Y C -0.619 175.396 175.900 0.192 0.000 0.965 220 Y CA -0.851 57.316 58.100 0.112 0.000 1.159 220 Y CB 0.175 38.560 38.460 -0.125 0.000 1.157 220 Y HN 0.531 nan 8.280 nan 0.000 0.486 221 Y N 0.795 121.282 120.300 0.312 0.000 2.567 221 Y HA 0.436 4.986 4.550 0.000 0.000 0.333 221 Y C 0.019 176.109 175.900 0.317 0.000 1.106 221 Y CA -1.564 56.727 58.100 0.319 0.000 1.157 221 Y CB 1.232 39.846 38.460 0.256 0.000 1.277 221 Y HN 0.454 nan 8.280 nan 0.000 0.490 222 D N 1.987 122.624 120.400 0.396 0.000 2.217 222 D HA 0.384 5.024 4.640 0.000 0.000 0.243 222 D C -0.797 175.584 176.300 0.135 0.000 1.054 222 D CA -0.052 54.147 54.000 0.332 0.000 0.838 222 D CB 1.658 42.618 40.800 0.266 0.000 1.162 222 D HN 0.232 nan 8.370 nan 0.000 0.472 223 I N 3.323 123.869 120.570 -0.040 0.000 2.389 223 I HA 0.367 4.537 4.170 0.000 0.000 0.288 223 I C 0.151 176.256 176.117 -0.020 0.000 0.999 223 I CA -0.446 60.726 61.300 -0.213 0.000 1.129 223 I CB 1.346 38.984 38.000 -0.603 0.000 1.288 223 I HN 0.185 nan 8.210 nan 0.000 0.444 224 L N 4.748 126.007 121.223 0.060 0.000 2.286 224 L HA 0.577 4.917 4.340 0.000 0.000 0.265 224 L C -0.109 176.738 176.870 -0.038 0.000 1.012 224 L CA -0.654 54.230 54.840 0.074 0.000 0.818 224 L CB 2.643 44.717 42.059 0.024 0.000 1.337 224 L HN 0.592 nan 8.230 nan 0.000 0.438 225 E N 1.796 121.924 120.200 -0.120 0.000 2.260 225 E HA 0.421 4.771 4.350 0.000 0.000 0.266 225 E C -1.816 174.675 176.600 -0.180 0.000 0.887 225 E CA -0.545 55.603 56.400 -0.420 0.000 0.777 225 E CB 1.607 30.921 29.700 -0.644 0.000 1.205 225 E HN 0.446 nan 8.360 nan 0.000 0.414 226 L N 6.802 127.934 121.223 -0.151 0.000 2.295 226 L HA 0.468 4.808 4.340 0.000 0.000 0.281 226 L C -2.152 174.700 176.870 -0.030 0.000 1.018 226 L CA -2.066 52.721 54.840 -0.089 0.000 0.841 226 L CB 1.346 43.285 42.059 -0.200 0.000 1.218 226 L HN 0.382 nan 8.230 nan 0.000 0.424 227 P HA 0.080 nan 4.420 nan 0.000 0.276 227 P C -1.168 176.260 177.300 0.214 0.000 1.230 227 P CA -0.064 63.084 63.100 0.081 0.000 0.776 227 P CB 0.772 32.494 31.700 0.037 0.000 0.888 228 Y N 1.243 121.763 120.300 0.368 0.000 2.374 228 Y HA 0.151 4.701 4.550 0.000 0.000 0.322 228 Y C 1.782 177.909 175.900 0.377 0.000 1.275 228 Y CA 0.021 58.360 58.100 0.398 0.000 1.307 228 Y CB 0.022 38.688 38.460 0.343 0.000 1.282 228 Y HN 0.528 nan 8.280 nan 0.000 0.509 229 H N -0.619 118.668 119.070 0.361 0.000 3.163 229 H HA 0.089 4.646 4.556 0.000 0.000 0.321 229 H C 1.213 176.653 175.328 0.185 0.000 1.006 229 H CA 0.126 56.313 56.048 0.232 0.000 1.344 229 H CB 0.052 29.938 29.762 0.207 0.000 1.272 229 H HN 0.931 nan 8.280 nan 0.000 0.594 230 G N 2.575 111.396 108.800 0.035 0.000 2.180 230 G HA2 -0.437 3.523 3.960 0.000 0.000 0.263 230 G HA3 -0.437 3.523 3.960 0.000 0.000 0.263 230 G C 0.248 175.109 174.900 -0.064 0.000 0.989 230 G CA 0.789 45.836 45.100 -0.088 0.000 0.692 230 G HN 1.115 nan 8.290 nan 0.000 0.526 231 D N -2.238 118.176 120.400 0.023 0.000 3.018 231 D HA -0.216 4.424 4.640 0.000 0.000 0.224 231 D C 1.637 177.897 176.300 -0.066 0.000 1.185 231 D CA 1.974 55.983 54.000 0.015 0.000 0.858 231 D CB -1.497 39.295 40.800 -0.013 0.000 1.112 231 D HN 0.585 nan 8.370 nan 0.000 0.415 232 T N -0.586 113.882 114.554 -0.144 0.000 2.614 232 T HA -0.040 4.310 4.350 0.000 0.000 0.263 232 T C 1.161 175.687 174.700 -0.290 0.000 1.055 232 T CA 0.720 62.581 62.100 -0.398 0.000 1.162 232 T CB 0.131 68.552 68.868 -0.744 0.000 0.863 232 T HN 0.217 nan 8.240 nan 0.000 0.414 233 L N 0.697 121.908 121.223 -0.020 0.000 2.334 233 L HA 0.558 4.898 4.340 0.000 0.000 0.272 233 L C -0.345 176.785 176.870 0.433 0.000 1.020 233 L CA -0.618 54.337 54.840 0.191 0.000 0.812 233 L CB 1.881 44.104 42.059 0.273 0.000 1.264 233 L HN 0.055 nan 8.230 nan 0.000 0.439 234 S N 1.934 117.899 115.700 0.441 0.000 2.536 234 S HA 0.586 5.056 4.470 0.000 0.000 0.287 234 S C -0.839 174.076 174.600 0.524 0.000 1.101 234 S CA -0.564 57.872 58.200 0.395 0.000 0.950 234 S CB 2.047 65.377 63.200 0.216 0.000 1.056 234 S HN 0.512 nan 8.310 nan 0.000 0.481 235 M N 3.703 123.533 119.600 0.384 0.000 2.088 235 M HA 0.590 5.070 4.480 0.000 0.000 0.346 235 M C -2.038 174.453 176.300 0.318 0.000 1.111 235 M CA -0.200 55.406 55.300 0.509 0.000 1.017 235 M CB -0.233 32.681 32.600 0.525 0.000 1.568 235 M HN 0.451 nan 8.290 nan 0.000 0.445 236 F N 5.890 126.071 119.950 0.386 0.000 2.436 236 F HA 0.594 5.121 4.527 0.000 0.000 0.340 236 F C -0.327 175.673 175.800 0.332 0.000 1.113 236 F CA -0.435 57.755 58.000 0.316 0.000 1.022 236 F CB 1.066 40.278 39.000 0.354 0.000 1.128 236 F HN 0.437 nan 8.300 nan 0.000 0.466 237 I N 3.261 124.040 120.570 0.348 0.000 2.406 237 I HA 0.653 4.823 4.170 0.000 0.000 0.290 237 I C -0.621 175.605 176.117 0.181 0.000 0.999 237 I CA -0.783 60.700 61.300 0.305 0.000 1.124 237 I CB 1.706 39.800 38.000 0.155 0.000 1.289 237 I HN 0.640 nan 8.210 nan 0.000 0.441 238 A N 5.323 128.276 