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_B 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 0.000 175.819 175.900 -0.134 0.000 1.272 7 Y CA 0.000 58.047 58.100 -0.089 0.000 1.940 7 Y CB 0.000 38.399 38.460 -0.102 0.000 1.050 8 V N 0.722 120.420 119.914 -0.360 0.000 2.575 8 V HA 0.124 4.245 4.120 0.002 0.000 0.242 8 V C 2.513 178.388 176.094 -0.366 0.000 1.045 8 V CA 1.659 63.615 62.300 -0.574 0.000 1.065 8 V CB -0.802 30.794 31.823 -0.377 0.000 0.717 8 V HN 0.379 nan 8.190 nan 0.000 0.467 9 A N -0.511 122.221 122.820 -0.147 0.000 1.940 9 A HA -0.293 4.028 4.320 0.002 0.000 0.219 9 A C 2.221 179.774 177.584 -0.052 0.000 1.176 9 A CA 2.048 54.059 52.037 -0.043 0.000 0.631 9 A CB -0.838 18.165 19.000 0.006 0.000 0.814 9 A HN 0.658 nan 8.150 nan 0.000 0.446 10 H N -0.140 118.842 119.070 -0.147 0.000 2.389 10 H HA 0.034 4.591 4.556 0.002 0.000 0.299 10 H C 1.877 177.123 175.328 -0.138 0.000 1.081 10 H CA 1.684 57.662 56.048 -0.118 0.000 1.345 10 H CB -0.099 29.609 29.762 -0.090 0.000 1.393 10 H HN 0.436 nan 8.280 nan 0.000 0.520 11 L N -0.161 120.992 121.223 -0.116 0.000 2.072 11 L HA -0.074 4.268 4.340 0.002 0.000 0.205 11 L C 2.999 179.883 176.870 0.023 0.000 1.079 11 L CA 0.892 55.661 54.840 -0.118 0.000 0.752 11 L CB -0.511 41.274 42.059 -0.455 0.000 0.906 11 L HN 0.224 nan 8.230 nan 0.000 0.436 12 A N -0.644 122.147 122.820 -0.048 0.000 1.933 12 A HA -0.180 4.141 4.320 0.002 0.000 0.218 12 A C 2.492 180.179 177.584 0.172 0.000 1.175 12 A CA 1.981 54.108 52.037 0.150 0.000 0.628 12 A CB -0.504 18.559 19.000 0.105 0.000 0.814 12 A HN 0.370 nan 8.150 nan 0.000 0.444 13 S N 0.148 115.876 115.700 0.048 0.000 2.348 13 S HA -0.155 4.316 4.470 0.002 0.000 0.221 13 S C 1.684 176.283 174.600 -0.001 0.000 1.033 13 S CA 1.462 59.658 58.200 -0.006 0.000 1.010 13 S CB -0.430 62.681 63.200 -0.149 0.000 0.891 13 S HN 0.609 nan 8.310 nan 0.000 0.442 14 D N 0.675 121.067 120.400 -0.013 0.000 2.097 14 D HA -0.068 4.573 4.640 0.002 0.000 0.195 14 D C 1.601 177.950 176.300 0.081 0.000 0.989 14 D CA 0.718 54.727 54.000 0.014 0.000 0.827 14 D CB -0.446 40.380 40.800 0.043 0.000 0.966 14 D HN 0.334 nan 8.370 nan 0.000 0.456 15 F N 1.497 121.486 119.950 0.064 0.000 2.120 15 F HA -0.149 4.378 4.527 0.001 0.000 0.300 15 F C 2.179 178.043 175.800 0.107 0.000 1.095 15 F CA 2.048 60.104 58.000 0.093 0.000 1.249 15 F CB -0.510 38.569 39.000 0.132 0.000 0.995 15 F HN -0.023 nan 8.300 nan 0.000 0.480 16 G N -0.633 108.174 108.800 0.011 0.000 2.448 16 G HA2 -0.108 3.853 3.960 0.002 0.000 0.218 16 G HA3 -0.108 3.853 3.960 0.002 0.000 0.218 16 G C 1.654 176.572 174.900 0.030 0.000 1.135 16 G CA 0.909 46.025 45.100 0.028 0.000 0.784 16 G HN 0.359 nan 8.290 nan 0.000 0.543 17 V N 0.350 120.258 119.914 -0.009 0.000 2.379 17 V HA -0.051 4.070 4.120 0.002 0.000 0.245 17 V C 2.687 178.758 176.094 -0.038 0.000 1.044 17 V CA 1.697 64.001 62.300 0.007 0.000 1.036 17 V CB -0.412 31.394 31.823 -0.029 0.000 0.664 17 V HN 0.331 nan 8.190 nan 0.000 0.453 18 R N -0.132 120.299 120.500 -0.115 0.000 2.152 18 R HA -0.114 4.227 4.340 0.002 0.000 0.232 18 R C 2.054 178.212 176.300 -0.237 0.000 1.117 18 R CA 1.270 57.279 56.100 -0.152 0.000 0.981 18 R CB -0.120 30.098 30.300 -0.137 0.000 0.870 18 R HN 0.428 nan 8.270 nan 0.000 0.451 19 V N 0.221 119.940 119.914 -0.324 0.000 2.649 19 V HA -0.153 3.968 4.120 0.002 0.000 0.248 19 V C 1.735 177.571 176.094 -0.431 0.000 1.054 19 V CA 1.170 63.276 62.300 -0.323 0.000 1.073 19 V CB -0.482 31.199 31.823 -0.236 0.000 0.699 19 V HN 0.292 nan 8.190 nan 0.000 0.463 20 F N 1.408 120.973 119.950 -0.642 0.000 2.146 20 F HA -0.146 4.382 4.527 0.001 0.000 0.298 20 F C 2.399 177.923 175.800 -0.461 0.000 1.096 20 F CA 1.650 59.139 58.000 -0.852 0.000 1.275 20 F CB -0.379 38.269 39.000 -0.588 0.000 1.008 20 F HN 0.147 nan 8.300 nan 0.000 0.480 21 Q N -0.159 119.362 119.800 -0.465 0.000 2.152 21 Q HA -0.257 4.084 4.340 0.002 0.000 0.206 21 Q C 2.168 177.908 176.000 -0.433 0.000 0.985 21 Q CA 1.762 57.299 55.803 -0.443 0.000 0.863 21 Q CB -0.301 28.316 28.738 -0.202 0.000 0.904 21 Q HN 0.475 nan 8.270 nan 0.000 0.422 22 Q N -0.132 119.451 119.800 -0.361 0.000 2.020 22 Q HA -0.133 4.209 4.340 0.002 0.000 0.202 22 Q C 2.456 178.277 176.000 -0.299 0.000 0.982 22 Q CA 1.836 57.477 55.803 -0.270 0.000 0.838 22 Q CB -0.787 27.830 28.738 -0.201 0.000 0.899 22 Q HN 0.503 nan 8.270 nan 0.000 0.423 23 V N -1.276 118.407 119.914 -0.385 0.000 2.594 23 V HA -0.092 4.029 4.120 0.002 0.000 0.253 23 V C 2.157 178.043 176.094 -0.347 0.000 1.069 23 V CA 1.649 63.770 62.300 -0.297 0.000 1.082 23 V CB -1.249 30.430 31.823 -0.240 0.000 0.680 23 V HN 0.197 nan 8.190 nan 0.000 0.469 24 A N 0.514 122.970 122.820 -0.607 0.000 1.825 24 A HA -0.190 4.131 4.320 0.002 0.000 0.214 24 A C 2.199 179.612 177.584 -0.285 0.000 1.206 24 A CA 1.737 53.453 52.037 -0.536 0.000 0.609 24 A CB -0.869 17.625 19.000 -0.843 0.000 0.851 24 A HN 0.596 nan 8.150 nan 0.000 0.445 25 Q N -0.533 119.105 119.800 -0.270 0.000 2.449 25 Q HA -0.102 4.239 4.340 0.002 0.000 0.214 25 Q C 1.636 177.563 176.000 -0.122 0.000 0.986 25 Q CA 0.925 56.633 55.803 -0.159 0.000 0.893 25 Q CB -0.403 28.250 28.738 -0.142 0.000 0.940 25 Q HN 0.661 nan 8.270 nan 0.000 0.477 26 A N -0.200 122.537 122.820 -0.138 0.000 2.348 26 A HA 0.181 4.502 4.320 0.002 0.000 0.224 26 A C 0.571 178.114 177.584 -0.068 0.000 1.227 26 A CA -0.125 51.856 52.037 -0.093 0.000 0.885 26 A CB 0.726 19.669 19.000 -0.094 0.000 0.933 26 A HN 0.059 nan 8.150 nan 0.000 0.506 27 S N 0.322 115.977 115.700 -0.075 0.000 2.512 27 S HA 0.219 4.690 4.470 0.002 0.000 0.161 27 S C -0.418 174.162 174.600 -0.033 0.000 1.383 27 S CA -0.784 57.391 58.200 -0.042 0.000 1.248 27 S CB 0.310 63.492 63.200 -0.030 0.000 1.488 27 S HN 0.403 nan 8.310 nan 0.000 0.382 28 K N 2.541 122.925 120.400 -0.028 0.000 2.485 28 K HA 0.088 4.409 4.320 0.002 0.000 0.277 28 K C -0.315 176.286 176.600 0.002 0.000 0.990 28 K CA 0.713 56.992 56.287 -0.014 0.000 0.994 28 K CB -0.060 32.434 32.500 -0.009 0.000 0.906 28 K HN 0.321 nan 8.250 nan 0.000 0.488 29 D N 2.440 122.848 120.400 0.012 0.000 2.812 29 D HA -0.223 4.418 4.640 0.002 0.000 0.237 29 D C -1.007 175.309 176.300 0.026 0.000 1.162 29 D CA 0.989 55.004 54.000 0.025 0.000 0.740 29 D CB -0.823 39.991 40.800 0.024 0.000 1.000 29 D HN 0.570 nan 8.370 nan 0.000 0.416 30 R N 0.083 120.598 120.500 0.025 0.000 2.522 30 R HA 0.278 4.619 4.340 0.002 0.000 0.273 30 R C -0.720 175.601 176.300 0.036 0.000 1.133 30 R CA -0.921 55.197 56.100 0.029 0.000 0.969 30 R CB 0.975 31.289 30.300 0.024 0.000 1.235 30 R HN -0.124 nan 8.270 nan 0.000 0.433 31 N N 1.015 119.738 118.700 0.038 0.000 2.411 31 N HA 0.185 4.926 4.740 0.002 0.000 0.261 31 N C -1.107 174.463 175.510 0.100 0.000 1.248 31 N CA 0.297 53.376 53.050 0.048 0.000 0.885 31 N CB 1.067 39.577 38.487 0.037 0.000 1.062 31 N HN 0.294 nan 8.380 nan 0.000 0.471 32 V N 3.691 123.694 119.914 0.147 0.000 2.697 32 V HA 0.419 4.540 4.120 0.002 0.000 0.300 32 V C -1.259 175.023 176.094 0.313 0.000 1.115 32 V CA -0.602 61.833 62.300 0.224 0.000 0.912 32 V CB 1.579 33.527 31.823 0.210 0.000 1.024 32 V HN 0.269 nan 8.190 nan 0.000 0.431 33 V N 7.663 127.784 119.914 0.346 0.000 2.483 33 V HA 0.725 4.847 4.120 0.002 0.000 0.295 33 V C -0.484 175.882 176.094 0.453 0.000 1.035 33 V CA -0.423 62.119 62.300 0.404 0.000 0.896 33 V CB 1.588 33.668 31.823 0.428 0.000 0.986 33 V HN 0.841 nan 8.190 nan 0.000 0.447 34 F N 2.629 122.702 119.950 0.204 0.000 2.668 34 F HA 0.632 5.160 4.527 0.001 0.000 0.309 34 F C -0.359 175.551 175.800 0.182 0.000 1.117 34 F CA -0.450 57.676 58.000 0.209 0.000 0.951 34 F CB 2.269 41.436 39.000 0.278 0.000 1.323 34 F HN 0.346 nan 8.300 nan 0.000 0.451 35 S N 4.962 120.516 115.700 -0.243 0.000 2.667 35 S HA 0.443 4.914 4.470 0.002 0.000 0.304 35 S C -2.330 172.213 174.600 -0.094 0.000 1.135 35 S CA -1.564 56.554 58.200 -0.137 0.000 1.125 35 S CB 1.175 64.255 63.200 -0.200 0.000 0.996 35 S HN 0.440 nan 8.310 nan 0.000 0.474 36 P HA -0.141 nan 4.420 nan 0.000 0.215 36 P C 0.965 178.348 177.300 0.139 0.000 1.153 36 P CA 0.846 64.092 63.100 0.244 0.000 0.853 36 P CB -0.053 31.724 31.700 0.128 0.000 0.788 37 Y N 0.723 120.980 120.300 -0.072 0.000 2.097 37 Y HA -0.167 4.385 4.550 0.002 0.000 0.282 37 Y C 2.425 178.308 175.900 -0.028 0.000 1.152 37 Y CA 2.128 60.188 58.100 -0.067 0.000 1.136 37 Y CB -1.245 37.110 38.460 -0.176 0.000 0.975 37 Y HN -0.138 nan 8.280 nan 0.000 0.498 38 G N -0.247 108.410 108.800 -0.238 0.000 2.514 38 G HA2 -0.327 3.634 3.960 0.002 0.000 0.217 38 G HA3 -0.327 3.634 3.960 0.002 0.000 0.217 38 G C 1.834 176.623 174.900 -0.184 0.000 1.198 38 G CA 1.507 46.445 45.100 -0.269 0.000 0.780 38 G HN 0.450 nan 8.290 nan 0.000 0.565 39 V N 1.285 121.140 119.914 -0.099 0.000 2.594 39 V HA 0.024 4.145 4.120 0.002 0.000 0.253 39 V C 3.092 179.300 176.094 0.188 0.000 1.069 39 V CA 2.312 64.648 62.300 0.061 0.000 1.082 39 V CB -0.562 31.362 31.823 0.168 0.000 0.680 39 V HN 0.465 nan 8.190 nan 0.000 0.469 40 A N -1.020 121.899 122.820 0.165 0.000 1.930 40 A HA -0.180 4.141 4.320 0.002 0.000 0.217 40 A C 2.527 180.116 177.584 0.009 0.000 1.175 40 A CA 2.169 54.350 52.037 0.241 0.000 0.627 40 A CB -0.858 18.279 19.000 0.229 0.000 0.815 40 A HN 0.584 nan 8.150 nan 0.000 0.443 41 S N -0.241 115.350 115.700 -0.183 0.000 2.335 41 S HA -0.153 4.318 4.470 0.002 0.000 0.216 41 S C 2.120 176.607 174.600 -0.188 0.000 1.032 41 S CA 2.242 60.306 58.200 -0.226 0.000 1.000 41 S CB -0.980 61.988 63.200 -0.388 0.000 0.928 41 S HN 0.946 nan 8.310 nan 0.000 0.434 42 V N 1.446 121.272 119.914 -0.147 0.000 2.278 42 V HA -0.192 3.929 4.120 0.002 0.000 0.251 42 V C 2.361 178.388 176.094 -0.111 0.000 1.062 42 V CA 2.217 64.445 62.300 -0.119 0.000 1.038 42 V CB -1.349 30.451 31.823 -0.039 0.000 0.646 42 V HN 0.547 nan 8.190 nan 0.000 0.447 43 L N 0.400 121.588 121.223 -0.059 0.000 2.201 43 L HA 0.002 4.343 4.340 0.002 0.000 0.212 43 L C 2.942 179.713 176.870 -0.164 0.000 1.105 43 L CA 1.253 56.044 54.840 -0.082 0.000 0.775 43 L CB -0.799 41.223 42.059 -0.062 0.000 0.913 43 L HN 0.461 nan 8.230 nan 0.000 0.440 44 A N -0.274 122.442 122.820 -0.174 0.000 2.015 44 A HA -0.164 4.157 4.320 0.002 0.000 0.219 44 A C 2.264 179.772 177.584 -0.127 0.000 1.163 44 A CA 1.378 53.334 52.037 -0.134 0.000 0.646 44 A CB -0.250 18.763 19.000 0.021 0.000 0.806 44 A HN 0.350 nan 8.150 nan 0.000 0.448 45 M N -1.675 117.683 119.600 -0.404 0.000 2.299 45 M HA 0.064 4.545 4.480 0.002 0.000 0.264 45 M C 2.021 178.323 176.300 0.003 0.000 1.095 45 M CA 0.790 55.702 55.300 -0.646 0.000 1.165 45 M CB -0.330 31.739 32.600 -0.885 0.000 1.349 45 M HN 0.382 nan 8.290 nan 0.000 0.446 46 L N 1.114 122.330 121.223 -0.011 0.000 2.263 46 L HA -0.218 4.123 4.340 0.002 0.000 0.216 46 L C 2.280 179.207 176.870 0.094 0.000 1.111 46 L CA 1.819 56.713 54.840 0.090 0.000 0.773 46 L CB -0.637 41.454 42.059 0.054 0.000 0.906 46 L HN 0.343 nan 8.230 nan 0.000 0.439 47 Q N -1.373 118.443 119.800 0.027 0.000 2.084 47 Q HA -0.229 4.112 4.340 0.002 0.000 0.202 47 Q C 2.171 178.220 176.000 0.081 0.000 0.978 47 Q CA 1.735 57.531 55.803 -0.012 0.000 0.844 47 Q CB -0.265 28.428 28.738 -0.075 0.000 0.898 47 Q HN 0.477 nan 8.270 nan 0.000 0.426 48 L N 0.579 121.936 121.223 0.224 0.000 2.131 48 L HA -0.152 4.189 4.340 0.002 0.000 0.210 48 L C 2.462 179.609 176.870 0.461 0.000 1.092 48 L CA 2.170 57.195 54.840 0.308 0.000 0.759 48 L CB -0.652 41.627 42.059 0.366 0.000 0.903 48 L HN 0.333 nan 8.230 nan 0.000 0.435 49 T N -5.002 109.804 114.554 0.421 0.000 2.985 49 T HA -0.068 4.283 4.350 0.002 0.000 0.266 49 T C 1.192 175.952 174.700 0.100 0.000 1.076 49 T CA 0.877 63.127 62.100 0.249 0.000 1.135 49 T CB -0.652 68.361 68.868 0.242 0.000 0.890 49 T HN 0.324 nan 8.240 nan 0.000 0.480 50 T N 0.911 115.426 114.554 -0.064 0.000 2.889 50 T HA 0.592 4.943 4.350 0.002 0.000 0.291 50 T C 0.035 174.611 174.700 -0.208 0.000 0.995 50 T CA -0.207 61.645 62.100 -0.412 0.000 1.092 50 T CB 0.650 69.169 68.868 -0.582 0.000 0.954 50 T HN 0.585 nan 8.240 nan 0.000 0.506 51 G N 1.574 110.241 108.800 -0.222 0.000 2.574 51 G HA2 0.653 4.614 3.960 0.002 0.000 0.299 51 G HA3 0.653 4.614 3.960 0.002 0.000 0.299 51 G C 0.326 175.156 174.900 -0.115 0.000 1.298 51 G CA 0.061 