122.820 0.222 0.000 2.343 238 A HA 0.949 5.270 4.320 0.000 0.000 0.308 238 A C -0.919 176.867 177.584 0.338 0.000 1.092 238 A CA -0.457 51.659 52.037 0.132 0.000 0.751 238 A CB 1.613 20.537 19.000 -0.127 0.000 1.203 238 A HN 0.820 nan 8.150 nan 0.000 0.452 239 A N 3.649 126.669 122.820 0.335 0.000 2.520 239 A HA 0.919 5.239 4.320 0.000 0.000 0.298 239 A C -3.174 174.499 177.584 0.147 0.000 1.051 239 A CA -1.573 50.644 52.037 0.299 0.000 0.690 239 A CB 1.496 20.630 19.000 0.224 0.000 1.281 239 A HN 0.578 nan 8.150 nan 0.000 0.402 240 P HA 0.071 nan 4.420 nan 0.000 0.270 240 P C -0.066 177.217 177.300 -0.028 0.000 1.223 240 P CA 0.264 63.174 63.100 -0.316 0.000 0.785 240 P CB 0.673 32.081 31.700 -0.486 0.000 0.923 241 Y N 0.130 120.365 120.300 -0.108 0.000 2.084 241 Y HA -0.117 4.433 4.550 0.000 0.000 0.279 241 Y C 1.846 177.689 175.900 -0.096 0.000 1.119 241 Y CA 1.688 59.753 58.100 -0.059 0.000 1.101 241 Y CB -0.525 37.916 38.460 -0.031 0.000 0.989 241 Y HN 0.324 nan 8.280 nan 0.000 0.484 242 E N 0.824 121.080 120.200 0.094 0.000 2.421 242 E HA 0.082 4.432 4.350 0.000 0.000 0.253 242 E C 0.044 176.601 176.600 -0.072 0.000 1.277 242 E CA -0.032 56.361 56.400 -0.011 0.000 0.968 242 E CB 0.405 30.092 29.700 -0.022 0.000 1.040 242 E HN 0.260 nan 8.360 nan 0.000 0.512 243 K N 0.303 120.650 120.400 -0.088 0.000 2.918 243 K HA 0.057 4.378 4.320 0.000 0.000 0.318 243 K C 0.667 177.216 176.600 -0.085 0.000 0.995 243 K CA -0.689 55.537 56.287 -0.102 0.000 1.187 243 K CB 0.292 32.730 32.500 -0.105 0.000 1.413 243 K HN 0.272 nan 8.250 nan 0.000 0.556 244 E N -1.234 118.925 120.200 -0.069 0.000 4.510 244 E HA -0.253 4.097 4.350 0.000 0.000 0.189 244 E C 0.278 176.828 176.600 -0.083 0.000 1.322 244 E CA 1.600 57.964 56.400 -0.061 0.000 2.269 244 E CB -1.913 27.754 29.700 -0.056 0.000 1.885 244 E HN 0.330 nan 8.360 nan 0.000 0.337 245 V N 4.982 124.822 119.914 -0.125 0.000 2.810 245 V HA -0.114 4.006 4.120 0.000 0.000 0.290 245 V C -1.945 174.068 176.094 -0.135 0.000 1.029 245 V CA 0.561 62.741 62.300 -0.201 0.000 1.219 245 V CB -0.779 30.888 31.823 -0.261 0.000 0.829 245 V HN 0.124 nan 8.190 nan 0.000 0.457 246 P HA 0.039 nan 4.420 nan 0.000 0.266 246 P C 0.592 177.961 177.300 0.116 0.000 1.215 246 P CA -0.312 62.799 63.100 0.020 0.000 0.763 246 P CB 0.653 32.381 31.700 0.047 0.000 0.806 247 L N 3.912 125.217 121.223 0.138 0.000 2.349 247 L HA -0.158 4.182 4.340 0.000 0.000 0.220 247 L C 2.172 179.219 176.870 0.295 0.000 1.130 247 L CA 1.689 56.690 54.840 0.269 0.000 0.791 247 L CB -1.077 41.102 42.059 0.201 0.000 0.918 247 L HN 0.323 nan 8.230 nan 0.000 0.444 248 S N -0.448 115.369 115.700 0.195 0.000 2.365 248 S HA -0.304 4.166 4.470 0.000 0.000 0.221 248 S C 2.282 177.007 174.600 0.209 0.000 1.037 248 S CA 1.746 60.038 58.200 0.153 0.000 1.060 248 S CB -0.621 62.640 63.200 0.103 0.000 0.974 248 S HN 0.693 nan 8.310 nan 0.000 0.427 249 A N 1.545 124.546 122.820 0.301 0.000 1.957 249 A HA -0.233 4.087 4.320 0.000 0.000 0.224 249 A C 2.191 179.930 177.584 0.258 0.000 1.287 249 A CA 2.297 54.558 52.037 0.374 0.000 0.682 249 A CB -1.343 18.105 19.000 0.747 0.000 0.833 249 A HN 0.607 nan 8.150 nan 0.000 0.482 250 L N -0.022 121.328 121.223 0.210 0.000 1.948 250 L HA -0.142 4.198 4.340 0.000 0.000 0.212 250 L C 2.936 179.861 176.870 0.090 0.000 1.074 250 L CA 3.254 58.087 54.840 -0.012 0.000 0.753 250 L CB -1.278 40.580 42.059 -0.335 0.000 0.888 250 L HN 0.643 nan 8.230 nan 0.000 0.432 251 T N -2.644 111.985 114.554 0.126 0.000 2.896 251 T HA -0.216 4.134 4.350 0.000 0.000 0.270 251 T C 1.685 176.419 174.700 0.057 0.000 1.104 251 T CA 1.586 63.761 62.100 0.125 0.000 1.115 251 T CB -0.812 68.147 68.868 0.151 0.000 0.843 251 T HN 0.418 nan 8.240 nan 0.000 0.523 252 N N 1.680 120.411 118.700 0.052 0.000 2.300 252 N HA 0.048 4.788 4.740 0.000 0.000 0.179 252 N C 1.292 176.808 175.510 0.011 0.000 1.016 252 N CA 1.324 54.386 53.050 0.020 0.000 0.876 252 N CB -0.084 38.423 38.487 0.033 0.000 0.979 252 N HN 0.702 nan 8.380 nan 0.000 0.432 253 I N -1.603 118.982 120.570 0.025 0.000 3.856 253 I HA 0.282 4.452 4.170 0.000 0.000 0.330 253 I C -0.142 175.957 176.117 -0.030 0.000 1.546 253 I CA -0.791 60.512 61.300 0.006 0.000 1.132 253 I CB -0.229 37.789 38.000 0.030 0.000 1.157 253 I HN -0.231 nan 8.210 nan 0.000 0.440 254 L N 1.862 123.066 121.223 -0.032 0.000 2.433 254 L HA 0.542 4.882 4.340 0.000 0.000 0.275 254 L C 0.017 176.804 176.870 -0.139 0.000 1.128 254 L CA 0.844 55.623 54.840 -0.100 0.000 0.875 254 L CB 0.015 42.068 42.059 -0.010 0.000 1.171 254 L HN 0.363 nan 8.230 nan 0.000 0.463 255 S N 2.768 118.326 115.700 -0.236 0.000 2.661 255 S HA 0.660 5.130 4.470 0.000 0.000 0.285 255 S C 0.913 175.335 174.600 -0.296 0.000 1.138 255 S CA -0.206 57.869 58.200 -0.207 0.000 0.855 255 S CB 1.649 64.761 63.200 -0.148 0.000 1.136 255 S HN 0.717 nan 8.310 nan 0.000 0.484 256 A N 0.610 123.265 122.820 -0.275 0.000 1.978 256 A HA -0.159 4.161 4.320 0.000 0.000 0.220 256 A C 1.984 179.372 177.584 -0.326 0.000 1.170 256 A CA 2.006 53.815 52.037 -0.381 0.000 0.636 256 A CB -0.677 17.941 19.000 -0.637 0.000 0.810 256 A HN 0.688 nan 8.150 nan 0.000 0.448 257 Q N -0.681 118.999 119.800 -0.200 0.000 1.990 257 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 257 Q C 1.889 177.731 176.000 -0.263 0.000 0.980 257 Q CA 1.631 57.365 55.803 -0.116 0.000 0.832 257 Q CB -0.564 28.141 28.738 -0.054 0.000 0.897 257 Q HN 0.462 nan 8.270 nan 0.000 0.427 258 L N 0.357 121.345 121.223 -0.391 0.000 2.034 258 L HA -0.248 4.093 4.340 0.000 0.000 0.217 258 L C 2.053 178.302 176.870 -1.034 0.000 1.077 258 L CA 1.945 56.386 54.840 -0.665 0.000 0.769 258 L CB -0.726 40.858 42.059 -0.792 0.000 0.890 258 L HN 0.451 nan 8.230 nan 0.000 0.435 259 I N -1.387 118.581 120.570 -1.004 0.000 2.127 259 I HA -0.341 3.829 4.170 0.000 0.000 0.241 259 I C 2.328 178.144 176.117 -0.502 0.000 1.075 259 I CA 1.624 62.350 61.300 -0.958 0.000 1.334 259 I CB -0.676 36.879 38.000 -0.742 0.000 1.040 259 I HN 0.204 nan 8.210 nan 0.000 0.405 260 S N -0.653 114.856 115.700 -0.319 0.000 2.440 260 S HA -0.260 4.210 4.470 0.000 0.000 0.238 260 S C 1.868 176.450 174.600 -0.030 0.000 1.010 260 S CA 1.416 59.543 58.200 -0.121 0.000 0.972 260 S CB -0.503 62.662 63.200 -0.058 0.000 0.774 260 S HN 0.511 nan 8.310 nan 0.000 0.501 261 H N -0.277 118.670 119.070 -0.206 0.000 2.431 261 H HA 0.044 4.601 4.556 0.000 0.000 0.295 261 H C 1.645 176.999 175.328 0.044 0.000 1.038 261 H CA 1.140 57.131 56.048 -0.096 0.000 1.360 261 H CB -0.104 29.567 29.762 -0.151 0.000 1.433 261 H HN 0.322 nan 8.280 nan 0.000 0.536 262 W N 1.490 122.701 121.300 -0.148 0.000 2.354 262 W HA -0.060 4.600 4.660 0.000 0.000 0.315 262 W C 2.294 178.791 176.519 -0.037 0.000 1.206 262 W CA 1.055 58.309 57.345 -0.151 0.000 1.290 262 W CB -0.966 28.419 29.460 -0.126 0.000 1.152 262 W HN 0.225 nan 8.180 nan 0.000 0.489 263 K N 0.488 121.060 120.400 0.287 0.000 2.442 263 K HA -0.090 4.230 4.320 0.000 0.000 0.199 263 K C 1.991 178.666 176.600 0.124 0.000 1.044 263 K CA 1.219 57.669 56.287 0.272 0.000 0.941 263 K CB -0.424 32.239 32.500 0.272 0.000 0.759 263 K HN 0.083 nan 8.250 nan 0.000 0.472 264 G N 1.757 110.585 108.800 0.047 0.000 2.556 264 G HA2 -0.244 3.716 3.960 0.000 0.000 0.215 264 G HA3 -0.244 3.716 3.960 0.000 0.000 0.215 264 G C 0.774 175.670 174.900 -0.008 0.000 1.258 264 G CA 0.757 45.855 45.100 -0.004 0.000 0.811 264 G HN 0.509 nan 8.290 nan 0.000 0.557 265 N N 0.679 119.348 118.700 -0.053 0.000 2.455 265 N HA 0.179 4.919 4.740 0.000 0.000 0.258 265 N C 0.254 175.763 175.510 -0.002 0.000 1.158 265 N CA -0.083 52.955 53.050 -0.019 0.000 0.893 265 N CB 0.248 38.717 38.487 -0.029 0.000 1.173 265 N HN 0.299 nan 8.380 nan 0.000 0.503 266 M N 0.853 120.466 119.600 0.022 0.000 2.227 266 M HA 0.229 4.709 4.480 0.000 0.000 0.316 266 M C 0.063 176.387 176.300 0.040 0.000 1.144 266 M CA 0.055 55.367 55.300 0.020 0.000 1.121 266 M CB 1.345 33.981 32.600 0.060 0.000 1.440 266 M HN 0.160 nan 8.290 nan 0.000 0.473 267 T N -0.861 113.729 114.554 0.060 0.000 3.172 267 T HA 0.438 4.788 4.350 0.000 0.000 0.320 267 T C -0.661 174.101 174.700 0.102 0.000 1.085 267 T CA -1.143 61.002 62.100 0.075 0.000 1.052 267 T CB 0.940 69.855 68.868 0.078 0.000 1.107 267 T HN 0.643 nan 8.240 nan 0.000 0.458 268 R N 2.299 122.838 120.500 0.066 0.000 2.480 268 R HA 0.419 4.759 4.340 0.000 0.000 0.303 268 R C -0.404 175.934 176.300 0.065 0.000 0.985 268 R CA 0.112 56.243 56.100 0.052 0.000 1.051 268 R CB -0.063 30.238 30.300 0.001 0.000 0.935 268 R HN 0.560 nan 8.270 nan 0.000 0.410 269 L N 5.149 126.429 121.223 0.094 0.000 2.422 269 L HA 0.476 4.816 4.340 0.000 0.000 0.264 269 L C -2.262 174.647 176.870 0.064 0.000 0.984 269 L CA -2.689 52.197 54.840 0.077 0.000 0.819 269 L CB 2.722 44.845 42.059 0.107 0.000 1.330 269 L HN 0.430 nan 8.230 nan 0.000 0.410 270 P HA 0.241 nan 4.420 nan 0.000 0.271 270 P C -1.147 176.171 177.300 0.031 0.000 1.233 270 P CA -0.072 63.041 63.100 0.022 0.000 0.764 270 P CB 0.843 32.540 31.700 -0.004 0.000 0.825 271 R N 1.764 122.315 120.500 0.085 0.000 2.690 271 R HA 0.413 4.753 4.340 0.000 0.000 0.269 271 R C -1.115 175.212 176.300 0.045 0.000 1.037 271 R CA -1.216 54.896 56.100 0.020 0.000 0.877 271 R CB 1.199 31.453 30.300 -0.076 0.000 1.255 271 R HN 0.308 nan 8.270 nan 0.000 0.467 272 L N 2.815 124.011 121.223 -0.045 0.000 2.268 272 L HA 0.368 4.708 4.340 0.000 0.000 0.289 272 L C -1.154 175.629 176.870 -0.145 0.000 1.064 272 L CA -0.391 54.420 54.840 -0.049 0.000 0.824 272 L CB 0.725 42.761 42.059 -0.038 0.000 1.202 272 L HN 0.482 nan 8.230 nan 0.000 0.433 273 L N 6.690 127.774 121.223 -0.231 0.000 2.265 273 L HA 0.527 4.867 4.340 0.000 0.000 0.288 273 L C -0.857 175.947 176.870 -0.111 0.000 1.058 273 L CA 0.045 54.670 54.840 -0.358 0.000 0.809 273 L CB 1.390 