45.095 45.100 -0.111 0.000 0.952 51 G HN 1.259 nan 8.290 nan 0.000 0.477 52 G N 0.429 109.187 108.800 -0.070 0.000 2.578 52 G HA2 -0.247 3.714 3.960 0.002 0.000 0.284 52 G HA3 -0.247 3.714 3.960 0.002 0.000 0.284 52 G C 1.082 175.937 174.900 -0.076 0.000 1.283 52 G CA 0.745 45.810 45.100 -0.058 0.000 0.944 52 G HN 0.870 nan 8.290 nan 0.000 0.558 53 E N -0.734 119.431 120.200 -0.059 0.000 2.365 53 E HA -0.327 4.024 4.350 0.002 0.000 0.252 53 E C 2.599 179.150 176.600 -0.081 0.000 1.017 53 E CA 2.679 59.046 56.400 -0.054 0.000 1.051 53 E CB -1.598 28.079 29.700 -0.038 0.000 0.978 53 E HN 0.765 nan 8.360 nan 0.000 0.523 54 T N 1.722 116.206 114.554 -0.118 0.000 2.680 54 T HA -0.292 4.059 4.350 0.002 0.000 0.268 54 T C 1.949 176.540 174.700 -0.182 0.000 1.033 54 T CA 2.202 64.202 62.100 -0.165 0.000 1.152 54 T CB -0.375 68.313 68.868 -0.299 0.000 0.859 54 T HN 0.360 nan 8.240 nan 0.000 0.452 55 Q N 0.711 120.392 119.800 -0.198 0.000 2.045 55 Q HA -0.241 4.100 4.340 0.002 0.000 0.206 55 Q C 2.410 178.336 176.000 -0.123 0.000 0.991 55 Q CA 1.766 57.467 55.803 -0.170 0.000 0.851 55 Q CB -0.193 28.462 28.738 -0.137 0.000 0.911 55 Q HN 0.625 nan 8.270 nan 0.000 0.418 56 Q N -0.277 119.469 119.800 -0.090 0.000 2.135 56 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 56 Q C 2.228 178.192 176.000 -0.060 0.000 0.981 56 Q CA 1.659 57.422 55.803 -0.066 0.000 0.856 56 Q CB -0.035 28.678 28.738 -0.042 0.000 0.902 56 Q HN 0.531 nan 8.270 nan 0.000 0.425 57 Q N 0.399 120.168 119.800 -0.052 0.000 2.045 57 Q HA -0.203 4.138 4.340 0.002 0.000 0.206 57 Q C 2.193 178.172 176.000 -0.034 0.000 0.991 57 Q CA 1.429 57.219 55.803 -0.022 0.000 0.851 57 Q CB -0.299 28.437 28.738 -0.003 0.000 0.911 57 Q HN 0.447 nan 8.270 nan 0.000 0.418 58 I N 0.798 121.321 120.570 -0.078 0.000 2.127 58 I HA -0.349 3.822 4.170 0.002 0.000 0.241 58 I C 2.552 178.544 176.117 -0.208 0.000 1.075 58 I CA 1.525 62.746 61.300 -0.131 0.000 1.334 58 I CB -0.481 37.416 38.000 -0.173 0.000 1.040 58 I HN 0.313 nan 8.210 nan 0.000 0.405 59 Q N 0.695 120.377 119.800 -0.196 0.000 2.002 59 Q HA -0.245 4.096 4.340 0.002 0.000 0.204 59 Q C 2.491 178.404 176.000 -0.144 0.000 0.988 59 Q CA 2.091 57.761 55.803 -0.221 0.000 0.843 59 Q CB -0.412 28.233 28.738 -0.153 0.000 0.908 59 Q HN 0.597 nan 8.270 nan 0.000 0.420 60 A N 1.244 124.023 122.820 -0.068 0.000 1.873 60 A HA -0.250 4.071 4.320 0.002 0.000 0.218 60 A C 2.345 179.940 177.584 0.017 0.000 1.193 60 A CA 2.059 54.090 52.037 -0.011 0.000 0.629 60 A CB -1.162 17.841 19.000 0.005 0.000 0.826 60 A HN 0.458 nan 8.150 nan 0.000 0.447 61 A N -1.094 121.741 122.820 0.025 0.000 1.978 61 A HA -0.114 4.207 4.320 0.002 0.000 0.220 61 A C 2.199 179.875 177.584 0.153 0.000 1.170 61 A CA 1.908 54.024 52.037 0.132 0.000 0.636 61 A CB -0.492 18.633 19.000 0.208 0.000 0.810 61 A HN 0.577 nan 8.150 nan 0.000 0.448 62 M N -2.438 117.075 119.600 -0.145 0.000 2.501 62 M HA 0.179 4.660 4.480 0.002 0.000 0.261 62 M C 1.528 177.884 176.300 0.094 0.000 1.129 62 M CA 0.863 56.001 55.300 -0.270 0.000 1.126 62 M CB 0.294 32.411 32.600 -0.805 0.000 1.359 62 M HN 0.632 nan 8.290 nan 0.000 0.471 63 G N 2.002 110.844 108.800 0.071 0.000 2.176 63 G HA2 -0.270 3.691 3.960 0.002 0.000 0.253 63 G HA3 -0.270 3.691 3.960 0.002 0.000 0.253 63 G C -0.114 174.973 174.900 0.313 0.000 0.979 63 G CA 0.294 45.514 45.100 0.200 0.000 0.641 63 G HN 0.552 nan 8.290 nan 0.000 0.530 64 F N -1.730 118.199 119.950 -0.035 0.000 2.703 64 F HA 0.744 5.272 4.527 0.002 0.000 0.308 64 F C -0.821 174.961 175.800 -0.029 0.000 1.126 64 F CA -2.297 55.695 58.000 -0.014 0.000 0.959 64 F CB 0.720 39.699 39.000 -0.034 0.000 1.297 64 F HN -0.020 nan 8.300 nan 0.000 0.441 65 K N 2.986 123.382 120.400 -0.007 0.000 2.234 65 K HA 0.370 4.692 4.320 0.002 0.000 0.277 65 K C 0.615 177.224 176.600 0.016 0.000 1.038 65 K CA -0.726 55.509 56.287 -0.086 0.000 0.888 65 K CB 2.330 34.821 32.500 -0.015 0.000 1.091 65 K HN 0.778 nan 8.250 nan 0.000 0.467 66 I N 2.348 122.879 120.570 -0.066 0.000 2.264 66 I HA -0.269 3.902 4.170 0.002 0.000 0.248 66 I C 1.281 177.415 176.117 0.029 0.000 1.111 66 I CA 1.906 63.239 61.300 0.055 0.000 1.382 66 I CB -0.080 37.959 38.000 0.064 0.000 1.060 66 I HN 0.664 nan 8.210 nan 0.000 0.418 67 D N 0.359 120.761 120.400 0.005 0.000 2.363 67 D HA -0.053 4.588 4.640 0.002 0.000 0.226 67 D C 0.118 176.437 176.300 0.033 0.000 1.020 67 D CA 0.227 54.232 54.000 0.008 0.000 0.892 67 D CB -0.213 40.607 40.800 0.032 0.000 0.900 67 D HN 0.369 nan 8.370 nan 0.000 0.531 68 D N 0.694 121.126 120.400 0.054 0.000 2.345 68 D HA 0.016 4.657 4.640 0.002 0.000 0.247 68 D C 0.374 176.706 176.300 0.054 0.000 1.108 68 D CA -0.229 53.807 54.000 0.060 0.000 0.894 68 D CB 0.999 41.853 40.800 0.090 0.000 1.203 68 D HN -0.107 nan 8.370 nan 0.000 0.430 69 K N 0.492 120.914 120.400 0.036 0.000 2.511 69 K HA 0.175 4.496 4.320 0.002 0.000 0.280 69 K C 1.034 177.654 176.600 0.033 0.000 1.008 69 K CA 1.014 57.315 56.287 0.023 0.000 1.050 69 K CB 0.007 32.514 32.500 0.012 0.000 0.889 69 K HN 0.601 nan 8.250 nan 0.000 0.484 70 G N 3.777 112.591 108.800 0.022 0.000 2.345 70 G HA2 -0.307 3.654 3.960 0.002 0.000 0.218 70 G HA3 -0.307 3.654 3.960 0.002 0.000 0.218 70 G C 0.950 175.873 174.900 0.038 0.000 1.058 70 G CA 0.319 45.435 45.100 0.028 0.000 0.632 70 G HN 0.463 nan 8.290 nan 0.000 0.508 71 M N 1.174 120.813 119.600 0.064 0.000 2.126 71 M HA 0.083 4.565 4.480 0.002 0.000 0.259 71 M C 3.101 179.437 176.300 0.059 0.000 1.073 71 M CA 2.764 58.114 55.300 0.083 0.000 1.103 71 M CB -1.885 30.833 32.600 0.197 0.000 1.284 71 M HN 0.841 nan 8.290 nan 0.000 0.420 72 A N 1.341 124.175 122.820 0.024 0.000 1.884 72 A HA -0.169 4.152 4.320 0.002 0.000 0.219 72 A C -0.027 177.536 177.584 -0.034 0.000 1.197 72 A CA 2.413 54.418 52.037 -0.054 0.000 0.637 72 A CB -2.392 16.453 19.000 -0.258 0.000 0.827 72 A HN 0.461 nan 8.150 nan 0.000 0.450 73 P HA -0.164 nan 4.420 nan 0.000 0.218 73 P C 1.597 178.932 177.300 0.058 0.000 1.148 73 P CA 1.959 65.058 63.100 -0.001 0.000 0.822 73 P CB -0.189 31.508 31.700 -0.005 0.000 0.784 74 A N 0.785 123.630 122.820 0.043 0.000 1.865 74 A HA -0.169 4.152 4.320 0.002 0.000 0.217 74 A C 2.518 180.165 177.584 0.105 0.000 1.191 74 A CA 1.720 53.781 52.037 0.039 0.000 0.623 74 A CB -1.665 17.330 19.000 -0.009 0.000 0.826 74 A HN 0.130 nan 8.150 nan 0.000 0.444 75 L N -1.075 120.213 121.223 0.108 0.000 2.042 75 L HA -0.230 4.111 4.340 0.002 0.000 0.210 75 L C 2.889 179.891 176.870 0.221 0.000 1.076 75 L CA 1.562 56.507 54.840 0.174 0.000 0.749 75 L CB -0.594 41.576 42.059 0.186 0.000 0.893 75 L HN 0.383 nan 8.230 nan 0.000 0.432 76 R N -1.110 119.487 120.500 0.162 0.000 2.083 76 R HA -0.219 4.122 4.340 0.002 0.000 0.237 76 R C 2.380 178.808 176.300 0.213 0.000 1.137 76 R CA 1.563 57.755 56.100 0.152 0.000 0.951 76 R CB -0.811 29.520 30.300 0.052 0.000 0.851 76 R HN 0.461 nan 8.270 nan 0.000 0.434 77 H N 1.546 120.671 119.070 0.093 0.000 2.251 77 H HA -0.184 4.373 4.556 0.002 0.000 0.294 77 H C 2.077 177.459 175.328 0.091 0.000 1.078 77 H CA 2.106 58.203 56.048 0.082 0.000 1.246 77 H CB -0.368 29.428 29.762 0.057 0.000 1.358 77 H HN 0.123 nan 8.280 nan 0.000 0.488 78 L N 0.616 122.098 121.223 0.432 0.000 2.043 78 L HA -0.230 4.111 4.340 0.002 0.000 0.212 78 L C 2.622 179.550 176.870 0.096 0.000 1.075 78 L CA 2.276 57.270 54.840 0.257 0.000 0.752 78 L CB -1.475 40.696 42.059 0.187 0.000 0.891 78 L HN 0.366 nan 8.230 nan 0.000 0.432 79 Y N 0.374 120.741 120.300 0.111 0.000 2.165 79 Y HA -0.316 4.235 4.550 0.002 0.000 0.286 79 Y C 2.718 178.638 175.900 0.035 0.000 1.155 79 Y CA 2.520 60.686 58.100 0.111 0.000 1.164 79 Y CB -0.230 38.316 38.460 0.144 0.000 0.978 79 Y HN 0.291 nan 8.280 nan 0.000 0.513 80 K N 0.332 120.776 120.400 0.073 0.000 2.002 80 K HA -0.261 4.060 4.320 0.002 0.000 0.209 80 K C 2.233 178.768 176.600 -0.109 0.000 1.048 80 K CA 1.854 58.127 56.287 -0.023 0.000 0.930 80 K CB -0.357 32.145 32.500 0.003 0.000 0.714 80 K HN 0.469 nan 8.250 nan 0.000 0.438 81 E N 0.397 120.535 120.200 -0.104 0.000 2.265 81 E HA -0.178 4.173 4.350 0.002 0.000 0.196 81 E C 1.896 178.581 176.600 0.142 0.000 0.996 81 E CA 0.703 57.110 56.400 0.011 0.000 0.832 81 E CB 0.072 29.778 29.700 0.010 0.000 0.756 81 E HN 0.340 nan 8.360 nan 0.000 0.491 82 L N -0.216 120.951 121.223 -0.093 0.000 2.068 82 L HA -0.064 4.277 4.340 0.002 0.000 0.204 82 L C 2.030 178.799 176.870 -0.169 0.000 1.076 82 L CA 0.482 55.300 54.840 -0.038 0.000 0.753 82 L CB -0.146 41.726 42.059 -0.312 0.000 0.910 82 L HN 0.204 nan 8.230 nan 0.000 0.439 83 M N 0.626 120.011 119.600 -0.358 0.000 2.639 83 M HA 0.125 4.606 4.480 0.002 0.000 0.220 83 M C 1.174 177.288 176.300 -0.310 0.000 1.155 83 M CA -0.024 55.052 55.300 -0.374 0.000 1.003 83 M CB -1.683 30.680 32.600 -0.395 0.000 1.725 83 M HN 0.107 nan 8.290 nan 0.000 0.489 84 G N 1.895 110.530 108.800 -0.274 0.000 2.443 84 G HA2 0.067 4.028 3.960 0.002 0.000 0.286 84 G HA3 0.067 4.028 3.960 0.002 0.000 0.286 84 G C -1.628 173.074 174.900 -0.330 0.000 1.393 84 G CA -0.501 44.492 45.100 -0.179 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 1.849 179.073 177.300 -0.127 0.000 1.154 85 P CA 1.379 64.419 63.100 -0.100 0.000 0.841 85 P CB -0.056 31.662 31.700 0.029 0.000 0.790 86 W N 0.645 121.967 121.300 0.037 0.000 2.363 86 W HA -0.140 4.521 4.660 0.002 0.000 0.296 86 W C 1.378 178.006 176.519 0.181 0.000 1.212 86 W CA 0.779 58.163 57.345 0.065 0.000 1.260 86 W CB -2.213 27.240 29.460 -0.013 0.000 1.131 86 W HN -0.015 nan 8.180 nan 0.000 0.530 87 N N 2.416 120.222 118.700 -1.490 0.000 2.112 87 N HA -0.344 4.398 4.740 0.002 0.000 0.200 87 N C 1.017 176.286 175.510 -0.402 0.000 1.011 87 N CA 3.236 55.475 53.050 -1.352 0.000 0.891 87 N CB -0.771 37.069 38.487 -1.080 0.000 1.060 87 N HN 0.302 nan 8.380 nan 0.000 0.478 88 K N -0.072 120.182 120.400 -0.244 0.000 3.096 88 K HA -0.238 4.083 4.320 0.002 0.000 0.266 88 K C -0.944 175.576 176.600 -0.134 0.000 1.043 88 K CA 0.972 57.194 56.287 -0.107 0.000 0.758 88 K CB -1.370 31.136 32.500 0.011 0.000 1.260 88 K HN 0.445 nan 8.250 nan 0.000 0.481 89 D N -1.161 119.151 120.400 -0.147 0.000 3.012 89 D HA -0.192 4.449 4.640 0.002 0.000 0.222 89 D C 0.360 176.606 176.300 -0.090 0.000 1.167 89 D CA 1.768 55.708 54.000 -0.100 0.000 0.854 89 D CB -0.577 40.174 40.800 -0.081 0.000 1.107 89 D HN 0.763 nan 8.370 nan 0.000 0.421 90 E N -0.514 119.602 120.200 -0.141 0.000 2.250 90 E HA 0.210 4.561 4.350 0.002 0.000 0.192 90 E C 1.002 177.541 176.600 -0.101 0.000 0.986 90 E CA 0.409 56.676 56.400 -0.222 0.000 0.849 90 E CB 1.122 30.684 29.700 -0.230 0.000 0.797 90 E HN 0.499 nan 8.360 nan 0.000 0.482 91 I N 0.257 120.871 120.570 0.072 0.000 2.656 91 I HA 0.262 4.433 4.170 0.002 0.000 0.292 91 I C -1.494 174.730 176.117 0.179 0.000 1.144 91 I CA -0.512 60.941 61.300 0.256 0.000 1.038 91 I CB 2.058 40.332 38.000 0.458 0.000 1.244 91 I HN -0.182 nan 8.210 nan 0.000 0.420 92 S N 4.059 119.924 115.700 0.274 0.000 2.536 92 S HA 0.765 5.236 4.470 0.002 0.000 0.298 92 S C -0.715 174.055 174.600 0.283 0.000 1.083 92 S CA -0.525 57.812 58.200 0.228 0.000 0.995 92 S CB 2.039 65.377 63.200 0.230 0.000 1.058 92 S HN 0.719 nan 8.310 nan 0.000 0.488 93 T N 0.550 115.259 114.554 0.259 0.000 2.932 93 T HA 0.719 5.070 4.350 0.002 0.000 0.318 93 T C -1.479 173.418 174.700 0.329 0.000 1.265 93 T CA -0.288 61.998 62.100 0.309 0.000 1.036 93 T CB 1.938 71.021 68.868 0.359 0.000 1.209 93 T HN 0.620 nan 8.240 nan 0.000 0.484 94 T N 2.687 117.413 114.554 0.286 0.000 2.977 94 T HA 0.546 4.897 4.350 0.002 0.000 0.345 94 T C -2.069 172.767 174.700 0.226 0.000 1.562 94 T CA -0.535 61.737 62.100 0.287 0.000 1.090 94 T CB 1.436 70.477 68.868 0.288 0.000 1.383 94 T HN 0.740 nan 8.240 nan 0.000 0.484 95 D N 1.046 121.563 120.400 0.196 0.000 2.497 95 D HA 0.921 5.562 4.640 0.002 0.000 0.243 95 D C -0.862 175.456 176.300 0.030 0.000 1.039 95 D CA -0.322 53.722 54.000 0.075 0.000 1.052 95 D CB 1.906 42.680 40.800 -0.043 0.000 1.344 95 D HN 0.846 nan 8.370 nan 0.000 0.553 96 A N 0.343 123.085 122.820 -0.131 0.000 2.581 96 A HA 0.442 4.763 4.320 0.002 0.000 0.309 96 A C -1.843 175.503 177.584 -0.397 0.000 1.022 96 A CA -0.619 51.136 52.037 -0.469 0.000 0.833 96 A CB 0.146 18.623 19.000 -0.870 0.000 1.208 