42.935 42.059 -0.856 0.000 1.179 273 L HN 0.406 nan 8.230 nan 0.000 0.429 274 V N 6.969 126.837 119.914 -0.077 0.000 2.334 274 V HA 0.442 4.562 4.120 0.000 0.000 0.281 274 V C -0.599 175.485 176.094 -0.017 0.000 1.016 274 V CA -0.493 61.824 62.300 0.029 0.000 0.832 274 V CB 1.262 33.130 31.823 0.075 0.000 0.999 274 V HN 0.657 nan 8.190 nan 0.000 0.439 275 L N 9.135 130.348 121.223 -0.017 0.000 2.372 275 L HA 0.719 5.059 4.340 0.000 0.000 0.274 275 L C -2.489 174.347 176.870 -0.057 0.000 0.988 275 L CA -1.914 52.865 54.840 -0.102 0.000 0.833 275 L CB 2.454 44.413 42.059 -0.167 0.000 1.236 275 L HN 0.343 nan 8.230 nan 0.000 0.410 276 P HA 0.039 nan 4.420 nan 0.000 0.265 276 P C -1.015 176.379 177.300 0.157 0.000 1.193 276 P CA -0.004 63.151 63.100 0.091 0.000 0.765 276 P CB 0.587 32.349 31.700 0.104 0.000 0.823 277 K N 2.791 123.233 120.400 0.071 0.000 2.258 277 K HA 0.450 4.770 4.320 0.000 0.000 0.264 277 K C 0.061 176.765 176.600 0.173 0.000 1.007 277 K CA 0.096 56.391 56.287 0.012 0.000 0.941 277 K CB 0.156 32.632 32.500 -0.041 0.000 0.966 277 K HN 0.527 nan 8.250 nan 0.000 0.480 278 F N -2.647 117.284 119.950 -0.032 0.000 2.652 278 F HA 0.335 4.862 4.527 0.000 0.000 0.320 278 F C -1.315 174.459 175.800 -0.044 0.000 1.115 278 F CA -0.876 57.108 58.000 -0.027 0.000 1.053 278 F CB 1.239 40.243 39.000 0.008 0.000 1.297 278 F HN 0.192 nan 8.300 nan 0.000 0.471 279 S N 4.882 120.648 115.700 0.110 0.000 2.733 279 S HA 0.753 5.223 4.470 0.000 0.000 0.307 279 S C -0.717 173.963 174.600 0.135 0.000 1.127 279 S CA -0.607 57.616 58.200 0.038 0.000 1.097 279 S CB 0.814 64.010 63.200 -0.005 0.000 1.003 279 S HN 0.625 nan 8.310 nan 0.000 0.477 280 L N 2.373 123.708 121.223 0.187 0.000 2.313 280 L HA 0.708 5.048 4.340 0.000 0.000 0.268 280 L C 0.078 177.044 176.870 0.160 0.000 1.010 280 L CA -0.734 54.220 54.840 0.189 0.000 0.814 280 L CB 1.518 43.731 42.059 0.256 0.000 1.304 280 L HN 0.507 nan 8.230 nan 0.000 0.441 281 E N 0.290 120.581 120.200 0.152 0.000 2.292 281 E HA 0.578 4.928 4.350 0.000 0.000 0.272 281 E C -1.758 174.936 176.600 0.157 0.000 0.881 281 E CA -0.396 56.093 56.400 0.148 0.000 0.754 281 E CB 2.450 32.224 29.700 0.123 0.000 1.201 281 E HN 0.609 nan 8.360 nan 0.000 0.425 282 T N 2.824 117.481 114.554 0.171 0.000 2.956 282 T HA 0.341 4.691 4.350 0.000 0.000 0.312 282 T C -1.509 173.291 174.700 0.166 0.000 1.151 282 T CA -0.752 61.455 62.100 0.178 0.000 1.024 282 T CB 1.623 70.629 68.868 0.231 0.000 1.140 282 T HN 0.519 nan 8.240 nan 0.000 0.473 283 E N 2.072 122.363 120.200 0.151 0.000 2.302 283 E HA 0.554 4.904 4.350 0.000 0.000 0.263 283 E C -1.079 175.603 176.600 0.137 0.000 0.897 283 E CA -0.791 55.690 56.400 0.136 0.000 0.809 283 E CB 1.256 31.027 29.700 0.119 0.000 1.270 283 E HN 0.524 nan 8.360 nan 0.000 0.410 284 V N 1.436 121.442 119.914 0.154 0.000 2.581 284 V HA 0.538 4.658 4.120 0.000 0.000 0.303 284 V C -0.429 175.741 176.094 0.126 0.000 1.041 284 V CA -0.766 61.629 62.300 0.159 0.000 0.907 284 V CB 1.776 33.753 31.823 0.256 0.000 0.994 284 V HN 0.736 nan 8.190 nan 0.000 0.442 285 D N 3.463 123.918 120.400 0.091 0.000 2.494 285 D HA 0.325 4.965 4.640 0.000 0.000 0.217 285 D C 1.074 177.410 176.300 0.060 0.000 1.153 285 D CA -0.218 53.824 54.000 0.069 0.000 0.954 285 D CB 0.319 41.139 40.800 0.034 0.000 1.034 285 D HN 0.634 nan 8.370 nan 0.000 0.518 286 L N 2.255 123.546 121.223 0.114 0.000 2.683 286 L HA -0.201 4.139 4.340 0.000 0.000 0.236 286 L C 2.570 179.450 176.870 0.016 0.000 1.179 286 L CA 0.445 55.363 54.840 0.131 0.000 0.822 286 L CB -0.516 41.672 42.059 0.215 0.000 0.952 286 L HN 0.425 nan 8.230 nan 0.000 0.455 287 R N 1.059 121.482 120.500 -0.129 0.000 2.088 287 R HA -0.203 4.137 4.340 0.000 0.000 0.232 287 R C 2.203 178.188 176.300 -0.525 0.000 1.136 287 R CA 1.940 57.682 56.100 -0.597 0.000 0.926 287 R CB -0.267 29.752 30.300 -0.469 0.000 0.837 287 R HN 0.346 nan 8.270 nan 0.000 0.429 288 K N -0.452 119.787 120.400 -0.268 0.000 2.025 288 K HA -0.070 4.250 4.320 0.000 0.000 0.207 288 K C -0.765 175.757 176.600 -0.130 0.000 1.049 288 K CA 1.208 57.382 56.287 -0.189 0.000 0.933 288 K CB -0.804 31.625 32.500 -0.119 0.000 0.714 288 K HN 0.159 nan 8.250 nan 0.000 0.438 289 P HA -0.165 nan 4.420 nan 0.000 0.216 289 P C 1.090 178.376 177.300 -0.025 0.000 1.150 289 P CA 1.242 64.306 63.100 -0.060 0.000 0.843 289 P CB 0.076 31.757 31.700 -0.031 0.000 0.787 290 L N -1.002 120.230 121.223 0.015 0.000 2.179 290 L HA -0.095 4.245 4.340 0.000 0.000 0.208 290 L C 2.321 179.263 176.870 0.119 0.000 1.096 290 L CA 1.258 56.179 54.840 0.135 0.000 0.779 290 L CB -0.724 41.532 42.059 0.328 0.000 0.922 290 L HN 0.006 nan 8.230 nan 0.000 0.443 291 E N 0.417 120.617 120.200 0.001 0.000 2.106 291 E HA -0.187 4.163 4.350 0.000 0.000 0.192 291 E C 1.723 178.333 176.600 0.018 0.000 0.984 291 E CA 1.101 57.511 56.400 0.015 0.000 0.806 291 E CB -0.126 29.525 29.700 -0.081 