96 A HN 0.430 nan 8.150 nan 0.000 0.388 97 I N 2.220 122.454 120.570 -0.561 0.000 2.436 97 I HA 0.558 4.729 4.170 0.002 0.000 0.289 97 I C -1.209 174.592 176.117 -0.527 0.000 1.010 97 I CA -0.473 60.620 61.300 -0.345 0.000 1.098 97 I CB 1.576 39.413 38.000 -0.271 0.000 1.266 97 I HN 0.530 nan 8.210 nan 0.000 0.434 98 F N 6.117 125.954 119.950 -0.189 0.000 2.444 98 F HA 0.607 5.137 4.527 0.004 0.000 0.342 98 F C 0.060 175.843 175.800 -0.027 0.000 1.121 98 F CA -0.909 57.008 58.000 -0.139 0.000 0.997 98 F CB 1.648 40.615 39.000 -0.056 0.000 1.130 98 F HN 0.093 nan 8.300 nan 0.000 0.454 99 V N 2.969 122.907 119.914 0.040 0.000 2.914 99 V HA 0.480 4.601 4.120 0.002 0.000 0.314 99 V C -0.766 175.341 176.094 0.023 0.000 1.084 99 V CA -0.861 61.462 62.300 0.038 0.000 0.963 99 V CB 2.051 33.796 31.823 -0.130 0.000 1.025 99 V HN 0.692 nan 8.190 nan 0.000 0.432 100 Q N 3.895 123.753 119.800 0.097 0.000 2.239 100 Q HA 0.073 4.414 4.340 0.002 0.000 0.286 100 Q C 1.476 177.442 176.000 -0.057 0.000 1.102 100 Q CA 1.174 56.999 55.803 0.036 0.000 0.936 100 Q CB 0.623 29.413 28.738 0.087 0.000 1.127 100 Q HN 0.802 nan 8.270 nan 0.000 0.380 101 R N 3.810 124.249 120.500 -0.102 0.000 2.143 101 R HA -0.262 4.079 4.340 0.002 0.000 0.239 101 R C 0.918 177.181 176.300 -0.061 0.000 1.126 101 R CA 2.119 58.165 56.100 -0.089 0.000 0.927 101 R CB -1.155 29.090 30.300 -0.092 0.000 0.860 101 R HN 0.765 nan 8.270 nan 0.000 0.433 102 D N 1.009 121.381 120.400 -0.048 0.000 2.421 102 D HA -0.149 4.492 4.640 0.002 0.000 0.223 102 D C 0.036 176.316 176.300 -0.033 0.000 0.979 102 D CA 0.574 54.553 54.000 -0.034 0.000 0.959 102 D CB -0.251 40.535 40.800 -0.025 0.000 0.874 102 D HN 0.185 nan 8.370 nan 0.000 0.513 103 L N 1.123 122.320 121.223 -0.043 0.000 2.360 103 L HA 0.078 4.419 4.340 0.002 0.000 0.276 103 L C 1.037 177.880 176.870 -0.045 0.000 1.121 103 L CA -0.170 54.642 54.840 -0.047 0.000 0.845 103 L CB 0.812 42.831 42.059 -0.067 0.000 1.143 103 L HN -0.118 nan 8.230 nan 0.000 0.452 104 K N 5.097 125.477 120.400 -0.033 0.000 2.062 104 K HA 0.093 4.415 4.320 0.002 0.000 0.251 104 K C -0.554 176.028 176.600 -0.032 0.000 1.113 104 K CA -0.116 56.157 56.287 -0.023 0.000 1.096 104 K CB -0.383 32.109 32.500 -0.014 0.000 1.099 104 K HN 0.518 nan 8.250 nan 0.000 0.350 105 L N 4.359 125.561 121.223 -0.035 0.000 2.426 105 L HA 0.062 4.403 4.340 0.002 0.000 0.271 105 L C 0.678 177.549 176.870 0.003 0.000 1.169 105 L CA -0.754 54.056 54.840 -0.049 0.000 0.836 105 L CB 0.789 42.822 42.059 -0.044 0.000 1.112 105 L HN 0.338 nan 8.230 nan 0.000 0.465 106 V N 1.066 120.981 119.914 0.002 0.000 2.644 106 V HA -0.042 4.079 4.120 0.002 0.000 0.305 106 V C 0.486 176.656 176.094 0.126 0.000 1.053 106 V CA -0.494 61.844 62.300 0.063 0.000 1.186 106 V CB 0.289 32.159 31.823 0.078 0.000 0.895 106 V HN 0.966 nan 8.190 nan 0.000 0.490 107 Q N 4.055 123.909 119.800 0.090 0.000 2.398 107 Q HA 0.147 4.488 4.340 0.002 0.000 0.329 107 Q C 1.298 177.368 176.000 0.117 0.000 1.079 107 Q CA 1.112 56.966 55.803 0.085 0.000 1.041 107 Q CB -0.241 28.530 28.738 0.055 0.000 1.084 107 Q HN 2.023 nan 8.270 nan 0.000 0.386 108 G N 3.982 112.848 108.800 0.110 0.000 2.168 108 G HA2 -0.344 3.617 3.960 0.002 0.000 0.257 108 G HA3 -0.344 3.617 3.960 0.002 0.000 0.257 108 G C 0.037 175.035 174.900 0.164 0.000 0.997 108 G CA 0.437 45.600 45.100 0.106 0.000 0.708 108 G HN 0.784 nan 8.290 nan 0.000 0.520 109 F N 0.552 120.563 119.950 0.102 0.000 2.074 109 F HA 0.112 4.640 4.527 0.002 0.000 0.293 109 F C 2.699 178.610 175.800 0.185 0.000 1.116 109 F CA 2.117 60.207 58.000 0.150 0.000 1.212 109 F CB -0.215 38.842 39.000 0.095 0.000 0.998 109 F HN 0.144 nan 8.300 nan 0.000 0.471 110 M N 1.310 121.047 119.600 0.229 0.000 2.113 110 M HA -0.194 4.287 4.480 0.002 0.000 0.255 110 M C -0.261 176.103 176.300 0.107 0.000 1.073 110 M CA 2.261 57.644 55.300 0.137 0.000 1.091 110 M CB -2.882 29.799 32.600 0.135 0.000 1.309 110 M HN 0.139 nan 8.290 nan 0.000 0.407 111 P HA -0.201 nan 4.420 nan 0.000 0.216 111 P C 1.537 178.932 177.300 0.157 0.000 1.150 111 P CA 1.719 64.883 63.100 0.106 0.000 0.837 111 P CB -0.435 31.298 31.700 0.055 0.000 0.786 112 H N -1.361 117.674 119.070 -0.059 0.000 2.293 112 H HA -0.146 4.412 4.556 0.002 0.000 0.300 112 H C 2.120 177.346 175.328 -0.171 0.000 1.082 112 H CA 1.040 57.011 56.048 -0.128 0.000 1.308 112 H CB -0.436 29.213 29.762 -0.189 0.000 1.375 112 H HN -0.078 nan 8.280 nan 0.000 0.495 113 F N 0.818 120.526 119.950 -0.404 0.000 2.043 113 F HA -0.323 4.205 4.527 0.002 0.000 0.297 113 F C 2.326 178.067 175.800 -0.098 0.000 1.118 113 F CA 2.012 59.793 58.000 -0.365 0.000 1.202 113 F CB -0.838 37.955 39.000 -0.345 0.000 0.965 113 F HN 0.219 nan 8.300 nan 0.000 0.482 114 F N 1.056 121.061 119.950 0.091 0.000 2.250 114 F HA -0.181 4.347 4.527 0.001 0.000 0.301 114 F C 2.562 178.314 175.800 -0.080 0.000 1.077 114 F CA 1.753 59.779 58.000 0.043 0.000 1.348 114 F CB -0.513 38.539 39.000 0.087 0.000 1.040 114 F HN -0.061 nan 8.300 nan 0.000 0.509 115 R N -0.053 120.452 120.500 0.009 0.000 2.070 115 R HA -0.175 4.166 4.340 0.002 0.000 0.232 115 R C 1.971 178.091 176.300 -0.299 0.000 1.138 115 R CA 2.101 58.160 56.100 -0.069 0.000 0.936 115 R CB -0.434 29.895 30.300 0.049 0.000 0.839 115 R HN 0.319 nan 8.270 nan 0.000 0.429 116 L N -0.653 120.271 121.223 -0.499 0.000 2.095 116 L HA -0.023 4.318 4.340 0.002 0.000 0.204 116 L C 1.592 177.935 176.870 -0.879 0.000 1.080 116 L CA 1.525 55.895 54.840 -0.784 0.000 0.759 116 L CB -0.321 40.997 42.059 -1.235 0.000 0.914 116 L HN 0.145 nan 8.230 nan 0.000 0.439 117 F N -1.466 118.163 119.950 -0.534 0.000 2.678 117 F HA 0.291 4.819 4.527 0.002 0.000 0.305 117 F C 0.846 176.363 175.800 -0.472 0.000 1.090 117 F CA -0.607 57.085 58.000 -0.515 0.000 1.272 117 F CB -0.063 38.509 39.000 -0.714 0.000 1.060 117 F HN -0.127 nan 8.300 nan 0.000 0.576 118 R N 0.204 120.388 120.500 -0.526 0.000 3.847 118 R HA -0.185 4.156 4.340 0.002 0.000 0.304 118 R C -0.319 175.763 176.300 -0.363 0.000 1.203 118 R CA 0.799 56.446 56.100 -0.756 0.000 0.835 118 R CB -2.601 27.452 30.300 -0.412 0.000 1.253 118 R HN 0.312 nan 8.270 nan 0.000 0.516 119 S N -1.119 114.536 115.700 -0.075 0.000 2.740 119 S HA 0.713 5.184 4.470 0.002 0.000 0.300 119 S C -0.027 174.889 174.600 0.526 0.000 1.147 119 S CA -0.284 58.064 58.200 0.246 0.000 0.871 119 S CB 2.731 66.057 63.200 0.209 0.000 1.173 119 S HN 0.258 nan 8.310 nan 0.000 0.510 120 T N -1.406 113.375 114.554 0.378 0.000 2.900 120 T HA 0.579 4.930 4.350 0.002 0.000 0.295 120 T C -0.714 173.905 174.700 -0.135 0.000 1.044 120 T CA -0.691 61.547 62.100 0.230 0.000 0.995 120 T CB 1.057 70.010 68.868 0.142 0.000 1.072 120 T HN 0.276 nan 8.240 nan 0.000 0.473 121 V N 4.380 124.062 119.914 -0.387 0.000 2.390 121 V HA 0.141 4.262 4.120 0.002 0.000 0.260 121 V C 0.611 176.455 176.094 -0.418 0.000 1.043 121 V CA -0.580 61.398 62.300 -0.538 0.000 1.047 121 V CB -0.634 30.864 31.823 -0.540 0.000 1.066 121 V HN 0.722 nan 8.190 nan 0.000 0.481 122 K N 5.194 125.237 120.400 -0.595 0.000 2.491 122 K HA 0.045 4.366 4.320 0.002 0.000 0.279 122 K C 0.031 176.426 176.600 -0.342 0.000 1.026 122 K CA 0.473 56.414 56.287 -0.575 0.000 1.070 122 K CB 0.212 32.037 32.500 -1.125 0.000 0.887 122 K HN 0.649 nan 8.250 nan 0.000 0.481 123 Q N 1.823 121.490 119.800 -0.222 0.000 2.400 123 Q HA 0.321 4.662 4.340 0.002 0.000 0.255 123 Q C -0.195 175.698 176.000 -0.179 0.000 1.008 123 Q CA -0.709 54.991 55.803 -0.172 0.000 0.841 123 Q CB 1.511 30.170 28.738 -0.132 0.000 1.220 123 Q HN 0.505 nan 8.270 nan 0.000 0.474 124 V N -1.120 118.627 119.914 -0.278 0.000 3.046 124 V HA 0.555 4.676 4.120 0.002 0.000 0.316 124 V C -0.716 175.096 176.094 -0.470 0.000 1.104 124 V CA -1.085 60.987 62.300 -0.379 0.000 1.006 124 V CB 2.268 33.777 31.823 -0.523 0.000 1.058 124 V HN 0.541 nan 8.190 nan 0.000 0.440 125 D N 1.117 121.308 120.400 -0.348 0.000 2.467 125 D HA 0.372 5.013 4.640 0.002 0.000 0.220 125 D C 0.262 176.432 176.300 -0.217 0.000 1.103 125 D CA -0.591 53.274 54.000 -0.225 0.000 0.886 125 D CB 0.402 41.139 40.800 -0.106 0.000 1.025 125 D HN 0.447 nan 8.370 nan 0.000 0.514 126 F N 1.524 121.449 119.950 -0.043 0.000 2.773 126 F HA -0.042 4.485 4.527 0.000 0.000 0.299 126 F C 2.308 178.086 175.800 -0.036 0.000 1.204 126 F CA 0.270 58.240 58.000 -0.050 0.000 1.454 126 F CB -0.240 38.717 39.000 -0.071 0.000 1.117 126 F HN 0.290 nan 8.300 nan 0.000 0.590 127 S N -1.181 114.575 115.700 0.094 0.000 2.436 127 S HA -0.039 4.432 4.470 0.002 0.000 0.228 127 S C 1.065 175.693 174.600 0.046 0.000 1.014 127 S CA 0.579 58.815 58.200 0.060 0.000 0.950 127 S CB -0.064 63.154 63.200 0.030 0.000 0.784 127 S HN 0.208 nan 8.310 nan 0.000 0.504 128 E N 2.150 122.370 120.200 0.033 0.000 2.201 128 E HA 0.193 4.544 4.350 0.002 0.000 0.272 128 E C 1.002 177.633 176.600 0.051 0.000 1.228 128 E CA -0.149 56.268 56.400 0.029 0.000 1.305 128 E CB 0.266 29.971 29.700 0.010 0.000 1.381 128 E HN 0.117 nan 8.360 nan 0.000 0.475 129 V N 1.098 121.053 119.914 0.068 0.000 2.277 129 V HA -0.310 3.811 4.120 0.002 0.000 0.253 129 V C 2.290 178.429 176.094 0.074 0.000 1.067 129 V CA 1.802 64.151 62.300 0.083 0.000 1.047 129 V CB -0.163 31.697 31.823 0.061 0.000 0.649 129 V HN 0.399 nan 8.190 nan 0.000 0.447 130 E N -0.344 119.892 120.200 0.059 0.000 2.077 130 E HA -0.214 4.137 4.350 0.002 0.000 0.193 130 E C 2.326 178.985 176.600 0.099 0.000 0.989 130 E CA 1.318 57.756 56.400 0.063 0.000 0.800 130 E CB -0.270 29.451 29.700 0.036 0.000 0.746 130 E HN 0.465 nan 8.360 nan 0.000 0.452 131 R N 0.904 121.460 120.500 0.094 0.000 2.062 131 R HA -0.000 4.341 4.340 0.002 0.000 0.231 131 R C 2.125 178.504 176.300 0.132 0.000 1.136 131 R CA 1.890 58.075 56.100 0.143 0.000 0.948 131 R CB -0.951 29.400 30.300 0.085 0.000 0.845 131 R HN 0.095 nan 8.270 nan 0.000 0.430 132 A N 0.884 123.725 122.820 0.034 0.000 1.865 132 A HA -0.211 4.111 4.320 0.002 0.000 0.217 132 A C 2.274 179.842 177.584 -0.025 0.000 1.191 132 A CA 1.852 53.855 52.037 -0.057 0.000 0.623 132 A CB -0.772 18.177 19.000 -0.084 0.000 0.826 132 A HN 0.456 nan 8.150 nan 0.000 0.444 133 R N -1.757 118.773 120.500 0.049 0.000 2.154 133 R HA -0.226 4.115 4.340 0.002 0.000 0.248 133 R C 1.872 178.199 176.300 0.044 0.000 1.155 133 R CA 2.175 58.291 56.100 0.027 0.000 0.979 133 R CB -0.421 29.917 30.300 0.062 0.000 0.869 133 R HN 0.575 nan 8.270 nan 0.000 0.452 134 F N 0.698 120.620 119.950 -0.046 0.000 2.179 134 F HA 0.045 4.574 4.527 0.003 0.000 0.292 134 F C 1.816 177.608 175.800 -0.013 0.000 1.089 134 F CA 0.859 58.846 58.000 -0.021 0.000 1.295 134 F CB -0.445 38.560 39.000 0.009 0.000 1.041 134 F HN -0.081 nan 8.300 nan 0.000 0.487 135 I N 0.549 120.934 120.570 -0.309 0.000 2.185 135 I HA -0.380 3.791 4.170 0.002 0.000 0.246 135 I C 2.460 178.444 176.117 -0.222 0.000 1.088 135 I CA 1.795 62.883 61.300 -0.354 0.000 1.347 135 I CB -0.584 37.325 38.000 -0.152 0.000 1.041 135 I HN 0.207 nan 8.210 nan 0.000 0.415 136 I N 0.638 121.026 120.570 -0.304 0.000 2.113 136 I HA -0.319 3.852 4.170 0.002 0.000 0.238 136 I C 2.191 178.235 176.117 -0.123 0.000 1.070 136 I CA 1.924 62.967 61.300 -0.428 0.000 1.332 136 I CB -0.659 36.963 38.000 -0.629 0.000 1.044 136 I HN 0.318 nan 8.210 nan 0.000 0.402 137 N N 0.586 119.203 118.700 -0.137 0.000 2.069 137 N HA -0.271 4.470 4.740 0.002 0.000 0.191 137 N C 1.458 176.977 175.510 0.014 0.000 1.031 137 N CA 1.706 54.722 53.050 -0.057 0.000 0.852 137 N CB -0.261 38.191 38.487 -0.059 0.000 1.018 137 N HN 0.341 nan 8.380 nan 0.000 0.423 138 D N 0.481 120.811 120.400 -0.116 0.000 2.221 138 D HA -0.188 4.453 4.640 0.002 0.000 0.204 138 D C 1.622 177.944 176.300 0.036 0.000 0.982 138 D CA 0.727 54.649 54.000 -0.130 0.000 0.857 138 D CB -0.023 40.419 40.800 -0.596 0.000 0.934 138 D HN 0.392 nan 8.370 nan 0.000 0.475 139 W N 0.541 121.802 121.300 -0.065 0.000 2.407 139 W HA -0.127 4.533 4.660 0.001 0.000 0.305 139 W C 1.546 178.084 176.519 0.031 0.000 1.196 139 W CA 0.720 58.066 57.345 0.002 0.000 1.311 139 W CB -0.502 28.979 29.460 0.034 0.000 1.135 139 W HN -0.150 nan 8.180 nan 0.000 0.514 140 V N 1.854 121.910 119.914 0.237 0.000 2.594 140 V HA -0.302 3.819 4.120 0.002 0.000 0.253 140 V C 2.483 178.620 176.094 0.071 0.000 1.069 140 V CA 2.343 64.738 62.300 0.158 0.000 1.082 140 V CB -0.975 30.953 31.823 0.175 0.000 0.680 140 V HN 0.168 nan 8.190 nan 0.000 0.469 141 K N 0.852 121.289 120.400 0.061 0.000 2.021 141 K HA -0.151 4.170 4.320 0.002 0.000 0.205 141 K C 2.161 178.761 176.600 -0.000 0.000 1.047 141 K CA 1.794 58.105 56.287 0.040 0.000 0.943 141 K CB -0.306 32.231 32.500 0.061 0.000 0.725 141 K HN 0.600 nan 8.250 nan 0.000 0.439 142 T N -1.786 112.765 114.554 -0.005 0.000 3.113 142 T HA -0.053 4.298 4.350 0.002 0.000 0.263 142 T C 0.848 175.408 174.700 -0.233 0.000 1.143 142 T CA 0.969 63.014 62.100 -0.091 0.000 1.090 142 T CB -0.284 68.519 68.868 -0.108 0.000 0.922 142 T HN 0.349 nan 8.240 nan 0.000 0.521 143 H N 0.515 119.397 119.070 -0.313 0.000 3.046 143 H HA 0.264 4.821 4.556 0.002 0.000 0.262 143 H C 1.807 177.074 175.328 -0.102 0.000 1.044 143 H CA 0.774 56.658 56.048 -0.273 0.000 1.209 143 H CB 0.526 30.015 29.762 -0.456 0.000 1.507 143 H HN 0.548 nan 8.280 nan 0.000 0.507 144 T N -1.321 113.257 114.554 0.040 0.000 3.214 144 T HA 0.157 4.508 4.350 0.002 0.000 0.264 144 T C 0.388 175.065 174.700 -0.038 0.000 1.012 144 T CA -0.568 61.565 62.100 0.055 0.000 0.901 144 T CB -0.041 68.879 68.868 0.086 0.000 1.070 144 T HN -0.010 nan 8.240 nan 0.000 0.561 145 K N 0.678 121.037 120.400 -0.068 0.000 3.160 145 K HA -0.213 4.108 4.320 0.002 0.000 0.280 145 K C 1.289 177.810 176.600 -0.131 0.000 1.154 145 K CA 0.825 57.045 56.287 -0.111 0.000 0.822 145 K CB -2.279 30.145 32.500 -0.127 0.000 1.239 145 K HN 1.149 nan 8.250 nan 0.000 0.489 146 G N -0.124 108.620 108.800 -0.093 0.000 2.184 146 G HA2 -0.391 3.570 3.960 0.002 0.000 0.264 146 G HA3 -0.391 3.570 3.960 0.002 0.000 0.264 146 G C 0.874 175.708 174.900 -0.111 0.000 0.975 146 G CA 0.646 45.699 45.100 -0.077 0.000 0.642 146 G HN 0.233 nan 8.290 nan 0.000 0.536 147 M N -0.245 119.235 119.600 -0.201 0.000 2.394 147 M HA 0.297 4.778 4.480 0.002 0.000 0.264 147 M C 1.272 177.521 176.300 -0.084 0.000 1.073 147 M CA 0.955 56.078 55.300 -0.294 0.000 1.111 147 M CB -0.361 31.760 32.600 -0.799 0.000 1.401 147 M HN 0.395 nan 8.290 nan 0.000 0.448 148 I N 0.417 120.985 120.570 -0.003 0.000 2.563 148 I HA 0.087 4.259 4.170 0.002 0.000 0.276 148 I C 0.747 176.913 176.117 0.083 0.000 1.074 148 I CA -0.218 61.127 61.300 0.074 0.000 1.124 148 I CB 1.164 39.236 38.000 0.121 0.000 1.225 148 I HN 0.036 nan 8.210 nan 0.000 0.482 149 S N 2.745 118.502 115.700 0.094 0.000 2.548 149 S HA 0.135 4.606 4.470 0.002 0.000 0.215 149 S C 0.458 175.178 174.600 0.200 0.000 0.976 149 S CA 0.254 58.527 58.200 0.123 0.000 0.908 149 S CB 0.038 63.301 63.200 0.105 0.000 0.781 149 S HN 0.677 nan 8.310 nan 0.000 0.519 150 H N -0.231 118.886 119.070 0.078 0.000 3.086 150 H HA 0.473 5.030 4.556 0.001 0.000 0.353 150 H C -2.070 173.302 175.328 0.074 0.000 1.134 150 H CA -0.727 55.369 56.048 0.080 0.000 1.248 150 H CB 1.285 31.091 29.762 0.074 0.000 1.878 150 H HN 0.167 nan 8.280 nan 0.000 0.527 151 L N 5.457 126.639 121.223 -0.069 0.000 2.313 151 L HA 0.162 4.503 4.340 0.002 0.000 0.283 151 L C 0.972 177.898 176.870 0.094 0.000 1.013 151 L CA -0.831 54.040 54.840 0.052 0.000 0.816 151 L CB 1.672 43.721 42.059 -0.016 0.000 1.236 151 L HN 0.475 nan 8.230 nan 0.000 0.419 152 L N 2.830 124.187 121.223 0.224 0.000 2.275 152 L HA -0.048 4.293 4.340 0.002 0.000 0.215 152 L C 2.368 179.309 176.870 0.117 0.000 1.119 152 L CA 1.601 56.576 54.840 0.224 0.000 0.790 152 L CB -0.825 41.326 42.059 0.154 0.000 0.919 152 L HN 0.845 nan 8.230 nan 0.000 0.443 153 G N -0.702 108.136 108.800 0.065 0.000 2.440 153 G HA2 -0.319 3.642 3.960 0.002 0.000 0.218 153 G HA3 -0.319 3.642 3.960 0.002 0.000 0.218 153 G C 1.644 176.542 174.900 -0.002 0.000 1.154 153 G CA 1.389 46.507 45.100 0.030 0.000 0.767 153 G HN 0.468 nan 8.290 nan 0.000 0.552 154 T N -0.857 113.672 114.554 -0.043 0.000 2.869 154 T HA -0.027 4.324 4.350 0.002 0.000 0.270 154 T C 2.361 177.053 174.700 -0.014 0.000 1.082 154 T CA 1.508 63.565 62.100 -0.071 0.000 1.123 154 T CB -0.689 68.089 68.868 -0.151 0.000 0.856 154 T HN 0.295 nan 8.240 nan 0.000 0.499 155 G N 0.922 109.745 108.800 0.038 0.000 2.537 155 G HA2 0.089 4.050 3.960 0.002 0.000 0.220 155 G HA3 0.089 4.050 3.960 0.002 0.000 0.220 155 G C 1.382 176.298 174.900 0.027 0.000 1.111 155 G CA 0.572 45.709 45.100 0.062 0.000 0.748 155 G HN 0.848 nan 8.290 nan 0.000 0.564 156 A N -0.260 122.562 122.820 0.002 0.000 2.431 156 A HA 0.522 4.844 4.320 0.002 0.000 0.239 156 A C 0.965 178.519 177.584 -0.049 0.000 1.230 156 A CA 0.371 52.399 52.037 -0.016 0.000 0.928 156 A CB 0.089 19.080 19.000 -0.014 0.000 1.006 156 A HN 0.690 nan 8.150 nan 0.000 0.520 157 V N 0.409 120.288 119.914 -0.058 0.000 2.637 157 V HA 0.531 4.652 4.120 0.002 0.000 0.296 157 V C -0.563 175.499 176.094 -0.053 0.000 1.046 157 V CA -0.346 61.892 62.300 -0.105 0.000 1.066 157 V CB 0.840 32.627 31.823 -0.059 0.000 0.968 157 V HN 0.475 nan 8.190 nan 0.000 0.483 158 D N 2.722 123.070 120.400 -0.086 0.000 2.664 158 D HA 0.167 4.808 4.640 0.002 0.000 0.292 158 D C 0.761 177.051 176.300 -0.017 0.000 1.214 158 D CA -0.185 53.798 54.000 -0.027 0.000 0.932 158 D CB 1.601 42.383 40.800 -0.030 0.000 1.420 158 D HN 0.554 nan 8.370 nan 0.000 0.471 159 Q N -0.384 119.426 119.800 0.017 0.000 2.308 159 Q HA -0.110 4.231 4.340 0.002 0.000 0.209 159 Q C 1.508 177.510 176.000 0.003 0.000 0.985 159 Q CA 1.392 57.217 55.803 0.036 0.000 0.881 159 Q CB -0.377 28.378 28.738 0.028 0.000 0.917 159 Q HN 0.472 nan 8.270 nan 0.000 0.443 160 L N 1.098 122.292 121.223 -0.048 0.000 2.567 160 L HA 0.140 4.481 4.340 0.002 0.000 0.225 160 L C 0.475 177.240 176.870 -0.175 0.000 1.119 160 L CA -0.242 54.552 54.840 -0.077 0.000 0.871 160 L CB -0.048 41.978 42.059 -0.056 0.000 1.036 160 L HN 0.080 nan 8.230 nan 0.000 0.459 161 T N 0.282 114.665 114.554 -0.285 0.000 2.946 161 T HA 0.059 4.410 4.350 0.002 0.000 0.311 161 T C 1.065 175.427 174.700 -0.563 0.000 1.063 161 T CA 0.110 61.851 62.100 -0.599 0.000 1.139 161 T CB 1.468 69.647 68.868 -1.149 0.000 0.994 161 T HN 0.170 nan 8.240 nan 0.000 0.547 162 R N 0.615 120.778 120.500 -0.560 0.000 2.437 162 R HA 0.320 4.662 4.340 0.002 0.000 0.184 162 R C -0.506 175.631 176.300 -0.271 0.000 0.850 162 R CA -0.048 55.860 56.100 -0.320 0.000 1.073 162 R CB -0.130 29.954 30.300 -0.360 0.000 1.336 162 R HN 0.434 nan 8.270 nan 0.000 0.640 163 L N 1.250 122.215 121.223 -0.430 0.000 2.409 163 L HA 0.540 4.881 4.340 0.002 0.000 0.272 163 L C -1.358 175.342 176.870 -0.284 0.000 0.980 163 L CA -0.776 53.859 54.840 -0.342 0.000 0.826 163 L CB 2.199 43.924 42.059 -0.556 0.000 1.268 163 L HN -0.230 nan 8.230 nan 0.000 0.407 164 V N 5.587 125.444 119.914 -0.095 0.000 2.656 164 V HA 0.560 4.681 4.120 0.002 0.000 0.307 164 V C -0.598 175.541 176.094 0.074 0.000 1.051 164 V CA -0.679 61.604 62.300 -0.028 0.000 0.893 164 V CB 2.000 33.826 31.823 0.005 0.000 0.999 164 V HN 0.739 nan 8.190 nan 0.000 0.426 165 L N 4.923 126.175 121.223 0.047 0.000 2.362 165 L HA 0.934 5.275 4.340 0.002 0.000 0.271 165 L C -1.461 175.465 176.870 0.093 0.000 1.002 165 L CA -0.397 54.481 54.840 0.063 0.000 0.818 165 L CB 1.999 44.079 42.059 0.035 0.000 1.298 165 L HN 0.510 nan 8.230 nan 0.000 0.420 166 V N 3.110 123.086 119.914 0.103 0.000 2.932 166 V HA 0.525 4.646 4.120 0.002 0.000 0.307 166 V C -1.284 174.870 176.094 0.100 0.000 1.147 166 V CA -0.738 61.631 62.300 0.115 0.000 0.951 166 V CB 2.273 34.200 31.823 0.173 0.000 1.031 166 V HN 0.833 nan 8.190 nan 0.000 0.426 167 N N 1.802 120.559 118.700 0.095 0.000 2.397 167 N HA 0.800 5.541 4.740 0.002 0.000 0.291 167 N C -1.121 174.453 175.510 0.106 0.000 1.065 167 N CA 0.069 53.169 53.050 0.083 0.000 0.884 167 N CB 2.168 40.666 38.487 0.018 0.000 1.551 167 N HN 1.132 nan 8.380 nan 0.000 0.487 168 A N 2.969 125.880 122.820 0.152 0.000 2.455 168 A HA 0.820 5.141 4.320 0.002 0.000 0.300 168 A C -1.595 176.122 177.584 0.222 0.000 1.040 168 A CA -0.514 51.628 52.037 0.176 0.000 0.697 168 A CB 0.888 19.999 19.000 0.184 0.000 1.265 168 A HN 0.551 nan 8.150 nan 0.000 0.407 169 L N 1.160 122.543 121.223 0.267 0.000 2.424 169 L HA 0.622 4.963 4.340 0.002 0.000 0.258 169 L C -1.290 175.803 176.870 0.372 0.000 0.995 169 L CA -0.823 54.238 54.840 0.368 0.000 0.821 169 L CB 2.328 44.699 42.059 0.521 0.000 1.383 169 L HN 0.821 nan 8.230 nan 0.000 0.410 170 Y N 1.962 122.397 120.300 0.225 0.000 2.421 170 Y HA 0.692 5.243 4.550 0.002 0.000 0.339 170 Y C -1.919 174.035 175.900 0.090 0.000 0.996 170 Y CA -1.055 57.102 58.100 0.096 0.000 1.046 170 Y CB 1.866 40.355 38.460 0.049 0.000 1.226 170 Y HN 0.419 nan 8.280 nan 0.000 0.445 171 F N 6.699 125.972 119.950 -1.129 0.000 2.581 171 F HA 0.493 5.021 4.527 0.001 0.000 0.311 171 F C -1.443 173.742 175.800 -1.026 0.000 1.113 171 F CA -0.725 56.683 58.000 -0.987 0.000 0.935 171 F CB 1.718 40.096 39.000 -1.037 0.000 1.232 171 F HN 0.681 nan 8.300 nan 0.000 0.445 172 N N 4.141 121.817 118.700 -1.707 0.000 2.785 172 N HA 0.266 5.007 4.740 0.002 0.000 0.224 172 N C -0.424 174.294 175.510 -1.319 0.000 1.448 172 N CA -0.353 51.924 53.050 -1.289 0.000 0.748 172 N CB 0.563 38.638 38.487 -0.688 0.000 1.385 172 N HN 0.896 nan 8.380 nan 0.000 0.538 173 G N 0.822 108.420 108.800 -2.003 0.000 2.664 173 G HA2 0.088 4.049 3.960 0.002 0.000 0.242 173 G HA3 0.088 4.049 3.960 0.002 0.000 0.242 173 G C -0.321 174.158 174.900 -0.702 0.000 1.225 173 G CA -0.028 44.270 45.100 -1.338 0.000 0.849 173 G HN 0.524 nan 8.290 nan 0.000 0.581 174 Q N -0.124 119.436 119.800 -0.400 0.000 2.340 174 Q HA 0.177 4.518 4.340 0.002 0.000 0.259 174 Q C -0.714 175.380 176.000 0.156 0.000 0.964 174 Q CA -0.344 55.332 55.803 -0.211 0.000 0.900 174 Q CB 1.607 30.153 28.738 -0.320 0.000 1.228 174 Q HN 0.613 nan 8.270 nan 0.000 0.449 175 W N 2.537 123.985 121.300 0.247 0.000 2.231 175 W HA -0.032 4.629 4.660 0.002 0.000 0.341 175 W C 1.536 178.140 176.519 0.142 0.000 1.298 175 W CA -0.157 57.290 57.345 0.170 0.000 1.266 175 W CB 0.643 30.184 29.460 0.135 0.000 1.172 175 W HN 0.669 nan 8.180 nan 0.000 0.568 176 K N 0.552 121.206 120.400 0.424 0.000 2.025 176 K HA -0.077 4.244 4.320 0.002 0.000 0.207 176 K C 0.287 176.972 176.600 0.141 0.000 1.049 176 K CA 1.166 57.602 56.287 0.248 0.000 0.933 176 K CB -0.066 32.530 32.500 0.160 0.000 0.714 176 K HN 0.333 nan 8.250 nan 0.000 0.438 177 T N 3.781 118.372 114.554 0.062 0.000 2.963 177 T HA 0.335 4.686 4.350 0.002 0.000 0.343 177 T C -2.664 171.989 174.700 -0.079 0.000 1.146 177 T CA -1.571 60.486 62.100 -0.071 0.000 1.016 177 T CB 1.710 70.430 68.868 -0.246 0.000 1.046 177 T HN 0.078 nan 8.240 nan 0.000 0.496 178 P HA 0.217 nan 4.420 nan 0.000 0.269 178 P C -0.520 176.800 177.300 0.034 0.000 1.209 178 P CA -0.471 62.736 63.100 0.179 0.000 0.776 178 P CB 0.326 32.142 31.700 0.194 0.000 0.876 179 F N 2.984 122.907 119.950 -0.045 0.000 2.427 179 F HA 0.272 4.800 4.527 0.002 0.000 0.352 179 F C -1.611 174.175 175.800 -0.023 0.000 1.100 179 F CA -2.056 55.904 58.000 -0.067 0.000 1.191 179 F CB -0.398 38.552 39.000 -0.085 0.000 1.128 179 F HN 0.184 nan 8.300 nan 0.000 0.533 180 P HA 0.011 nan 4.420 nan 0.000 0.267 180 P C 0.309 177.652 177.300 0.071 0.000 1.205 180 P CA 0.141 63.274 63.100 0.056 0.000 0.765 180 P CB 0.706 32.410 31.700 0.006 0.000 0.828 181 D N 1.437 121.871 120.400 0.057 0.000 2.117 181 D HA -0.120 4.521 4.640 0.002 0.000 0.197 181 D C 1.363 177.676 176.300 0.020 0.000 0.987 181 D CA 1.567 55.593 54.000 0.043 0.000 0.829 181 D CB -0.290 40.532 40.800 0.036 0.000 0.961 181 D HN 0.409 nan 8.370 nan 0.000 0.460 182 S N -0.199 115.507 115.700 0.010 0.000 2.795 182 S HA 0.016 4.487 4.470 0.002 0.000 0.236 182 S C 1.517 176.101 174.600 -0.027 0.000 0.973 182 S CA 0.262 58.459 58.200 -0.004 0.000 0.982 182 S CB 0.084 63.281 63.200 -0.005 0.000 0.786 182 S HN -0.016 nan 8.310 nan 0.000 0.538 183 S N 0.203 115.881 115.700 -0.036 0.000 2.741 183 S HA 0.129 4.600 4.470 0.002 0.000 0.245 183 S C 0.515 175.016 174.600 -0.166 0.000 1.083 183 S CA -0.199 57.934 58.200 -0.111 0.000 0.873 183 S CB -0.082 63.068 63.200 -0.083 0.000 0.814 183 S HN 0.549 nan 8.310 nan 0.000 0.476 184 T N 4.797 119.324 114.554 -0.044 0.000 2.669 184 T HA -0.012 4.340 4.350 0.002 0.000 0.245 184 T C 0.241 174.999 174.700 0.097 0.000 1.053 184 T CA 0.490 62.603 62.100 0.020 0.000 1.387 