0.000 0.750 291 E HN 0.565 nan 8.360 nan 0.000 0.458 292 N N 0.399 119.091 118.700 -0.013 0.000 2.364 292 N HA -0.111 4.629 4.740 0.000 0.000 0.183 292 N C 1.165 176.679 175.510 0.006 0.000 1.022 292 N CA 0.418 53.459 53.050 -0.015 0.000 0.883 292 N CB 0.071 38.533 38.487 -0.043 0.000 0.965 292 N HN 0.113 nan 8.380 nan 0.000 0.438 293 L N -0.515 120.729 121.223 0.034 0.000 2.653 293 L HA 0.243 4.583 4.340 0.000 0.000 0.231 293 L C 1.423 178.349 176.870 0.094 0.000 1.153 293 L CA -0.084 54.793 54.840 0.063 0.000 0.933 293 L CB 0.232 42.341 42.059 0.083 0.000 1.175 293 L HN 0.225 nan 8.230 nan 0.000 0.473 294 G N 0.174 109.021 108.800 0.079 0.000 2.345 294 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 294 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 294 G C 0.463 175.424 174.900 0.102 0.000 1.058 294 G CA -0.280 44.867 45.100 0.078 0.000 0.632 294 G HN 0.232 nan 8.290 nan 0.000 0.508 295 M N 3.345 123.033 119.600 0.146 0.000 3.102 295 M HA 0.310 4.790 4.480 0.000 0.000 0.269 295 M C 1.670 178.136 176.300 0.277 0.000 1.551 295 M CA 1.181 56.589 55.300 0.179 0.000 1.629 295 M CB 0.118 32.851 32.600 0.221 0.000 1.324 295 M HN 0.484 nan 8.290 nan 0.000 0.509 296 T N -3.809 110.868 114.554 0.204 0.000 2.978 296 T HA 0.069 4.419 4.350 0.000 0.000 0.248 296 T C 1.099 175.941 174.700 0.236 0.000 1.018 296 T CA 0.020 62.272 62.100 0.254 0.000 1.026 296 T CB 0.131 69.079 68.868 0.133 0.000 1.032 296 T HN 0.340 nan 8.240 nan 0.000 0.485 297 D N 2.825 123.297 120.400 0.121 0.000 2.123 297 D HA -0.113 4.527 4.640 0.000 0.000 0.196 297 D C 2.180 178.518 176.300 0.063 0.000 0.992 297 D CA 1.752 55.794 54.000 0.070 0.000 0.833 297 D CB -0.545 40.262 40.800 0.011 0.000 0.954 297 D HN 0.658 nan 8.370 nan 0.000 0.455 298 M N -1.358 118.241 119.600 -0.001 0.000 2.195 298 M HA -0.148 4.332 4.480 0.000 0.000 0.260 298 M C 1.259 177.485 176.300 -0.123 0.000 1.066 298 M CA 1.608 56.869 55.300 -0.066 0.000 1.089 298 M CB -0.708 31.726 32.600 -0.277 0.000 1.377 298 M HN -0.096 nan 8.290 nan 0.000 0.411 299 F N -0.007 120.018 119.950 0.125 0.000 2.776 299 F HA 0.326 4.854 4.527 0.000 0.000 0.300 299 F C 0.944 176.713 175.800 -0.052 0.000 1.116 299 F CA -0.384 57.665 58.000 0.081 0.000 1.375 299 F CB -0.015 39.017 39.000 0.053 0.000 1.109 299 F HN 0.026 nan 8.300 nan 0.000 0.585 300 R N 1.454 121.998 120.500 0.074 0.000 2.221 300 R HA 0.130 4.470 4.340 0.000 0.000 0.327 300 R C 1.296 177.445 176.300 -0.252 0.000 1.033 300 R CA -0.081 55.977 56.100 -0.070 0.000 0.887 300 R CB 0.616 30.931 30.300 0.025 0.000 1.057 300 R HN 0.224 nan 8.270 nan 0.000 0.455 301 Q N 2.960 122.420 119.800 -0.566 0.000 2.112 301 Q HA -0.180 4.160 4.340 0.000 0.000 0.206 301 Q C -0.133 175.538 176.000 -0.548 0.000 0.987 301 Q CA 1.830 57.166 55.803 -0.778 0.000 0.858 301 Q CB 0.042 28.241 28.738 -0.898 0.000 0.905 301 Q HN 0.667 nan 8.270 nan 0.000 0.420 302 F N -0.626 119.292 119.950 -0.054 0.000 2.750 302 F HA 0.282 4.809 4.527 0.000 0.000 0.297 302 F C 1.021 176.822 175.800 0.002 0.000 1.138 302 F CA -0.179 57.817 58.000 -0.006 0.000 1.346 302 F CB 0.669 39.664 39.000 -0.008 0.000 0.965 302 F HN 0.067 nan 8.300 nan 0.000 0.514 303 Q N -0.196 119.667 119.800 0.105 0.000 2.237 303 Q HA 0.362 4.703 4.340 0.000 0.000 0.254 303 Q C 0.905 176.936 176.000 0.051 0.000 0.771 303 Q CA -0.084 55.766 55.803 0.079 0.000 0.958 303 Q CB 0.713 29.491 28.738 0.067 0.000 1.202 303 Q HN 0.213 nan 8.270 nan 0.000 0.492 304 A N 1.866 124.724 122.820 0.063 0.000 2.520 304 A HA 0.095 4.415 4.320 0.000 0.000 0.235 304 A C -0.273 177.356 177.584 0.076 0.000 1.065 304 A CA 0.515 52.614 52.037 0.102 0.000 0.764 304 A CB 0.195 19.363 19.000 0.280 0.000 1.002 304 A HN 0.144 nan 8.150 nan 0.000 0.502 305 D N 1.819 122.167 120.400 -0.087 0.000 2.389 305 D HA 0.407 5.047 4.640 0.000 0.000 0.256 305 D C -1.321 174.778 176.300 -0.334 0.000 1.239 305 D CA -0.200 53.728 54.000 -0.119 0.000 0.925 305 D CB 0.260 40.983 40.800 -0.128 0.000 1.145 305 D HN 0.283 nan 8.370 nan 0.000 0.542 306 F N 1.569 121.478 119.950 -0.069 0.000 2.850 306 F HA 0.083 4.610 4.527 0.000 0.000 0.306 306 F C 2.305 178.037 175.800 -0.113 0.000 1.162 306 F CA -0.263 57.675 58.000 -0.104 0.000 1.327 306 F CB 0.622 39.536 39.000 -0.143 0.000 0.953 306 F HN 0.252 nan 8.300 nan 0.000 0.507 307 T N -3.950 110.612 114.554 0.014 0.000 2.897 307 T HA -0.177 4.173 4.350 0.000 0.000 0.271 307 T C 2.006 176.701 174.700 -0.008 0.000 1.084 307 T CA 1.762 63.864 62.100 0.002 0.000 1.123 307 T CB -0.311 68.557 68.868 0.001 0.000 0.865 307 T HN 0.169 nan 8.240 nan 0.000 0.496 308 S N 0.636 116.330 115.700 -0.009 0.000 2.515 308 S HA 0.198 4.668 4.470 0.000 0.000 0.231 308 S C 1.538 176.100 174.600 -0.065 0.000 0.987 308 S CA 0.616 58.844 58.200 0.047 0.000 0.936 308 S CB -0.168 63.097 63.200 0.108 0.000 0.766 308 S HN 0.485 nan 8.310 nan 0.000 0.528 309 L N -0.032 121.027 121.223 -0.273 0.000 2.433 309 L HA 0.443 4.783 4.340 0.000 0.000 0.200 309 L C 0.436 177.071 176.870 -0.392 0.000 1.059 309 L CA 0.856 55.254 54.840 -0.736 0.000 0.835 309 L CB 0.467 42.128 42.059 -0.663 0.000 1.076 309 L HN 0.085 nan 8.230 nan 0.000 0.481 310 S N 0.101 115.689 115.700 -0.187 0.000 2.423 310 S HA 0.250 4.720 4.470 0.000 0.000 0.213 310 S C -0.702 173.870 174.600 -0.047 0.000 1.131 310 S CA -0.391 57.742 58.200 -0.111 0.000 1.155 310 S CB -0.132 62.993 63.200 -0.125 0.000 1.202 310 S HN 0.459 nan 8.310 nan 0.000 0.441 311 D N 2.267 122.652 120.400 -0.025 0.000 2.396 311 D HA 0.047 4.687 4.640 0.000 0.000 0.255 311 D C 0.753 177.053 176.300 0.000 0.000 1.224 311 D CA 0.140 54.139 54.000 -0.002 0.000 0.894 311 D CB 0.172 40.976 40.800 0.007 0.000 0.939 311 D HN 0.631 nan 8.370 nan 0.000 0.506 312 Q N 0.235 120.028 119.800 -0.011 0.000 3.072 312 Q HA 0.078 4.418 4.340 0.000 0.000 0.231 312 Q C 0.161 176.160 176.000 -0.003 0.000 1.167 312 Q CA -0.689 55.110 55.803 -0.007 0.000 0.318 312 Q CB 0.234 28.962 28.738 -0.017 0.000 5.789 312 Q HN 0.230 nan 8.270 nan 0.000 0.322 313 E N 1.155 121.348 120.200 -0.012 0.000 2.467 313 E HA -0.004 4.346 4.350 0.000 0.000 0.264 313 E C -2.192 174.401 176.600 -0.012 0.000 1.020 313 E CA -1.260 55.134 56.400 -0.010 0.000 0.945 313 E CB 0.438 30.122 29.700 -0.026 0.000 0.942 313 E HN 0.202 nan 8.360 nan 0.000 0.449 314 P HA 0.051 nan 4.420 nan 0.000 0.270 314 P C -0.826 176.455 177.300 -0.032 0.000 1.242 314 P CA 0.435 63.537 63.100 0.003 0.000 0.768 314 P CB 0.357 32.057 31.700 0.001 0.000 0.820 315 L N 4.550 125.763 121.223 -0.017 0.000 2.376 315 L HA 0.727 5.067 4.340 0.000 0.000 0.267 315 L C 0.174 177.032 176.870 -0.020 0.000 1.035 315 L CA -0.735 54.027 54.840 -0.130 0.000 0.800 315 L CB 1.248 43.183 42.059 -0.206 0.000 1.290 315 L HN 0.643 nan 8.230 nan 0.000 0.462 316 H N -2.772 116.110 119.070 -0.312 0.000 2.967 316 H HA 0.180 4.736 4.556 0.000 0.000 0.279 316 H C -1.503 173.587 175.328 -0.396 0.000 1.227 316 H CA -0.988 54.908 56.048 -0.254 0.000 1.549 316 H CB -0.061 29.644 29.762 -0.095 0.000 1.984 316 H HN 0.119 nan 8.280 nan 0.000 0.505 317 V N 2.488 122.225 119.914 -0.294 0.000 2.420 317 V HA 0.252 4.372 4.120 0.000 0.000 0.274 317 V C 1.475 177.541 176.094 -0.046 0.000 1.003 317 V CA 0.963 63.086 62.300 -0.296 0.000 1.092 317 V CB -0.267 31.332 31.823 -0.373 0.000 1.002 317 V HN 1.012 nan 8.190 nan 0.000 0.473 318 A N 5.611 128.325 122.820 -0.177 0.000 2.218 318 A HA 0.465 4.785 4.320 0.000 0.000 0.209 318 A C 0.345 177.920 177.584 -0.015 0.000 1.168 318 A CA 0.327 52.316 52.037 -0.080 0.000 0.804 318 A CB 0.060 18.889 19.000 -0.285 0.000 0.834 318 A HN 0.808 nan 8.150 nan 0.000 0.482 319 L N -1.851 119.373 121.223 0.002 0.000 3.055 319 L HA 0.564 4.904 4.340 0.000 0.000 0.261 319 L C -1.295 175.618 176.870 0.070 0.000 0.939 319 L CA 0.055 54.921 54.840 0.043 0.000 1.091 319 L CB 0.606 42.640 42.059 -0.041 0.000 1.690 319 L HN 0.286 nan 8.230 nan 0.000 0.520 320 A N 6.291 129.211 122.820 0.167 0.000 2.353 320 A HA 0.921 5.241 4.320 0.000 0.000 0.299 320 A C -1.276 176.399 177.584 0.153 0.000 1.089 320 A CA -0.349 51.788 52.037 0.166 0.000 0.736 320 A CB 1.062 20.216 19.000 0.256 0.000 1.195 320 A HN 1.237 nan 8.150 nan 0.000 0.447 321 L N -0.605 120.684 121.223 0.109 0.000 2.479 321 L HA 0.832 5.173 4.340 0.000 0.000 0.255 321 L C -0.949 175.970 176.870 0.083 0.000 1.026 321 L CA -0.897 54.004 54.840 0.101 0.000 0.842 321 L CB 2.053 44.162 42.059 0.083 0.000 1.444 321 L HN 0.712 nan 8.230 nan 0.000 0.409 322 Q N 1.545 121.390 119.800 0.074 0.000 2.347 322 Q HA 0.525 4.865 4.340 0.000 0.000 0.271 322 Q C -1.790 174.248 176.000 0.065 0.000 1.064 322 Q CA -0.788 55.036 55.803 0.035 0.000 0.800 322 Q CB 2.958 31.645 28.738 -0.085 0.000 1.304 322 Q HN 0.715 nan 8.270 nan 0.000 0.438 323 K N 2.670 123.122 120.400 0.087 0.000 2.397 323 K HA 0.617 4.937 4.320 0.000 0.000 0.253 323 K C -1.888 174.801 176.600 0.149 0.000 0.932 323 K CA -0.632 55.728 56.287 0.122 0.000 0.795 323 K CB 1.987 34.564 32.500 0.129 0.000 1.159 323 K HN 0.439 nan 8.250 nan 0.000 0.424 324 V N 4.151 124.167 119.914 0.170 0.000 2.569 324 V HA 0.338 4.458 4.120 0.000 0.000 0.301 324 V C -1.022 175.181 176.094 0.181 0.000 1.044 324 V CA -0.949 61.474 62.300 0.205 0.000 0.874 324 V CB 1.789 33.764 31.823 0.253 0.000 1.002 324 V HN 0.723 nan 8.190 nan 0.000 0.424 325 K N 4.153 124.656 120.400 0.173 0.000 2.263 325 K HA 0.645 4.966 4.320 0.000 0.000 0.272 325 K C -1.004 175.576 176.600 -0.033 0.000 1.033 325 K CA -0.602 55.775 56.287 0.150 0.000 0.884 325 K CB 2.008 34.684 32.500 0.293 0.000 1.107 325 K HN 0.532 nan 8.250 nan 0.000 0.460 326 I N 2.166 122.711 120.570 -0.042 0.000 2.474 326 I HA 0.218 4.388 4.170 0.000 0.000 0.294 326 I C -1.094 174.891 176.117 -0.220 0.000 1.005 326 I CA -0.310 60.880 61.300 -0.183 0.000 1.113 326 I CB 1.510 39.502 38.000 -0.013 