184 T CB -1.025 67.862 68.868 0.033 0.000 1.045 184 T HN 0.556 nan 8.240 nan 0.000 0.531 185 H N 1.250 120.335 119.070 0.025 0.000 2.497 185 H HA 0.490 5.047 4.556 0.002 0.000 0.348 185 H C 0.618 175.961 175.328 0.025 0.000 1.335 185 H CA -1.507 54.555 56.048 0.023 0.000 1.395 185 H CB 1.199 30.975 29.762 0.023 0.000 1.658 185 H HN 0.270 nan 8.280 nan 0.000 0.613 186 R N 1.258 121.822 120.500 0.107 0.000 3.785 186 R HA 0.180 4.521 4.340 0.002 0.000 0.255 186 R C -0.420 175.843 176.300 -0.062 0.000 1.485 186 R CA -0.393 55.721 56.100 0.024 0.000 1.555 186 R CB -0.044 30.275 30.300 0.031 0.000 1.362 186 R HN 0.597 nan 8.270 nan 0.000 0.702 187 R N 0.390 120.798 120.500 -0.154 0.000 2.822 187 R HA 0.075 4.416 4.340 0.002 0.000 0.277 187 R C -0.103 176.189 176.300 -0.013 0.000 1.102 187 R CA -0.376 55.627 56.100 -0.161 0.000 1.207 187 R CB 0.396 30.558 30.300 -0.230 0.000 1.139 187 R HN 0.167 nan 8.270 nan 0.000 0.557 188 L N 1.020 122.250 121.223 0.012 0.000 2.334 188 L HA 0.396 4.737 4.340 0.002 0.000 0.277 188 L C -1.134 175.842 176.870 0.176 0.000 1.075 188 L CA 0.052 54.925 54.840 0.056 0.000 0.804 188 L CB 0.929 42.980 42.059 -0.012 0.000 1.174 188 L HN 0.386 nan 8.230 nan 0.000 0.438 189 F N 2.899 122.857 119.950 0.013 0.000 2.520 189 F HA 0.490 5.018 4.527 0.002 0.000 0.322 189 F C -0.745 175.082 175.800 0.045 0.000 1.103 189 F CA -0.475 57.583 58.000 0.097 0.000 0.926 189 F CB 1.060 40.110 39.000 0.083 0.000 1.154 189 F HN 0.561 nan 8.300 nan 0.000 0.453 190 H N 4.446 123.131 119.070 -0.641 0.000 2.519 190 H HA 0.376 4.933 4.556 0.002 0.000 0.316 190 H C -0.425 174.617 175.328 -0.477 0.000 1.065 190 H CA -0.652 55.152 56.048 -0.408 0.000 1.264 190 H CB 0.920 30.491 29.762 -0.318 0.000 1.413 190 H HN 0.447 nan 8.280 nan 0.000 0.465 191 K N 0.853 121.221 120.400 -0.054 0.000 2.102 191 K HA 0.120 4.442 4.320 0.002 0.000 0.244 191 K C 1.092 177.699 176.600 0.010 0.000 1.021 191 K CA 0.012 56.327 56.287 0.047 0.000 0.913 191 K CB 0.869 33.431 32.500 0.104 0.000 1.062 191 K HN 0.676 nan 8.250 nan 0.000 0.485 192 S N -0.310 115.412 115.700 0.035 0.000 2.428 192 S HA -0.194 4.277 4.470 0.002 0.000 0.230 192 S C 1.579 176.189 174.600 0.018 0.000 1.014 192 S CA 1.275 59.486 58.200 0.018 0.000 0.957 192 S CB -0.192 63.025 63.200 0.029 0.000 0.784 192 S HN 0.728 nan 8.310 nan 0.000 0.499 193 D N 2.076 122.493 120.400 0.029 0.000 2.149 193 D HA -0.145 4.496 4.640 0.002 0.000 0.194 193 D C 1.625 177.934 176.300 0.014 0.000 1.001 193 D CA 2.370 56.384 54.000 0.023 0.000 0.849 193 D CB -0.649 40.170 40.800 0.032 0.000 0.939 193 D HN 0.658 nan 8.370 nan 0.000 0.449 194 G N -0.596 108.211 108.800 0.012 0.000 2.699 194 G HA2 -0.232 3.729 3.960 0.002 0.000 0.198 194 G HA3 -0.232 3.729 3.960 0.002 0.000 0.198 194 G C 0.658 175.556 174.900 -0.005 0.000 1.033 194 G CA 0.731 45.836 45.100 0.008 0.000 0.728 194 G HN 0.674 nan 8.290 nan 0.000 0.484 195 S N 0.358 116.054 115.700 -0.008 0.000 2.629 195 S HA 0.628 5.099 4.470 0.002 0.000 0.250 195 S C 0.564 175.124 174.600 -0.068 0.000 1.318 195 S CA 1.525 59.709 58.200 -0.027 0.000 0.970 195 S CB 0.673 63.871 63.200 -0.004 0.000 0.996 195 S HN 2.068 nan 8.310 nan 0.000 0.563 196 T N -3.484 111.029 114.554 -0.069 0.000 2.739 196 T HA 0.679 5.030 4.350 0.002 0.000 0.303 196 T C -0.897 173.800 174.700 -0.007 0.000 1.389 196 T CA -0.362 61.674 62.100 -0.106 0.000 1.001 196 T CB 0.803 69.514 68.868 -0.263 0.000 1.436 196 T HN 2.008 nan 8.240 nan 0.000 0.500 197 V N -2.465 117.473 119.914 0.040 0.000 3.036 197 V HA 0.725 4.846 4.120 0.002 0.000 0.288 197 V C -0.682 175.460 176.094 0.080 0.000 1.407 197 V CA -0.985 61.355 62.300 0.066 0.000 0.983 197 V CB 1.539 33.420 31.823 0.097 0.000 1.128 197 V HN 1.038 nan 8.190 nan 0.000 0.439 198 S N 2.712 118.438 115.700 0.044 0.000 2.399 198 S HA 0.685 5.156 4.470 0.002 0.000 0.301 198 S C 0.012 174.637 174.600 0.042 0.000 1.093 198 S CA -0.233 57.990 58.200 0.039 0.000 1.077 198 S CB 0.724 63.933 63.200 0.014 0.000 0.980 198 S HN 1.532 nan 8.310 nan 0.000 0.494 199 V N 2.496 122.443 119.914 0.054 0.000 2.919 199 V HA 0.749 4.870 4.120 0.002 0.000 0.316 199 V C -3.018 173.100 176.094 0.040 0.000 1.077 199 V CA -3.225 59.095 62.300 0.032 0.000 0.977 199 V CB 1.167 32.988 31.823 -0.004 0.000 1.039 199 V HN 0.379 nan 8.190 nan 0.000 0.441 200 P HA 0.404 nan 4.420 nan 0.000 0.268 200 P C -0.716 176.625 177.300 0.069 0.000 1.205 200 P CA 0.196 63.329 63.100 0.056 0.000 0.771 200 P CB 0.309 32.034 31.700 0.042 0.000 0.858 201 M N 3.113 122.783 119.600 0.116 0.000 2.122 201 M HA 0.313 4.794 4.480 0.002 0.000 0.269 201 M C 0.003 176.396 176.300 0.155 0.000 0.954 201 M CA -0.524 54.849 55.300 0.122 0.000 0.998 201 M CB 1.375 34.056 32.600 0.136 0.000 1.755 201 M HN 0.314 nan 8.290 nan 0.000 0.459 202 M N 1.705 121.312 119.600 0.012 0.000 2.157 202 M HA 0.876 5.357 4.480 0.002 0.000 0.304 202 M C -0.291 176.062 176.300 0.088 0.000 1.171 202 M CA -0.100 55.192 55.300 -0.014 0.000 1.157 202 M CB 0.639 33.110 32.600 -0.215 0.000 1.403 202 M HN 0.678 nan 8.290 nan 0.000 0.473 203 A N 1.420 124.389 122.820 0.249 0.000 2.565 203 A HA 0.561 4.883 4.320 0.002 0.000 0.298 203 A C -1.520 176.175 177.584 0.185 0.000 1.062 203 A CA -0.847 51.346 52.037 0.261 0.000 0.723 203 A CB 1.528 20.570 19.000 0.069 0.000 1.282 203 A HN 0.941 nan 8.150 nan 0.000 0.400 204 Q N 0.212 120.033 119.800 0.035 0.000 2.421 204 Q HA 0.830 5.171 4.340 0.002 0.000 0.280 204 Q C -1.112 174.909 176.000 0.036 0.000 1.085 204 Q CA -0.819 54.916 55.803 -0.114 0.000 0.807 204 Q CB 2.082 30.525 28.738 -0.492 0.000 1.405 204 Q HN 0.435 nan 8.270 nan 0.000 0.419 205 T N 2.466 117.025 114.554 0.008 0.000 2.771 205 T HA 0.604 4.955 4.350 0.002 0.000 0.281 205 T C -0.838 173.845 174.700 -0.029 0.000 0.982 205 T CA -0.528 61.616 62.100 0.073 0.000 0.978 205 T CB 0.674 69.542 68.868 0.000 0.000 0.930 205 T HN 0.610 nan 8.240 nan 0.000 0.447 206 N N 1.328 120.024 118.700 -0.007 0.000 3.355 206 N HA 0.115 4.856 4.740 0.002 0.000 0.238 206 N C -1.543 173.793 175.510 -0.291 0.000 1.466 206 N CA -0.676 52.146 53.050 -0.379 0.000 0.882 206 N CB 1.520 39.462 38.487 -0.908 0.000 1.406 206 N HN 0.360 nan 8.380 nan 0.000 0.500 207 K N 1.786 122.006 120.400 -0.300 0.000 2.187 207 K HA 0.237 4.558 4.320 0.002 0.000 0.242 207 K C -0.485 176.025 176.600 -0.150 0.000 1.179 207 K CA -0.178 56.034 56.287 -0.125 0.000 1.097 207 K CB -0.478 31.968 32.500 -0.089 0.000 1.634 207 K HN 0.209 nan 8.250 nan 0.000 0.335 208 F N 0.989 120.891 119.950 -0.081 0.000 2.553 208 F HA -0.038 4.491 4.527 0.002 0.000 0.356 208 F C 1.265 177.062 175.800 -0.006 0.000 1.142 208 F CA -0.554 57.402 58.000 -0.074 0.000 1.322 208 F CB 0.066 39.011 39.000 -0.091 0.000 1.126 208 F HN 0.319 nan 8.300 nan 0.000 0.599 209 N N 2.437 121.219 118.700 0.138 0.000 2.406 209 N HA 0.029 4.770 4.740 0.002 0.000 0.265 209 N C -1.206 174.403 175.510 0.166 0.000 1.203 209 N CA 0.095 53.208 53.050 0.104 0.000 0.945 209 N CB -0.153 38.352 38.487 0.030 0.000 1.165 209 N HN 0.481 nan 8.380 nan 0.000 0.485 210 Y N 2.476 122.813 120.300 0.062 0.000 2.549 210 Y HA 0.679 5.230 4.550 0.002 0.000 0.339 210 Y C -0.334 175.607 175.900 0.069 0.000 1.053 210 Y CA -0.643 57.490 58.100 0.055 0.000 1.105 210 Y CB 1.887 40.376 38.460 0.048 0.000 1.258 210 Y HN 0.364 nan 8.280 nan 0.000 0.478 211 T N 3.596 117.342 114.554 -1.347 0.000 3.087 211 T HA 0.208 4.559 4.350 0.002 0.000 0.351 211 T C -2.041 172.104 174.700 -0.924 0.000 1.520 211 T CA -0.748 60.795 62.100 -0.929 0.000 1.111 211 T CB 1.043 69.732 68.868 -0.299 0.000 1.353 211 T HN 0.815 nan 8.240 nan 0.000 0.481 212 E N 2.755 122.729 120.200 -0.376 0.000 2.216 212 E HA 0.627 4.979 4.350 0.002 0.000 0.279 212 E C -1.427 175.270 176.600 0.163 0.000 0.997 212 E CA -0.688 55.744 56.400 0.052 0.000 0.817 212 E CB 0.897 30.751 29.700 0.258 0.000 1.096 212 E HN 0.450 nan 8.360 nan 0.000 0.393 213 F N 1.826 121.816 119.950 0.067 0.000 2.577 213 F HA 0.490 5.018 4.527 0.002 0.000 0.318 213 F C -1.153 174.716 175.800 0.115 0.000 1.065 213 F CA -0.437 57.615 58.000 0.087 0.000 0.929 213 F CB 2.304 41.318 39.000 0.022 0.000 1.237 213 F HN 0.240 nan 8.300 nan 0.000 0.468 214 T N 2.808 116.724 114.554 -1.064 0.000 2.881 214 T HA 0.354 4.705 4.350 0.002 0.000 0.291 214 T C -0.561 173.426 174.700 -1.187 0.000 0.990 214 T CA -0.669 60.837 62.100 -0.989 0.000 0.976 214 T CB 1.025 69.443 68.868 -0.751 0.000 0.970 214 T HN 0.781 nan 8.240 nan 0.000 0.438 215 T N 1.287 115.418 114.554 -0.705 0.000 2.926 215 T HA 0.219 4.570 4.350 0.002 0.000 0.307 215 T C -2.002 172.513 174.700 -0.308 0.000 1.059 215 T CA -1.504 60.388 62.100 -0.348 0.000 1.122 215 T CB 0.378 69.215 68.868 -0.051 0.000 0.972 215 T HN 0.120 nan 8.240 nan 0.000 0.545 216 P HA 0.014 nan 4.420 nan 0.000 0.261 216 P C 0.248 177.449 177.300 -0.165 0.000 1.277 216 P CA 0.741 63.755 63.100 -0.144 0.000 0.748 216 P CB -0.197 31.458 31.700 -0.075 0.000 1.062 217 D N -3.656 116.594 120.400 -0.250 0.000 2.712 217 D HA 0.157 4.798 4.640 0.002 0.000 0.300 217 D C 0.882 177.015 176.300 -0.279 0.000 1.521 217 D CA -0.224 53.612 54.000 -0.274 0.000 0.790 217 D CB -0.310 40.285 40.800 -0.342 0.000 1.155 217 D HN 0.099 nan 8.370 nan 0.000 0.456 218 G N 1.049 109.723 108.800 -0.209 0.000 2.132 218 G HA2 -0.228 3.733 3.960 0.002 0.000 0.228 218 G HA3 -0.228 3.733 3.960 0.002 0.000 0.228 218 G C -0.377 174.639 174.900 0.192 0.000 1.000 218 G CA -0.244 44.856 45.100 0.001 0.000 0.693 218 G HN 0.620 nan 8.290 nan 0.000 0.515 219 H N -0.776 118.164 119.070 -0.217 0.000 2.504 219 H HA 0.510 5.067 4.556 0.002 0.000 0.322 219 H C -0.843 174.367 175.328 -0.196 0.000 1.055 219 H CA -0.828 55.211 56.048 -0.015 0.000 1.231 219 H CB 0.918 30.804 29.762 0.207 0.000 1.417 219 H HN 0.226 nan 8.280 nan 0.000 0.472 220 Y N 2.848 123.228 120.300 0.134 0.000 2.342 220 Y HA 0.219 4.770 4.550 0.002 0.000 0.338 220 Y C -0.629 175.385 175.900 0.190 0.000 0.965 220 Y CA -0.848 57.318 58.100 0.111 0.000 1.159 220 Y CB 0.222 38.608 38.460 -0.123 0.000 1.157 220 Y HN 0.530 nan 8.280 nan 0.000 0.486 221 Y N 0.802 121.290 120.300 0.312 0.000 2.567 221 Y HA 0.434 4.985 4.550 0.002 0.000 0.333 221 Y C 0.005 176.093 175.900 0.313 0.000 1.106 221 Y CA -1.567 56.724 58.100 0.318 0.000 1.157 221 Y CB 1.259 39.872 38.460 0.255 0.000 1.277 221 Y HN 0.461 nan 8.280 nan 0.000 0.490 222 D N 1.995 122.629 120.400 0.391 0.000 2.217 222 D HA 0.391 5.032 4.640 0.002 0.000 0.243 222 D C -0.800 175.576 176.300 0.127 0.000 1.054 222 D CA -0.048 54.147 54.000 0.326 0.000 0.838 222 D CB 1.696 42.657 40.800 0.268 0.000 1.162 222 D HN 0.229 nan 8.370 nan 0.000 0.472 223 I N 3.265 123.804 120.570 -0.053 0.000 2.389 223 I HA 0.369 4.540 4.170 0.002 0.000 0.288 223 I C 0.129 176.224 176.117 -0.036 0.000 0.999 223 I CA -0.451 60.716 61.300 -0.221 0.000 1.129 223 I CB 1.385 39.023 38.000 -0.604 0.000 1.288 223 I HN 0.187 nan 8.210 nan 0.000 0.444 224 L N 4.692 125.944 121.223 0.049 0.000 2.303 224 L HA 0.577 4.918 4.340 0.002 0.000 0.266 224 L C -0.126 176.714 176.870 -0.050 0.000 1.011 224 L CA -0.655 54.225 54.840 0.066 0.000 0.818 224 L CB 2.671 44.744 42.059 0.023 0.000 1.326 224 L HN 0.593 nan 8.230 nan 0.000 0.435 225 E N 1.833 121.956 120.200 -0.129 0.000 2.260 225 E HA 0.418 4.769 4.350 0.002 0.000 0.266 225 E C -1.806 174.682 176.600 -0.186 0.000 0.887 225 E CA -0.543 55.596 56.400 -0.435 0.000 0.777 225 E CB 1.585 30.892 29.700 -0.655 0.000 1.205 225 E HN 0.445 nan 8.360 nan 0.000 0.414 226 L N 6.824 127.955 121.223 -0.153 0.000 2.295 226 L HA 0.467 4.808 4.340 0.002 0.000 0.281 226 L C -2.147 174.708 176.870 -0.024 0.000 1.018 226 L CA -2.064 52.724 54.840 -0.086 0.000 0.841 226 L CB 1.298 43.245 42.059 -0.186 0.000 1.218 226 L HN 0.379 nan 8.230 nan 0.000 0.424 227 P HA 0.082 nan 4.420 nan 0.000 0.276 227 P C -1.171 176.259 177.300 0.217 0.000 1.230 227 P CA -0.056 63.095 63.100 0.085 0.000 0.776 227 P CB 0.769 32.492 31.700 0.038 0.000 0.888 228 Y N 1.229 121.748 120.300 0.364 0.000 2.374 228 Y HA 0.155 4.706 4.550 0.002 0.000 0.322 228 Y C 1.777 177.901 175.900 0.374 0.000 1.275 228 Y CA 0.010 58.347 58.100 0.395 0.000 1.307 228 Y CB 0.047 38.710 38.460 0.338 0.000 1.282 228 Y HN 0.527 nan 8.280 nan 0.000 0.509 229 H N -0.605 118.679 119.070 0.356 0.000 3.163 229 H HA 0.097 4.654 4.556 0.002 0.000 0.321 229 H C 1.213 176.649 175.328 0.181 0.000 1.006 229 H CA 0.135 56.320 56.048 0.228 0.000 1.344 229 H CB 0.056 29.941 29.762 0.204 0.000 1.272 229 H HN 0.930 nan 8.280 nan 0.000 0.594 230 G N 2.581 111.398 108.800 0.027 0.000 2.180 230 G HA2 -0.438 3.523 3.960 0.002 0.000 0.263 230 G HA3 -0.438 3.523 3.960 0.002 0.000 0.263 230 G C 0.259 175.117 174.900 -0.069 0.000 0.989 230 G CA 0.784 45.826 45.100 -0.096 0.000 0.692 230 G HN 1.114 nan 8.290 nan 0.000 0.526 231 D N -2.222 118.191 120.400 0.020 0.000 3.018 231 D HA -0.217 4.424 4.640 0.002 0.000 0.224 231 D C 1.645 177.904 176.300 -0.068 0.000 1.185 231 D CA 1.986 55.994 54.000 0.013 0.000 0.858 231 D CB -1.493 39.299 40.800 -0.014 0.000 1.112 231 D HN 0.588 nan 8.370 nan 0.000 0.415 232 T N -0.582 113.882 114.554 -0.149 0.000 2.643 232 T HA -0.040 4.311 4.350 0.002 0.000 0.264 232 T C 1.164 175.688 174.700 -0.293 0.000 1.045 232 T CA 0.730 62.590 62.100 -0.400 0.000 1.155 232 T CB 0.134 68.555 68.868 -0.744 0.000 0.863 232 T HN 0.218 nan 8.240 nan 0.000 0.420 233 L N 0.642 121.848 121.223 -0.029 0.000 2.334 233 L HA 0.565 4.906 4.340 0.002 0.000 0.272 233 L C -0.354 176.772 176.870 0.426 0.000 1.020 233 L CA -0.635 54.313 54.840 0.180 0.000 0.812 233 L CB 1.890 44.101 42.059 0.254 0.000 1.264 233 L HN 0.052 nan 8.230 nan 0.000 0.439 234 S N 1.851 117.819 115.700 0.446 0.000 2.536 234 S HA 0.589 5.060 4.470 0.002 0.000 0.287 234 S C -0.861 174.062 174.600 0.538 0.000 1.101 234 S CA -0.565 57.879 58.200 0.408 0.000 0.950 234 S CB 2.070 65.417 63.200 0.245 0.000 1.056 234 S HN 0.515 nan 8.310 nan 0.000 0.481 235 M N 3.656 123.493 119.600 0.395 0.000 2.088 235 M HA 0.599 5.080 4.480 0.002 0.000 0.346 235 M C -2.047 174.445 176.300 0.321 0.000 1.111 235 M CA -0.190 55.420 55.300 0.517 0.000 1.017 235 M CB -0.184 32.733 32.600 0.529 0.000 1.568 235 M HN 0.455 nan 8.290 nan 0.000 0.445 236 F N 5.855 126.037 119.950 0.386 0.000 2.436 236 F HA 0.604 5.132 4.527 0.002 0.000 0.340 236 F C -0.338 175.663 175.800 0.334 0.000 1.113 236 F CA -0.443 57.746 58.000 0.316 0.000 1.022 236 F CB 1.100 40.311 39.000 0.352 0.000 1.128 236 F HN 0.438 nan 8.300 nan 0.000 0.466 237 I N 3.184 123.961 120.570 0.344 0.000 2.436 237 I HA 0.662 4.833 4.170 0.002 0.000 0.289 237 I C -0.645 175.581 176.117 0.182 0.000 1.010 237 I CA -0.808 60.676 61.300 0.307 0.000 1.098 237 I CB 1.754 39.846 38.000 0.154 0.000 1.266 237 I HN 0.640 nan 8.210 nan 0.000 0.434 238 A N 5.259 128.213 122.820 0.224 0.000 2.359 238 A HA 0.947 5.269 4.320 0.002 0.000 0.303 238 A C -0.934 176.852 177.584 0.337 0.000 1.066 238 A CA -0.460 51.655 52.037 0.130 0.000 0.730 238 A CB 1.619 20.541 19.000 -0.130 0.000 1.211 238 A HN 0.822 nan 8.150 nan 0.000 0.439 239 A N 3.676 126.695 122.820 0.332 0.000 2.520 239 A HA 0.922 5.243 4.320 0.002 0.000 0.298 239 A C -3.163 174.509 177.584 0.147 0.000 1.051 239 A CA -1.596 50.620 52.037 0.298 0.000 0.690 239 A CB 1.498 20.633 19.000 0.225 0.000 1.281 239 A HN 0.578 nan 8.150 nan 0.000 0.402 240 P HA 0.066 nan 4.420 nan 0.000 0.270 240 P C -0.064 177.218 177.300 -0.029 0.000 1.223 240 P CA 0.266 63.178 63.100 -0.313 0.000 0.785 240 P CB 0.671 32.080 31.700 -0.484 0.000 0.923 241 Y N 0.131 120.366 120.300 -0.108 0.000 2.084 241 Y HA -0.119 4.432 4.550 0.002 0.000 0.279 241 Y C 1.845 177.687 175.900 -0.096 0.000 1.119 241 Y CA 1.692 59.756 58.100 -0.060 0.000 1.101 241 Y CB -0.516 37.925 38.460 -0.033 0.000 0.989 241 Y HN 0.324 nan 8.280 nan 0.000 0.484 242 E N 0.816 121.071 120.200 0.091 0.000 2.421 242 E HA 0.083 4.434 4.350 0.002 0.000 0.253 242 E C 0.050 176.606 176.600 -0.073 0.000 1.277 242 E CA -0.041 56.351 56.400 -0.012 0.000 0.968 242 E CB 0.415 30.101 29.700 -0.023 0.000 1.040 242 E HN 0.260 nan 8.360 nan 0.000 0.512 243 K N 0.310 120.657 120.400 -0.088 0.000 2.918 243 K HA 0.053 4.374 4.320 0.002 0.000 0.318 243 K C 0.675 177.225 176.600 -0.084 0.000 0.995 243 K CA -0.684 55.543 56.287 -0.101 0.000 1.187 243 K CB 0.282 32.720 32.500 -0.103 0.000 1.413 243 K HN 0.277 nan 8.250 nan 0.000 0.556 244 E N -1.228 118.931 120.200 -0.068 0.000 4.510 244 E HA -0.255 4.096 4.350 0.002 0.000 0.189 244 E C 0.289 176.840 176.600 -0.082 0.000 1.322 244 E CA 1.608 57.972 56.400 -0.061 0.000 2.269 244 E CB -1.919 27.747 29.700 -0.055 0.000 1.885 244 E HN 0.330 nan 8.360 nan 0.000 0.337 245 V N 4.997 124.836 119.914 -0.125 0.000 2.810 245 V HA -0.115 4.006 4.120 0.002 0.000 0.290 245 V C -1.944 174.069 176.094 -0.134 0.000 1.029 245 V CA 0.563 62.742 62.300 -0.202 0.000 1.219 245 V CB -0.790 30.875 31.823 -0.262 0.000 0.829 245 V HN 0.126 nan 8.190 nan 0.000 0.457 246 P HA 0.040 nan 4.420 nan 0.000 0.266 246 P C 0.586 177.956 177.300 0.117 0.000 1.215 246 P CA -0.317 62.795 63.100 0.021 0.000 0.763 246 P CB 0.655 32.384 31.700 0.048 0.000 0.806 247 L N 3.889 125.196 121.223 0.140 0.000 2.353 247 L HA -0.152 4.189 4.340 0.002 0.000 0.220 247 L C 2.167 179.215 176.870 0.296 0.000 1.133 247 L CA 1.672 56.674 54.840 0.270 0.000 0.798 247 L CB -1.084 41.096 42.059 0.202 0.000 0.922 247 L HN 0.323 nan 8.230 nan 0.000 0.445 248 S N -0.421 115.396 115.700 0.196 0.000 2.365 248 S HA -0.304 4.167 4.470 0.002 0.000 0.221 248 S C 2.283 177.009 174.600 0.211 0.000 1.037 248 S CA 1.756 60.049 58.200 0.155 0.000 1.060 248 S CB -0.627 62.636 63.200 0.104 0.000 0.974 248 S HN 0.690 nan 8.310 nan 0.000 0.427 249 A N 1.518 124.519 122.820 0.301 0.000 1.957 249 A HA -0.234 4.087 4.320 0.002 0.000 0.224 249 A C 2.191 179.931 177.584 0.260 0.000 1.287 249 A CA 2.300 54.561 52.037 0.374 0.000 0.682 249 A CB -1.332 18.115 19.000 0.746 0.000 0.833 249 A HN 0.608 nan 8.150 nan 0.000 0.482 250 L N -0.038 121.312 121.223 0.211 0.000 1.948 250 L HA -0.136 4.205 4.340 0.002 0.000 0.212 250 L C 2.936 179.862 176.870 0.094 0.000 1.074 250 L CA 3.240 58.074 54.840 -0.009 0.000 0.753 250 L CB -1.270 40.590 42.059 -0.332 0.000 0.888 250 L HN 0.640 nan 8.230 nan 0.000 0.432 251 T N -2.644 111.987 114.554 0.129 0.000 2.896 251 T HA -0.214 4.137 4.350 0.002 0.000 0.270 251 T C 1.681 176.418 174.700 0.062 0.000 1.104 251 T CA 1.582 63.760 62.100 0.129 0.000 1.115 251 T CB -0.811 68.152 68.868 0.158 0.000 0.843 251 T HN 0.418 nan 8.240 nan 0.000 0.523 252 N N 1.679 120.412 118.700 0.055 0.000 2.300 252 N HA 0.049 4.790 4.740 0.002 0.000 0.179 252 N C 1.282 176.801 175.510 0.014 0.000 1.016 252 N CA 1.317 54.380 53.050 0.023 0.000 0.876 252 N CB -0.082 38.426 38.487 0.035 0.000 0.979 252 N HN 0.702 nan 8.380 nan 0.000 0.432 253 I N -1.611 118.976 120.570 0.028 0.000 3.856 253 I HA 0.283 4.454 4.170 0.002 0.000 0.330 253 I C -0.151 175.951 176.117 -0.025 0.000 1.546 253 I CA -0.805 60.501 61.300 0.009 0.000 1.132 253 I CB -0.226 37.794 38.000 0.034 0.000 1.157 253 I HN -0.232 nan 8.210 nan 0.000 0.440 254 L N 1.832 123.038 121.223 -0.028 0.000 2.433 254 L HA 0.554 4.895 4.340 0.002 0.000 0.275 254 L C 0.020 176.808 176.870 -0.137 0.000 1.128 254 L CA 0.836 55.618 54.840 -0.097 0.000 0.875 254 L CB 0.058 42.114 42.059 -0.006 0.000 1.171 254 L HN 0.364 nan 8.230 nan 0.000 0.463 255 S N 2.758 118.317 115.700 -0.235 0.000 2.661 255 S HA 0.662 5.133 4.470 0.002 0.000 0.285 255 S C 0.895 175.319 174.600 -0.293 0.000 1.138 255 S CA -0.201 57.876 58.200 -0.205 0.000 0.855 255 S CB 1.645 64.757 63.200 -0.145 0.000 1.136 255 S HN 0.719 nan 8.310 nan 0.000 0.484 256 A N 0.584 123.240 122.820 -0.274 0.000 1.972 256 A HA -0.152 4.170 4.320 0.002 0.000 0.219 256 A C 1.978 179.367 177.584 -0.324 0.000 1.169 256 A CA 1.973 53.781 52.037 -0.382 0.000 0.635 256 A CB -0.667 17.946 19.000 -0.645 0.000 0.810 256 A HN 0.684 nan 8.150 nan 0.000 0.446 257 Q N -0.658 119.025 119.800 -0.196 0.000 1.990 257 Q HA -0.115 4.226 4.340 0.002 0.000 0.200 257 Q C 1.888 177.732 176.000 -0.259 0.000 0.980 257 Q CA 1.637 57.373 55.803 -0.112 0.000 0.832 257 Q CB -0.571 28.137 28.738 -0.050 0.000 0.897 257 Q HN 0.460 nan 8.270 nan 0.000 0.427 258 L N 0.359 121.350 121.223 -0.386 0.000 2.034 258 L HA -0.251 4.090 4.340 0.002 0.000 0.217 258 L C 2.057 178.303 176.870 -1.041 0.000 1.077 258 L CA 1.964 56.406 54.840 -0.663 0.000 0.769 258 L CB -0.721 40.867 42.059 -0.785 0.000 0.890 258 L HN 0.455 nan 8.230 nan 0.000 0.435 259 I N -1.443 118.525 120.570 -1.004 0.000 2.127 259 I HA -0.327 3.844 4.170 0.002 0.000 0.241 259 I C 2.321 178.140 176.117 -0.496 0.000 1.075 259 I CA 1.582 62.312 61.300 -0.951 0.000 1.334 259 I CB -0.658 36.899 38.000 -0.738 0.000 1.040 259 I HN 0.200 nan 8.210 nan 0.000 0.405 260 S N -0.628 114.882 115.700 -0.317 0.000 2.440 260 S HA -0.252 4.219 4.470 0.002 0.000 0.238 260 S C 1.872 176.455 174.600 -0.030 0.000 1.010 260 S CA 1.349 59.476 58.200 -0.122 0.000 0.972 260 S CB -0.491 62.674 63.200 -0.057 0.000 0.774 260 S HN 0.506 nan 8.310 nan 0.000 0.501 261 H N -0.174 118.774 119.070 -0.203 0.000 2.415 261 H HA 0.035 4.592 4.556 0.002 0.000 0.297 261 H C 1.648 177.005 175.328 0.048 0.000 1.048 261 H CA 1.204 57.195 56.048 -0.095 0.000 1.365 261 H CB -0.111 29.561 29.762 -0.150 0.000 1.421 261 H HN 0.327 nan 8.280 nan 0.000 0.533 262 W N 1.479 122.683 121.300 -0.161 0.000 2.354 262 W HA -0.066 4.595 4.660 0.001 0.000 0.315 262 W C 2.311 178.803 176.519 -0.044 0.000 1.206 262 W CA 1.061 58.310 57.345 -0.161 0.000 1.290 262 W CB -1.008 28.376 29.460 -0.128 0.000 1.152 262 W HN 0.224 nan 8.180 nan 0.000 0.489 263 K N 0.504 121.074 120.400 0.283 0.000 2.442 263 K HA -0.095 4.226 4.320 0.002 0.000 0.199 263 K C 1.990 178.664 176.600 0.123 0.000 1.044 263 K CA 1.235 57.682 56.287 0.268 0.000 0.941 263 K CB -0.436 32.221 32.500 0.263 0.000 0.759 263 K HN 0.087 nan 8.250 nan 0.000 0.472 264 G N 1.757 110.584 108.800 0.046 0.000 2.556 264 G HA2 -0.245 3.716 3.960 0.002 0.000 0.215 264 G HA3 -0.245 3.716 3.960 0.002 0.000 0.215 264 G C 0.765 175.662 174.900 -0.005 0.000 1.258 264 G CA 0.767 45.865 45.100 -0.002 0.000 0.811 264 G HN 0.510 nan 8.290 nan 0.000 0.557 265 N N 0.679 119.348 118.700 -0.052 0.000 2.575 265 N HA 0.182 4.924 4.740 0.002 0.000 0.275 265 N C 0.231 175.741 175.510 -0.001 0.000 1.202 265 N CA -0.081 52.959 53.050 -0.017 0.000 0.945 265 N CB 0.263 38.735 38.487 -0.025 0.000 1.247 265 N HN 0.298 nan 8.380 nan 0.000 0.510 266 M N 0.841 120.454 119.600 0.022 0.000 2.283 266 M HA 0.233 4.714 4.480 0.002 0.000 0.314 266 M C 0.057 176.381 176.300 0.040 0.000 1.153 266 M CA 0.035 55.347 55.300 0.020 0.000 1.084 266 M CB 1.373 34.008 32.600 0.058 0.000 1.468 266 M HN 0.162 nan 8.290 nan 0.000 0.474 267 T N -0.843 113.748 114.554 0.061 0.000 3.071 267 T HA 0.441 4.792 4.350 0.002 0.000 0.311 267 T C -0.664 174.098 174.700 0.103 0.000 1.042 267 T CA -1.143 61.002 62.100 0.076 0.000 1.028 267 T CB 0.934 69.850 68.868 0.080 0.000 1.068 267 T HN 0.644 nan 8.240 nan 0.000 0.451 268 R N 2.315 122.855 120.500 0.066 0.000 2.480 268 R HA 0.426 4.767 4.340 0.002 0.000 0.303 268 R C -0.402 175.937 176.300 0.065 0.000 0.985 268 R CA 0.103 56.234 56.100 0.052 0.000 1.051 268 R CB -0.061 30.240 30.300 0.002 0.000 0.935 268 R HN 0.562 nan 8.270 nan 0.000 0.410 269 L N 5.116 126.396 121.223 0.094 0.000 2.422 269 L HA 0.479 4.820 4.340 0.002 0.000 0.264 269 L C -2.267 174.642 176.870 0.065 0.000 0.984 269 L CA -2.691 52.195 54.840 0.077 0.000 0.819 269 L CB 2.725 44.847 42.059 0.105 0.000 1.330 269 L HN 0.432 nan 8.230 nan 0.000 0.410 270 P HA 0.248 nan 4.420 nan 0.000 0.271 270 P C -1.142 176.177 177.300 0.031 0.000 1.226 270 P CA -0.081 63.033 63.100 0.024 0.000 0.765 270 P CB 0.889 32.587 31.700 -0.003 0.000 0.835 271 R N 1.698 122.249 120.500 0.084 0.000 2.690 271 R HA 0.415 4.756 4.340 0.002 0.000 0.269 271 R C -1.138 175.187 176.300 0.041 0.000 1.037 271 R CA -1.203 54.907 56.100 0.016 0.000 0.877 271 R CB 1.163 31.415 30.300 -0.080 0.000 1.255 271 R HN 0.313 nan 8.270 nan 0.000 0.467 272 L N 2.705 123.899 121.223 -0.048 0.000 2.255 272 L HA 0.380 4.721 4.340 0.002 0.000 0.289 272 L C -1.171 175.608 176.870 -0.151 0.000 1.046 272 L CA -0.408 54.401 54.840 -0.051 0.000 0.816 272 L CB 0.791 42.827 42.059 -0.038 0.000 1.197 272 L HN 0.483 nan 8.230 nan 0.000 0.427 273 L N 6.710 127.789 121.223 -0.239 0.000 2.265 273 L HA 0.535 4.876 4.340 0.002 0.000 0.288 273 L C -0.882 175.922 176.870 -0.110 0.000 1.058 273 L CA 