0.000 1.289 326 I HN 0.553 nan 8.210 nan 0.000 0.436 327 E N 5.867 125.822 120.200 -0.410 0.000 2.246 327 E HA 0.557 4.907 4.350 0.000 0.000 0.266 327 E C -1.573 174.690 176.600 -0.562 0.000 0.880 327 E CA -0.782 55.364 56.400 -0.424 0.000 0.762 327 E CB 2.598 32.106 29.700 -0.319 0.000 1.180 327 E HN 0.324 nan 8.360 nan 0.000 0.416 328 V N 4.830 124.340 119.914 -0.674 0.000 2.443 328 V HA 0.340 4.460 4.120 0.000 0.000 0.293 328 V C -0.046 175.816 176.094 -0.386 0.000 1.021 328 V CA -0.671 61.252 62.300 -0.628 0.000 0.848 328 V CB 1.058 32.206 31.823 -1.124 0.000 0.998 328 V HN 0.711 nan 8.190 nan 0.000 0.424 329 N N 3.107 121.689 118.700 -0.196 0.000 3.439 329 N HA 0.344 5.084 4.740 0.000 0.000 0.343 329 N C 0.404 175.940 175.510 0.042 0.000 1.597 329 N CA -0.614 52.372 53.050 -0.106 0.000 0.733 329 N CB 1.583 40.010 38.487 -0.101 0.000 1.973 329 N HN 0.202 nan 8.380 nan 0.000 0.646 330 E N -0.147 120.082 120.200 0.048 0.000 2.204 330 E HA 0.009 4.359 4.350 0.000 0.000 0.194 330 E C -0.330 176.556 176.600 0.476 0.000 0.989 330 E CA 1.116 57.624 56.400 0.179 0.000 0.824 330 E CB -0.100 29.683 29.700 0.140 0.000 0.756 330 E HN 0.645 nan 8.360 nan 0.000 0.477 331 S N -1.293 114.591 115.700 0.307 0.000 2.194 331 S HA 0.437 4.907 4.470 0.000 0.000 0.249 331 S C 0.328 174.922 174.600 -0.009 0.000 0.777 331 S CA -0.688 57.676 58.200 0.274 0.000 0.947 331 S CB -0.204 63.168 63.200 0.287 0.000 1.282 331 S HN 0.373 nan 8.310 nan 0.000 0.383 349 P HA 0.219 nan 4.420 nan 0.000 0.278 349 P C 0.158 177.435 177.300 -0.038 0.000 1.268 349 P CA -0.297 62.788 63.100 -0.025 0.000 0.813 349 P CB 0.332 32.020 31.700 -0.021 0.000 1.180 350 E N 0.502 120.671 120.200 -0.052 0.000 2.492 350 E HA -0.044 4.306 4.350 0.000 0.000 0.266 350 E C 0.229 176.774 176.600 -0.093 0.000 1.187 350 E CA 0.674 57.028 56.400 -0.077 0.000 1.036 350 E CB -0.023 29.614 29.700 -0.104 0.000 0.994 350 E HN 0.567 nan 8.360 nan 0.000 0.468 351 E N -0.058 120.076 120.200 -0.111 0.000 2.317 351 E HA 0.614 4.964 4.350 0.000 0.000 0.270 351 E C -0.699 175.802 176.600 -0.166 0.000 0.885 351 E CA -0.684 55.644 56.400 -0.120 0.000 0.760 351 E CB 1.282 30.936 29.700 -0.076 0.000 1.227 351 E HN 0.264 nan 8.360 nan 0.000 0.434 352 I N 2.920 123.371 120.570 -0.199 0.000 2.382 352 I HA 0.287 4.457 4.170 0.000 0.000 0.286 352 I C -0.749 175.268 176.117 -0.167 0.000 1.002 352 I CA -1.116 60.050 61.300 -0.222 0.000 1.135 352 I CB 1.249 39.075 38.000 -0.289 0.000 1.288 352 I HN 0.483 nan 8.210 nan 0.000 0.448 353 I N 7.326 127.816 120.570 -0.134 0.000 2.328 353 I HA 0.257 4.427 4.170 0.000 0.000 0.287 353 I C 0.171 176.249 176.117 -0.066 0.000 1.012 353 I CA -0.574 60.679 61.300 -0.078 0.000 1.195 353 I CB 1.351 39.318 38.000 -0.054 0.000 1.350 353 I HN 0.380 nan 8.210 nan 0.000 0.464 354 I N 6.694 127.238 120.570 -0.045 0.000 2.213 354 I HA 0.059 4.229 4.170 0.000 0.000 0.295 354 I C 0.733 176.956 176.117 0.177 0.000 1.172 354 I CA 0.075 61.375 61.300 -0.001 0.000 1.443 354 I CB -0.778 37.121 38.000 -0.168 0.000 1.491 354 I HN 0.509 nan 8.210 nan 0.000 0.652 355 D N 3.276 123.750 120.400 0.124 0.000 2.402 355 D HA 0.090 4.730 4.640 0.000 0.000 0.216 355 D C 0.665 176.762 176.300 -0.339 0.000 1.128 355 D CA -0.397 53.697 54.000 0.156 0.000 0.833 355 D CB 0.396 41.251 40.800 0.092 0.000 0.971 355 D HN 0.489 nan 8.370 nan 0.000 0.503 356 R N -1.135 119.260 120.500 -0.176 0.000 2.919 356 R HA 0.689 5.029 4.340 0.000 0.000 0.260 356 R C -3.020 173.341 176.300 0.103 0.000 1.067 356 R CA -2.248 53.638 56.100 -0.356 0.000 1.003 356 R CB 0.141 30.336 30.300 -0.175 0.000 1.192 356 R HN -0.283 nan 8.270 nan 0.000 0.488 357 P HA -0.016 nan 4.420 nan 0.000 0.265 357 P C -1.214 176.251 177.300 0.274 0.000 1.193 357 P CA 0.233 63.506 63.100 0.289 0.000 0.765 357 P CB 0.178 31.961 31.700 0.140 0.000 0.823 358 F N 2.145 122.231 119.950 0.226 0.000 2.679 358 F HA 0.835 5.362 4.527 0.000 0.000 0.341 358 F C -1.458 174.475 175.800 0.222 0.000 1.095 358 F CA -1.575 56.550 58.000 0.208 0.000 1.004 358 F CB 0.631 39.750 39.000 0.198 0.000 1.388 358 F HN 0.043 nan 8.300 nan 0.000 0.505 359 L N 1.941 123.461 121.223 0.495 0.000 2.386 359 L HA 0.707 5.047 4.340 0.000 0.000 0.271 359 L C -1.272 175.918 176.870 0.532 0.000 0.993 359 L CA -1.010 54.041 54.840 0.352 0.000 0.819 359 L CB 1.768 44.003 42.059 0.294 0.000 1.294 359 L HN 0.711 nan 8.230 nan 0.000 0.414 360 F N 3.522 123.683 119.950 0.352 0.000 2.577 360 F HA 0.931 5.458 4.527 0.000 0.000 0.318 360 F C -1.443 174.554 175.800 0.328 0.000 1.065 360 F CA -1.185 57.065 58.000 0.417 0.000 0.929 360 F CB 1.708 41.034 39.000 0.544 0.000 1.237 360 F HN 0.158 nan 8.300 nan 0.000 0.468 361 V N 3.042 123.303 119.914 0.580 0.000 2.711 361 V HA 0.423 4.543 4.120 0.000 0.000 0.304 361 V C -1.177 175.258 176.094 0.567 0.000 1.097 361 V CA -0.765 61.773 62.300 0.397 0.000 0.906 361 V CB 1.929 33.896 31.823 0.240 