0.049 54.671 54.840 -0.363 0.000 0.809 273 L CB 1.378 42.924 42.059 -0.856 0.000 1.179 273 L HN 0.413 nan 8.230 nan 0.000 0.429 274 V N 6.956 126.823 119.914 -0.078 0.000 2.334 274 V HA 0.444 4.565 4.120 0.002 0.000 0.281 274 V C -0.625 175.455 176.094 -0.023 0.000 1.016 274 V CA -0.500 61.816 62.300 0.027 0.000 0.832 274 V CB 1.305 33.174 31.823 0.075 0.000 0.999 274 V HN 0.655 nan 8.190 nan 0.000 0.439 275 L N 9.175 130.383 121.223 -0.025 0.000 2.372 275 L HA 0.719 5.060 4.340 0.002 0.000 0.274 275 L C -2.479 174.354 176.870 -0.061 0.000 0.988 275 L CA -1.922 52.852 54.840 -0.110 0.000 0.833 275 L CB 2.426 44.380 42.059 -0.177 0.000 1.236 275 L HN 0.346 nan 8.230 nan 0.000 0.410 276 P HA 0.038 nan 4.420 nan 0.000 0.266 276 P C -1.029 176.370 177.300 0.164 0.000 1.195 276 P CA -0.010 63.146 63.100 0.093 0.000 0.768 276 P CB 0.589 32.353 31.700 0.106 0.000 0.838 277 K N 2.783 123.230 120.400 0.080 0.000 2.202 277 K HA 0.453 4.774 4.320 0.002 0.000 0.264 277 K C 0.050 176.761 176.600 0.186 0.000 1.010 277 K CA 0.069 56.372 56.287 0.026 0.000 0.940 277 K CB 0.171 32.651 32.500 -0.033 0.000 0.983 277 K HN 0.525 nan 8.250 nan 0.000 0.475 278 F N -2.577 117.355 119.950 -0.031 0.000 2.639 278 F HA 0.344 4.872 4.527 0.001 0.000 0.320 278 F C -1.283 174.491 175.800 -0.043 0.000 1.128 278 F CA -0.880 57.104 58.000 -0.027 0.000 1.037 278 F CB 1.302 40.304 39.000 0.004 0.000 1.288 278 F HN 0.189 nan 8.300 nan 0.000 0.463 279 S N 4.829 120.588 115.700 0.099 0.000 2.733 279 S HA 0.748 5.219 4.470 0.002 0.000 0.307 279 S C -0.714 173.964 174.600 0.130 0.000 1.127 279 S CA -0.605 57.612 58.200 0.028 0.000 1.097 279 S CB 0.807 64.001 63.200 -0.010 0.000 1.003 279 S HN 0.623 nan 8.310 nan 0.000 0.477 280 L N 2.342 123.674 121.223 0.182 0.000 2.313 280 L HA 0.710 5.051 4.340 0.002 0.000 0.268 280 L C 0.073 177.039 176.870 0.159 0.000 1.010 280 L CA -0.742 54.211 54.840 0.189 0.000 0.814 280 L CB 1.516 43.733 42.059 0.263 0.000 1.304 280 L HN 0.505 nan 8.230 nan 0.000 0.441 281 E N 0.232 120.524 120.200 0.153 0.000 2.308 281 E HA 0.572 4.923 4.350 0.002 0.000 0.275 281 E C -1.770 174.925 176.600 0.158 0.000 0.890 281 E CA -0.396 56.094 56.400 0.150 0.000 0.754 281 E CB 2.443 32.218 29.700 0.124 0.000 1.207 281 E HN 0.608 nan 8.360 nan 0.000 0.426 282 T N 2.842 117.500 114.554 0.174 0.000 2.933 282 T HA 0.343 4.695 4.350 0.002 0.000 0.305 282 T C -1.501 173.301 174.700 0.169 0.000 1.092 282 T CA -0.755 61.453 62.100 0.180 0.000 1.008 282 T CB 1.619 70.628 68.868 0.235 0.000 1.102 282 T HN 0.518 nan 8.240 nan 0.000 0.469 283 E N 2.101 122.393 120.200 0.154 0.000 2.302 283 E HA 0.548 4.900 4.350 0.002 0.000 0.263 283 E C -1.055 175.629 176.600 0.139 0.000 0.897 283 E CA -0.786 55.697 56.400 0.139 0.000 0.809 283 E CB 1.234 31.007 29.700 0.122 0.000 1.270 283 E HN 0.527 nan 8.360 nan 0.000 0.410 284 V N 1.411 121.419 119.914 0.158 0.000 2.547 284 V HA 0.541 4.662 4.120 0.002 0.000 0.299 284 V C -0.397 175.773 176.094 0.127 0.000 1.040 284 V CA -0.753 61.644 62.300 0.161 0.000 0.913 284 V CB 1.776 33.755 31.823 0.259 0.000 0.992 284 V HN 0.733 nan 8.190 nan 0.000 0.449 285 D N 3.391 123.847 120.400 0.092 0.000 2.500 285 D HA 0.326 4.967 4.640 0.002 0.000 0.219 285 D C 1.069 177.405 176.300 0.059 0.000 1.137 285 D CA -0.232 53.809 54.000 0.069 0.000 0.946 285 D CB 0.287 41.107 40.800 0.033 0.000 1.022 285 D HN 0.631 nan 8.370 nan 0.000 0.518 286 L N 2.177 123.468 121.223 0.114 0.000 2.683 286 L HA -0.206 4.135 4.340 0.002 0.000 0.236 286 L C 2.563 179.440 176.870 0.012 0.000 1.179 286 L CA 0.456 55.374 54.840 0.130 0.000 0.822 286 L CB -0.526 41.662 42.059 0.215 0.000 0.952 286 L HN 0.419 nan 8.230 nan 0.000 0.455 287 R N 1.058 121.476 120.500 -0.136 0.000 2.088 287 R HA -0.197 4.144 4.340 0.002 0.000 0.232 287 R C 2.203 178.192 176.300 -0.518 0.000 1.136 287 R CA 1.930 57.669 56.100 -0.601 0.000 0.926 287 R CB -0.264 29.751 30.300 -0.475 0.000 0.837 287 R HN 0.345 nan 8.270 nan 0.000 0.429 288 K N -0.431 119.810 120.400 -0.266 0.000 2.025 288 K HA -0.070 4.251 4.320 0.002 0.000 0.207 288 K C -0.764 175.759 176.600 -0.127 0.000 1.049 288 K CA 1.197 57.372 56.287 -0.186 0.000 0.933 288 K CB -0.815 31.614 32.500 -0.117 0.000 0.714 288 K HN 0.153 nan 8.250 nan 0.000 0.438 289 P HA -0.172 nan 4.420 nan 0.000 0.216 289 P C 1.120 178.406 177.300 -0.023 0.000 1.150 289 P CA 1.277 64.342 63.100 -0.059 0.000 0.843 289 P CB 0.065 31.747 31.700 -0.031 0.000 0.787 290 L N -0.959 120.275 121.223 0.018 0.000 2.156 290 L HA -0.111 4.230 4.340 0.002 0.000 0.208 290 L C 2.334 179.277 176.870 0.122 0.000 1.095 290 L CA 1.309 56.232 54.840 0.139 0.000 0.770 290 L CB -0.764 41.491 42.059 0.327 0.000 0.914 290 L HN 0.011 nan 8.230 nan 0.000 0.439 291 E N 0.388 120.592 120.200 0.006 0.000 2.106 291 E HA -0.192 4.159 4.350 0.002 0.000 0.192 291 E C 1.724 178.337 176.600 0.021 0.000 0.984 291 E CA 1.108 57.520 56.400 0.020 0.000 0.806 291 E CB -0.135 29.521 29.700 -0.073 0.000 0.750 291 E HN 0.570 nan 8.360 nan 0.000 0.458 292 N N 0.348 119.043 118.700 -0.009 0.000 2.364 292 N HA -0.099 4.642 4.740 0.002 0.000 0.183 292 N C 1.151 176.667 175.510 0.009 0.000 1.022 292 N CA 0.392 53.434 53.050 -0.013 0.000 0.883 292 N CB 0.094 38.556 38.487 -0.041 0.000 0.965 292 N HN 0.112 nan 8.380 nan 0.000 0.438 293 L N -0.517 120.729 121.223 0.037 0.000 2.653 293 L HA 0.248 4.590 4.340 0.002 0.000 0.231 293 L C 1.405 178.334 176.870 0.097 0.000 1.153 293 L CA -0.091 54.789 54.840 0.067 0.000 0.933 293 L CB 0.260 42.372 42.059 0.089 0.000 1.175 293 L HN 0.219 nan 8.230 nan 0.000 0.473 294 G N 0.185 109.034 108.800 0.082 0.000 2.345 294 G HA2 -0.307 3.654 3.960 0.002 0.000 0.218 294 G HA3 -0.307 3.654 3.960 0.002 0.000 0.218 294 G C 0.459 175.420 174.900 0.102 0.000 1.058 294 G CA -0.281 44.867 45.100 0.080 0.000 0.632 294 G HN 0.231 nan 8.290 nan 0.000 0.508 295 M N 3.358 123.046 119.600 0.146 0.000 3.102 295 M HA 0.313 4.794 4.480 0.002 0.000 0.269 295 M C 1.663 178.127 176.300 0.273 0.000 1.551 295 M CA 1.178 56.584 55.300 0.177 0.000 1.629 295 M CB 0.122 32.852 32.600 0.217 0.000 1.324 295 M HN 0.476 nan 8.290 nan 0.000 0.509 296 T N -3.879 110.795 114.554 0.200 0.000 2.978 296 T HA 0.072 4.423 4.350 0.002 0.000 0.248 296 T C 1.094 175.932 174.700 0.229 0.000 1.018 296 T CA 0.013 62.263 62.100 0.251 0.000 1.026 296 T CB 0.134 69.081 68.868 0.132 0.000 1.032 296 T HN 0.337 nan 8.240 nan 0.000 0.485 297 D N 2.791 123.260 120.400 0.116 0.000 2.123 297 D HA -0.099 4.542 4.640 0.002 0.000 0.196 297 D C 2.172 178.506 176.300 0.057 0.000 0.992 297 D CA 1.681 55.719 54.000 0.065 0.000 0.833 297 D CB -0.531 40.274 40.800 0.008 0.000 0.954 297 D HN 0.657 nan 8.370 nan 0.000 0.455 298 M N -1.417 118.178 119.600 -0.009 0.000 2.260 298 M HA -0.136 4.346 4.480 0.002 0.000 0.261 298 M C 1.215 177.436 176.300 -0.132 0.000 1.066 298 M CA 1.585 56.844 55.300 -0.069 0.000 1.082 298 M CB -0.666 31.772 32.600 -0.269 0.000 1.388 298 M HN -0.101 nan 8.290 nan 0.000 0.419 299 F N -0.010 120.013 119.950 0.121 0.000 2.746 299 F HA 0.332 4.859 4.527 0.001 0.000 0.297 299 F C 0.934 176.698 175.800 -0.060 0.000 1.113 299 F CA -0.413 57.632 58.000 0.075 0.000 1.367 299 F CB 0.014 39.044 39.000 0.049 0.000 1.111 299 F HN 0.023 nan 8.300 nan 0.000 0.590 300 R N 1.494 122.032 120.500 0.064 0.000 2.221 300 R HA 0.125 4.466 4.340 0.002 0.000 0.327 300 R C 1.302 177.445 176.300 -0.262 0.000 1.033 300 R CA -0.065 55.988 56.100 -0.078 0.000 0.887 300 R CB 0.602 30.915 30.300 0.021 0.000 1.057 300 R HN 0.229 nan 8.270 nan 0.000 0.455 301 Q N 2.991 122.444 119.800 -0.579 0.000 2.112 301 Q HA -0.178 4.163 4.340 0.002 0.000 0.206 301 Q C -0.116 175.565 176.000 -0.532 0.000 0.987 301 Q CA 1.826 57.163 55.803 -0.776 0.000 0.858 301 Q CB 0.039 28.241 28.738 -0.893 0.000 0.905 301 Q HN 0.667 nan 8.270 nan 0.000 0.420 302 F N -0.546 119.373 119.950 -0.052 0.000 2.750 302 F HA 0.277 4.805 4.527 0.002 0.000 0.297 302 F C 1.045 176.847 175.800 0.003 0.000 1.138 302 F CA -0.150 57.847 58.000 -0.004 0.000 1.346 302 F CB 0.650 39.646 39.000 -0.006 0.000 0.965 302 F HN 0.076 nan 8.300 nan 0.000 0.514 303 Q N -0.221 119.643 119.800 0.107 0.000 2.237 303 Q HA 0.363 4.704 4.340 0.002 0.000 0.254 303 Q C 0.907 176.938 176.000 0.052 0.000 0.771 303 Q CA -0.086 55.765 55.803 0.079 0.000 0.958 303 Q CB 0.708 29.486 28.738 0.066 0.000 1.202 303 Q HN 0.214 nan 8.270 nan 0.000 0.492 304 A N 1.844 124.702 122.820 0.063 0.000 2.483 304 A HA 0.096 4.417 4.320 0.002 0.000 0.238 304 A C -0.276 177.357 177.584 0.081 0.000 1.070 304 A CA 0.498 52.597 52.037 0.104 0.000 0.770 304 A CB 0.201 19.370 19.000 0.281 0.000 1.008 304 A HN 0.141 nan 8.150 nan 0.000 0.497 305 D N 1.833 122.184 120.400 -0.082 0.000 2.389 305 D HA 0.405 5.046 4.640 0.002 0.000 0.256 305 D C -1.324 174.783 176.300 -0.322 0.000 1.239 305 D CA -0.194 53.737 54.000 -0.115 0.000 0.925 305 D CB 0.251 40.973 40.800 -0.130 0.000 1.145 305 D HN 0.284 nan 8.370 nan 0.000 0.542 306 F N 1.541 121.450 119.950 -0.069 0.000 2.850 306 F HA 0.083 4.612 4.527 0.003 0.000 0.306 306 F C 2.307 178.039 175.800 -0.114 0.000 1.162 306 F CA -0.270 57.668 58.000 -0.104 0.000 1.327 306 F CB 0.610 39.525 39.000 -0.143 0.000 0.953 306 F HN 0.245 nan 8.300 nan 0.000 0.507 307 T N -3.950 110.616 114.554 0.019 0.000 2.897 307 T HA -0.177 4.174 4.350 0.002 0.000 0.271 307 T C 1.991 176.687 174.700 -0.007 0.000 1.084 307 T CA 1.767 63.870 62.100 0.005 0.000 1.123 307 T CB -0.307 68.562 68.868 0.002 0.000 0.865 307 T HN 0.170 nan 8.240 nan 0.000 0.496 308 S N 0.594 116.289 115.700 -0.008 0.000 2.522 308 S HA 0.213 4.684 4.470 0.002 0.000 0.227 308 S C 1.527 176.086 174.600 -0.069 0.000 0.986 308 S CA 0.561 58.788 58.200 0.045 0.000 0.929 308 S CB -0.150 63.112 63.200 0.103 0.000 0.769 308 S HN 0.483 nan 8.310 nan 0.000 0.529 309 L N -0.000 121.059 121.223 -0.272 0.000 2.433 309 L HA 0.442 4.783 4.340 0.002 0.000 0.200 309 L C 0.434 177.073 176.870 -0.385 0.000 1.059 309 L CA 0.849 55.249 54.840 -0.732 0.000 0.835 309 L CB 0.477 42.136 42.059 -0.666 0.000 1.076 309 L HN 0.088 nan 8.230 nan 0.000 0.481 310 S N 0.099 115.688 115.700 -0.184 0.000 2.423 310 S HA 0.252 4.723 4.470 0.002 0.000 0.213 310 S C -0.729 173.844 174.600 -0.046 0.000 1.131 310 S CA -0.405 57.729 58.200 -0.109 0.000 1.155 310 S CB -0.113 63.013 63.200 -0.124 0.000 1.202 310 S HN 0.454 nan 8.310 nan 0.000 0.441 311 D N 2.319 122.705 120.400 -0.023 0.000 2.395 311 D HA 0.054 4.696 4.640 0.002 0.000 0.250 311 D C 0.737 177.037 176.300 0.001 0.000 1.203 311 D CA 0.120 54.119 54.000 -0.001 0.000 0.872 311 D CB 0.170 40.974 40.800 0.008 0.000 0.941 311 D HN 0.631 nan 8.370 nan 0.000 0.504 312 Q N 0.233 120.027 119.800 -0.010 0.000 3.072 312 Q HA 0.082 4.423 4.340 0.002 0.000 0.231 312 Q C 0.151 176.149 176.000 -0.003 0.000 1.167 312 Q CA -0.696 55.103 55.803 -0.007 0.000 0.318 312 Q CB 0.247 28.974 28.738 -0.017 0.000 5.789 312 Q HN 0.227 nan 8.270 nan 0.000 0.322 313 E N 1.158 121.351 120.200 -0.012 0.000 2.508 313 E HA -0.009 4.342 4.350 0.002 0.000 0.266 313 E C -2.188 174.405 176.600 -0.013 0.000 1.010 313 E CA -1.237 55.157 56.400 -0.011 0.000 0.955 313 E CB 0.428 30.112 29.700 -0.027 0.000 0.946 313 E HN 0.203 nan 8.360 nan 0.000 0.454 314 P HA 0.048 nan 4.420 nan 0.000 0.270 314 P C -0.811 176.468 177.300 -0.035 0.000 1.242 314 P CA 0.439 63.541 63.100 0.004 0.000 0.768 314 P CB 0.358 32.061 31.700 0.005 0.000 0.820 315 L N 4.529 125.740 121.223 -0.020 0.000 2.376 315 L HA 0.727 5.068 4.340 0.002 0.000 0.267 315 L C 0.164 177.018 176.870 -0.026 0.000 1.035 315 L CA -0.730 54.028 54.840 -0.136 0.000 0.800 315 L CB 1.245 43.177 42.059 -0.212 0.000 1.290 315 L HN 0.646 nan 8.230 nan 0.000 0.462 316 H N -2.845 116.036 119.070 -0.315 0.000 2.947 316 H HA 0.169 4.726 4.556 0.001 0.000 0.273 316 H C -1.522 173.568 175.328 -0.397 0.000 1.283 316 H CA -0.986 54.908 56.048 -0.257 0.000 1.490 316 H CB -0.100 29.604 29.762 -0.097 0.000 1.935 316 H HN 0.116 nan 8.280 nan 0.000 0.501 317 V N 2.457 122.205 119.914 -0.277 0.000 2.420 317 V HA 0.272 4.393 4.120 0.002 0.000 0.274 317 V C 1.468 177.547 176.094 -0.026 0.000 1.003 317 V CA 0.936 63.068 62.300 -0.279 0.000 1.092 317 V CB -0.257 31.348 31.823 -0.363 0.000 1.002 317 V HN 1.007 nan 8.190 nan 0.000 