0.000 1.015 361 V HN 0.826 nan 8.190 nan 0.000 0.427 362 V N 6.566 126.769 119.914 0.482 0.000 2.347 362 V HA 0.600 4.720 4.120 0.000 0.000 0.280 362 V C 0.190 176.427 176.094 0.237 0.000 1.021 362 V CA -0.529 62.026 62.300 0.424 0.000 0.847 362 V CB 1.495 33.508 31.823 0.317 0.000 0.990 362 V HN 0.951 nan 8.190 nan 0.000 0.444 363 R N 2.604 123.260 120.500 0.261 0.000 2.803 363 R HA 0.562 4.903 4.340 0.000 0.000 0.276 363 R C -0.739 175.631 176.300 0.116 0.000 0.978 363 R CA -0.943 55.233 56.100 0.128 0.000 0.939 363 R CB 1.529 31.878 30.300 0.081 0.000 1.179 363 R HN 0.677 nan 8.270 nan 0.000 0.472 364 H N 2.021 121.054 119.070 -0.062 0.000 3.008 364 H HA 0.191 4.747 4.556 0.000 0.000 0.268 364 H C 0.197 175.477 175.328 -0.079 0.000 1.323 364 H CA 0.123 56.101 56.048 -0.116 0.000 1.401 364 H CB -0.031 29.631 29.762 -0.167 0.000 1.556 364 H HN 0.812 nan 8.280 nan 0.000 0.502 365 N N 4.123 122.673 118.700 -0.251 0.000 2.133 365 N HA -0.202 4.538 4.740 0.000 0.000 0.193 365 N C -0.888 174.475 175.510 -0.246 0.000 1.012 365 N CA 1.454 54.398 53.050 -0.176 0.000 0.871 365 N CB -0.308 38.116 38.487 -0.104 0.000 1.011 365 N HN 0.556 nan 8.380 nan 0.000 0.435 366 P HA -0.146 nan 4.420 nan 0.000 0.213 366 P C 1.648 178.890 177.300 -0.097 0.000 1.170 366 P CA 1.700 64.624 63.100 -0.293 0.000 0.898 366 P CB -0.149 31.309 31.700 -0.403 0.000 0.787 367 T N -5.660 108.901 114.554 0.013 0.000 3.009 367 T HA 0.266 4.616 4.350 0.000 0.000 0.258 367 T C 1.656 176.379 174.700 0.038 0.000 1.063 367 T CA 1.020 63.175 62.100 0.091 0.000 1.139 367 T CB -0.619 68.364 68.868 0.191 0.000 0.890 367 T HN 0.262 nan 8.240 nan 0.000 0.471 368 G N 0.753 109.559 108.800 0.011 0.000 2.195 368 G HA2 -0.210 3.750 3.960 0.000 0.000 0.224 368 G HA3 -0.210 3.750 3.960 0.000 0.000 0.224 368 G C 0.262 175.134 174.900 -0.046 0.000 0.990 368 G CA -0.026 45.059 45.100 -0.024 0.000 0.639 368 G HN 0.737 nan 8.290 nan 0.000 0.514 369 T N 1.199 115.748 114.554 -0.008 0.000 2.891 369 T HA 0.290 4.641 4.350 0.000 0.000 0.296 369 T C 0.892 175.555 174.700 -0.062 0.000 1.025 369 T CA 0.678 62.752 62.100 -0.044 0.000 1.149 369 T CB 1.657 70.468 68.868 -0.095 0.000 1.007 369 T HN 0.608 nan 8.240 nan 0.000 0.528 370 V N 6.667 126.538 119.914 -0.072 0.000 2.222 370 V HA 0.097 4.217 4.120 0.000 0.000 0.253 370 V C 1.639 177.677 176.094 -0.093 0.000 1.210 370 V CA -0.006 62.250 62.300 -0.074 0.000 1.079 370 V CB -0.573 31.197 31.823 -0.089 0.000 1.265 370 V HN 0.835 nan 8.190 nan 0.000 0.494 371 L N 2.722 123.842 121.223 -0.171 0.000 1.971 371 L HA -0.069 4.271 4.340 0.000 0.000 0.215 371 L C 0.471 176.908 176.870 -0.722 0.000 1.072 371 L CA 2.114 56.684 54.840 -0.450 0.000 0.758 371 L CB -0.152 41.616 42.059 -0.485 0.000 0.889 371 L HN 0.398 nan 8.230 nan 0.000 0.433 372 F N -2.103 117.845 119.950 -0.004 0.000 2.603 372 F HA 0.604 5.131 4.527 0.000 0.000 0.317 372 F C -0.013 175.767 175.800 -0.034 0.000 1.066 372 F CA -0.637 57.389 58.000 0.043 0.000 0.941 372 F CB 1.846 40.928 39.000 0.136 0.000 1.291 372 F HN -0.232 nan 8.300 nan 0.000 0.472 373 M N 1.027 120.619 119.600 -0.013 0.000 2.520 373 M HA 0.802 5.282 4.480 0.000 0.000 0.280 373 M C -1.245 174.510 176.300 -0.909 0.000 1.232 373 M CA -0.120 54.844 55.300 -0.560 0.000 0.892 373 M CB 2.754 34.945 32.600 -0.682 0.000 1.728 373 M HN 0.829 nan 8.290 nan 0.000 0.475 374 G N 1.944 109.987 108.800 -1.261 0.000 2.328 374 G HA2 0.411 4.371 3.960 0.000 0.000 0.295 374 G HA3 0.411 4.371 3.960 0.000 0.000 0.295 374 G C -2.607 172.050 174.900 -0.405 0.000 1.413 374 G CA -0.770 43.900 45.100 -0.718 0.000 0.817 374 G HN 0.869 nan 8.290 nan 0.000 0.546 375 Q N -0.557 119.259 119.800 0.026 0.000 2.321 375 Q HA 0.674 5.014 4.340 0.000 0.000 0.270 375 Q C -1.347 174.601 176.000 -0.086 0.000 1.032 375 Q CA -1.032 54.777 55.803 0.011 0.000 0.784 375 Q CB 2.758 31.556 28.738 0.100 0.000 1.264 375 Q HN 0.405 nan 8.270 nan 0.000 0.448 376 V N 4.680 124.349 119.914 -0.409 0.000 2.320 376 V HA 0.126 4.246 4.120 0.000 0.000 0.265 376 V C 0.560 176.418 176.094 -0.394 0.000 1.048 376 V CA -0.433 61.501 62.300 -0.610 0.000 0.865 376 V CB 0.763 31.726 31.823 -1.434 0.000 1.043 376 V HN 0.947 nan 8.190 nan 0.000 0.474 377 M N 2.230 121.747 119.600 -0.138 0.000 2.510 377 M HA 0.274 4.754 4.480 0.000 0.000 0.256 377 M C 0.697 177.091 176.300 0.156 0.000 1.132 377 M CA 0.695 56.017 55.300 0.038 0.000 1.105 377 M CB -0.157 32.468 32.600 0.043 0.000 1.375 377 M HN 0.733 nan 8.290 nan 0.000 0.477 378 E N 1.633 121.813 120.200 -0.034 0.000 2.639 378 E HA 0.207 4.557 4.350 0.000 0.000 0.378 378 E C -2.543 173.917 176.600 -0.233 0.000 1.002 378 E CA -0.905 55.442 56.400 -0.089 0.000 0.747 378 E CB 1.828 31.562 29.700 0.057 0.000 1.571 378 E HN -0.011 nan 8.360 nan 0.000 0.382 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.961 63.100 -0.232 0.000 0.800 379 P CB 0.000 31.540 31.700 -0.267 0.000 0.726