0.473 318 A N 5.599 128.324 122.820 -0.159 0.000 2.218 318 A HA 0.470 4.791 4.320 0.002 0.000 0.209 318 A C 0.348 177.925 177.584 -0.012 0.000 1.168 318 A CA 0.317 52.313 52.037 -0.069 0.000 0.804 318 A CB 0.065 18.898 19.000 -0.278 0.000 0.834 318 A HN 0.817 nan 8.150 nan 0.000 0.482 319 L N -1.840 119.386 121.223 0.005 0.000 3.111 319 L HA 0.565 4.907 4.340 0.002 0.000 0.259 319 L C -1.275 175.638 176.870 0.072 0.000 0.946 319 L CA 0.058 54.925 54.840 0.044 0.000 1.119 319 L CB 0.566 42.601 42.059 -0.041 0.000 1.698 319 L HN 0.287 nan 8.230 nan 0.000 0.540 320 A N 6.234 129.155 122.820 0.168 0.000 2.335 320 A HA 0.935 5.256 4.320 0.002 0.000 0.304 320 A C -1.267 176.409 177.584 0.153 0.000 1.118 320 A CA -0.339 51.799 52.037 0.168 0.000 0.757 320 A CB 1.122 20.278 19.000 0.259 0.000 1.188 320 A HN 1.277 nan 8.150 nan 0.000 0.460 321 L N -0.625 120.665 121.223 0.111 0.000 2.568 321 L HA 0.827 5.168 4.340 0.002 0.000 0.257 321 L C -0.987 175.934 176.870 0.085 0.000 1.024 321 L CA -0.893 54.008 54.840 0.103 0.000 0.854 321 L CB 2.035 44.145 42.059 0.085 0.000 1.460 321 L HN 0.721 nan 8.230 nan 0.000 0.409 322 Q N 1.529 121.375 119.800 0.077 0.000 2.347 322 Q HA 0.530 4.871 4.340 0.002 0.000 0.271 322 Q C -1.783 174.258 176.000 0.068 0.000 1.064 322 Q CA -0.794 55.031 55.803 0.037 0.000 0.800 322 Q CB 2.945 31.633 28.738 -0.083 0.000 1.304 322 Q HN 0.708 nan 8.270 nan 0.000 0.438 323 K N 2.706 123.159 120.400 0.089 0.000 2.471 323 K HA 0.603 4.924 4.320 0.002 0.000 0.252 323 K C -1.894 174.796 176.600 0.150 0.000 0.938 323 K CA -0.617 55.745 56.287 0.124 0.000 0.796 323 K CB 1.954 34.533 32.500 0.131 0.000 1.161 323 K HN 0.438 nan 8.250 nan 0.000 0.425 324 V N 4.153 124.170 119.914 0.172 0.000 2.569 324 V HA 0.357 4.478 4.120 0.002 0.000 0.301 324 V C -0.975 175.230 176.094 0.184 0.000 1.044 324 V CA -0.950 61.475 62.300 0.208 0.000 0.874 324 V CB 1.801 33.778 31.823 0.258 0.000 1.002 324 V HN 0.718 nan 8.190 nan 0.000 0.424 325 K N 4.115 124.618 120.400 0.171 0.000 2.263 325 K HA 0.644 4.965 4.320 0.002 0.000 0.272 325 K C -1.038 175.537 176.600 -0.042 0.000 1.033 325 K CA -0.609 55.764 56.287 0.145 0.000 0.884 325 K CB 2.012 34.684 32.500 0.287 0.000 1.107 325 K HN 0.532 nan 8.250 nan 0.000 0.460 326 I N 2.185 122.726 120.570 -0.048 0.000 2.474 326 I HA 0.218 4.389 4.170 0.002 0.000 0.294 326 I C -1.089 174.887 176.117 -0.235 0.000 1.005 326 I CA -0.309 60.876 61.300 -0.191 0.000 1.113 326 I CB 1.489 39.482 38.000 -0.011 0.000 1.289 326 I HN 0.552 nan 8.210 nan 0.000 0.436 327 E N 5.881 125.827 120.200 -0.423 0.000 2.246 327 E HA 0.559 4.910 4.350 0.002 0.000 0.266 327 E C -1.568 174.693 176.600 -0.566 0.000 0.880 327 E CA -0.785 55.355 56.400 -0.433 0.000 0.762 327 E CB 2.597 32.102 29.700 -0.325 0.000 1.180 327 E HN 0.327 nan 8.360 nan 0.000 0.416 328 V N 4.800 124.308 119.914 -0.676 0.000 2.443 328 V HA 0.354 4.475 4.120 0.002 0.000 0.293 328 V C -0.064 175.803 176.094 -0.377 0.000 1.021 328 V CA -0.683 61.244 62.300 -0.622 0.000 0.848 328 V CB 1.123 32.270 31.823 -1.127 0.000 0.998 328 V HN 0.713 nan 8.190 nan 0.000 0.424 329 N N 3.037 121.627 118.700 -0.183 0.000 3.343 329 N HA 0.346 5.088 4.740 0.002 0.000 0.330 329 N C 0.432 175.976 175.510 0.058 0.000 1.560 329 N CA -0.628 52.364 53.050 -0.096 0.000 0.752 329 N CB 1.642 40.073 38.487 -0.093 0.000 1.863 329 N HN 0.204 nan 8.380 nan 0.000 0.636 330 E N 0.010 120.244 120.200 0.056 0.000 2.153 330 E HA -0.029 4.322 4.350 0.002 0.000 0.194 330 E C -0.227 176.680 176.600 0.511 0.000 0.988 330 E CA 1.486 57.998 56.400 0.187 0.000 0.811 330 E CB -0.111 29.680 29.700 0.151 0.000 0.746 330 E HN 0.661 nan 8.360 nan 0.000 0.466 331 S N -1.108 114.788 115.700 0.327 0.000 2.277 331 S HA 0.479 4.950 4.470 0.002 0.000 0.230 331 S C 0.322 174.925 174.600 0.005 0.000 0.893 331 S CA -0.660 57.723 58.200 0.304 0.000 1.044 331 S CB 0.113 63.491 63.200 0.297 0.000 1.252 331 S HN 0.370 nan 8.310 nan 0.000 0.393 349 P HA 0.242 nan 4.420 nan 0.000 0.278 349 P C 0.157 177.434 177.300 -0.039 0.000 1.268 349 P CA -0.328 62.757 63.100 -0.025 0.000 0.813 349 P CB 0.336 32.024 31.700 -0.021 0.000 1.180 350 E N 0.538 120.706 120.200 -0.053 0.000 2.492 350 E HA -0.056 4.295 4.350 0.002 0.000 0.266 350 E C 0.214 176.756 176.600 -0.096 0.000 1.187 350 E CA 0.718 57.070 56.400 -0.078 0.000 1.036 350 E CB -0.037 29.599 29.700 -0.106 0.000 0.994 350 E HN 0.568 nan 8.360 nan 0.000 0.468 351 E N -0.072 120.060 120.200 -0.114 0.000 2.340 351 E HA 0.610 4.961 4.350 0.002 0.000 0.273 351 E C -0.702 175.796 176.600 -0.171 0.000 0.891 351 E CA -0.681 55.645 56.400 -0.124 0.000 0.757 351 E CB 1.266 30.918 29.700 -0.080 0.000 1.231 351 E HN 0.267 nan 8.360 nan 0.000 0.439 352 I N 2.989 123.436 120.570 -0.205 0.000 2.382 352 I HA 0.286 4.457 4.170 0.002 0.000 0.286 352 I C -0.726 175.286 176.117 -0.174 0.000 1.002 352 I CA -1.112 60.050 61.300 -0.229 0.000 1.135 352 I CB 1.212 39.035 38.000 -0.296 0.000 1.288 352 I HN 0.483 nan 8.210 nan 0.000 0.448 353 I N 7.315 127.801 120.570 -0.141 0.000 2.328 353 I HA 0.256 4.428 4.170 0.002 0.000 0.287 353 I C 0.181 176.254 176.117 -0.073 0.000 1.012 353 I CA -0.570 60.679 61.300 -0.086 0.000 1.195 353 I CB 1.362 39.325 38.000 -0.061 0.000 1.350 353 I HN 0.382 nan 8.210 nan 0.000 0.464 354 I N 6.692 127.230 120.570 -0.053 0.000 2.213 354 I HA 0.059 4.230 4.170 0.002 0.000 0.295 354 I C 0.747 176.962 176.117 0.162 0.000 1.172 354 I CA 0.069 61.362 61.300 -0.011 0.000 1.443 354 I CB -0.769 37.124 38.000 -0.178 0.000 1.491 354 I HN 0.512 nan 8.210 nan 0.000 0.652 355 D N 3.200 123.667 120.400 0.112 0.000 2.395 355 D HA 0.084 4.725 4.640 0.002 0.000 0.213 355 D C 0.684 176.794 176.300 -0.317 0.000 1.110 355 D CA -0.381 53.704 54.000 0.142 0.000 0.835 355 D CB 0.397 41.240 40.800 0.072 0.000 0.965 355 D HN 0.486 nan 8.370 nan 0.000 0.505 356 R N -1.089 119.316 120.500 -0.158 0.000 2.919 356 R HA 0.685 5.027 4.340 0.002 0.000 0.260 356 R C -3.006 173.371 176.300 0.128 0.000 1.067 356 R CA -2.255 53.644 56.100 -0.336 0.000 1.003 356 R CB 0.100 30.299 30.300 -0.169 0.000 1.192 356 R HN -0.281 nan 8.270 nan 0.000 0.488 357 P HA -0.015 nan 4.420 nan 0.000 0.265 357 P C -1.222 176.243 177.300 0.276 0.000 1.193 357 P CA 0.234 63.518 63.100 0.308 0.000 0.765 357 P CB 0.181 31.972 31.700 0.153 0.000 0.823 358 F N 2.266 122.352 119.950 0.226 0.000 2.679 358 F HA 0.833 5.362 4.527 0.002 0.000 0.341 358 F C -1.464 174.469 175.800 0.222 0.000 1.095 358 F CA -1.591 56.533 58.000 0.207 0.000 1.004 358 F CB 0.646 39.762 39.000 0.193 0.000 1.388 358 F HN 0.042 nan 8.300 nan 0.000 0.505 359 L N 2.019 123.533 121.223 0.485 0.000 2.386 359 L HA 0.708 5.049 4.340 0.002 0.000 0.271 359 L C -1.254 175.934 176.870 0.531 0.000 0.993 359 L CA -1.018 54.030 54.840 0.347 0.000 0.819 359 L CB 1.742 43.977 42.059 0.293 0.000 1.294 359 L HN 0.715 nan 8.230 nan 0.000 0.414 360 F N 3.523 123.680 119.950 0.346 0.000 2.593 360 F HA 0.932 5.460 4.527 0.001 0.000 0.320 360 F C -1.433 174.562 175.800 0.325 0.000 1.060 360 F CA -1.183 57.065 58.000 0.414 0.000 0.940 360 F CB 1.714 41.038 39.000 0.540 0.000 1.268 360 F HN 0.162 nan 8.300 nan 0.000 0.475 361 V N 2.961 123.224 119.914 0.581 0.000 2.711 361 V HA 0.427 4.548 4.120 0.002 0.000 0.304 361 V C -1.186 175.244 176.094 0.560 0.000 1.097 361 V CA -0.758 61.777 62.300 0.391 0.000 0.906 361 V CB 1.929 33.894 31.823 0.236 0.000 1.015 361 V HN 0.829 nan 8.190 nan 0.000 0.427 362 V N 6.521 126.719 119.914 0.473 0.000 2.347 362 V HA 0.621 4.742 4.120 0.002 0.000 0.280 362 V C 0.160 176.390 176.094 0.227 0.000 1.021 362 V CA -0.540 62.009 62.300 0.415 0.000 0.847 362 V CB 1.559 33.565 31.823 0.305 0.000 0.990 362 V HN 0.956 nan 8.190 nan 0.000 0.444 363 R N 2.591 123.239 120.500 0.246 0.000 2.807 363 R HA 0.564 4.905 4.340 0.002 0.000 0.276 363 R C -0.796 175.568 176.300 0.106 0.000 0.979 363 R CA -0.944 55.225 56.100 0.114 0.000 0.928 363 R CB 1.548 31.886 30.300 0.062 0.000 1.191 363 R HN 0.686 nan 8.270 nan 0.000 0.471 364 H N 2.005 121.034 119.070 -0.067 0.000 3.008 364 H HA 0.198 4.755 4.556 0.002 0.000 0.268 364 H C 0.193 175.472 175.328 -0.080 0.000 1.323 364 H CA 0.117 56.095 56.048 -0.117 0.000 1.401 364 H CB 0.017 29.680 29.762 -0.165 0.000 1.556 364 H HN 0.811 nan 8.280 nan 0.000 0.502 365 N N 4.166 122.706 118.700 -0.267 0.000 2.133 365 N HA -0.198 4.543 4.740 0.002 0.000 0.193 365 N C -0.889 174.469 175.510 -0.253 0.000 1.012 365 N CA 1.431 54.369 53.050 -0.187 0.000 0.871 365 N CB -0.303 38.118 38.487 -0.111 0.000 1.011 365 N HN 0.557 nan 8.380 nan 0.000 0.435 366 P HA -0.149 nan 4.420 nan 0.000 0.213 366 P C 1.646 178.891 177.300 -0.091 0.000 1.170 366 P CA 1.707 64.634 63.100 -0.289 0.000 0.898 366 P CB -0.150 31.317 31.700 -0.388 0.000 0.787 367 T N -5.668 108.898 114.554 0.019 0.000 3.009 367 T HA 0.265 4.616 4.350 0.002 0.000 0.258 367 T C 1.661 176.385 174.700 0.040 0.000 1.063 367 T CA 1.034 63.191 62.100 0.094 0.000 1.139 367 T CB -0.617 68.369 68.868 0.197 0.000 0.890 367 T HN 0.263 nan 8.240 nan 0.000 0.471 368 G N 0.739 109.545 108.800 0.010 0.000 2.195 368 G HA2 -0.210 3.752 3.960 0.002 0.000 0.224 368 G HA3 -0.210 3.752 3.960 0.002 0.000 0.224 368 G C 0.270 175.141 174.900 -0.049 0.000 0.990 368 G CA -0.026 45.058 45.100 -0.026 0.000 0.639 368 G HN 0.740 nan 8.290 nan 0.000 0.514 369 T N 1.175 115.723 114.554 -0.010 0.000 2.903 369 T HA 0.287 4.638 4.350 0.002 0.000 0.299 369 T C 0.892 175.552 174.700 -0.067 0.000 1.041 369 T CA 0.707 62.780 62.100 -0.045 0.000 1.138 369 T CB 1.652 70.463 68.868 -0.094 0.000 1.040 369 T HN 0.619 nan 8.240 nan 0.000 0.524 370 V N 6.607 126.474 119.914 -0.077 0.000 2.222 370 V HA 0.099 4.220 4.120 0.002 0.000 0.253 370 V C 1.641 177.673 176.094 -0.103 0.000 1.210 370 V CA -0.011 62.241 62.300 -0.081 0.000 1.079 370 V CB -0.594 31.172 31.823 -0.093 0.000 1.265 370 V HN 0.830 nan 8.190 nan 0.000 0.494 371 L N 2.607 123.720 121.223 -0.182 0.000 1.971 371 L HA -0.076 4.265 4.340 0.002 0.000 0.215 371 L C 0.490 176.922 176.870 -0.730 0.000 1.072 371 L CA 2.132 56.693 54.840 -0.466 0.000 0.758 371 L CB -0.164 41.601 42.059 -0.491 0.000 0.889 371 L HN 0.395 nan 8.230 nan 0.000 0.433 372 F N -2.140 117.803 119.950 -0.011 0.000 2.603 372 F HA 0.609 5.137 4.527 0.001 0.000 0.317 372 F C -0.004 175.773 175.800 -0.038 0.000 1.066 372 F CA -0.639 57.383 58.000 0.038 0.000 0.941 372 F CB 1.847 40.926 39.000 0.132 0.000 1.291 372 F HN -0.224 nan 8.300 nan 0.000 0.472 373 M N 0.966 120.557 119.600 -0.015 0.000 2.520 373 M HA 0.797 5.278 4.480 0.002 0.000 0.280 373 M C -1.266 174.497 176.300 -0.894 0.000 1.232 373 M CA -0.123 54.842 55.300 -0.559 0.000 0.892 373 M CB 2.754 34.942 32.600 -0.686 0.000 1.728 373 M HN 0.829 nan 8.290 nan 0.000 0.475 374 G N 1.918 109.964 108.800 -1.256 0.000 2.328 374 G HA2 0.414 4.375 3.960 0.002 0.000 0.295 374 G HA3 0.414 4.375 3.960 0.002 0.000 0.295 374 G C -2.606 172.055 174.900 -0.399 0.000 1.413 374 G CA -0.775 43.903 45.100 -0.704 0.000 0.817 374 G HN 0.868 nan 8.290 nan 0.000 0.546 375 Q N -0.542 119.276 119.800 0.030 0.000 2.321 375 Q HA 0.675 5.016 4.340 0.002 0.000 0.270 375 Q C -1.322 174.628 176.000 -0.084 0.000 1.032 375 Q CA -1.036 54.775 55.803 0.013 0.000 0.784 375 Q CB 2.768 31.567 28.738 0.102 0.000 1.264 375 Q HN 0.395 nan 8.270 nan 0.000 0.448 376 V N 4.703 124.369 119.914 -0.412 0.000 2.320 376 V HA 0.121 4.243 4.120 0.002 0.000 0.265 376 V C 0.558 176.408 176.094 -0.406 0.000 1.048 376 V CA -0.421 61.506 62.300 -0.622 0.000 0.865 376 V CB 0.726 31.679 31.823 -1.450 0.000 1.043 376 V HN 0.947 nan 8.190 nan 0.000 0.474 377 M N 2.240 121.754 119.600 -0.144 0.000 2.510 377 M HA 0.277 4.758 4.480 0.002 0.000 0.256 377 M C 0.686 177.078 176.300 0.153 0.000 1.132 377 M CA 0.673 55.996 55.300 0.038 0.000 1.105 377 M CB -0.173 32.454 32.600 0.046 0.000 1.375 377 M HN 0.733 nan 8.290 nan 0.000 0.477 378 E N 1.660 121.824 120.200 -0.060 0.000 2.639 378 E HA 0.202 4.554 4.350 0.002 0.000 0.378 378 E C -2.546 173.895 176.600 -0.265 0.000 1.002 378 E CA -0.858 55.464 56.400 -0.129 0.000 0.747 378 E CB 1.781 31.510 29.700 0.048 0.000 1.571 378 E HN -0.008 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 62.954 63.100 -0.243 0.000 0.800 379 P CB 0.000 31.539 31.700 -0.268 0.000 0.726