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 3h10_1_D DATA FIRST_RESID 126 DATA SEQUENCE RQWALEDFEI GRPLGKGKFG NVYLAREKQS KFILALKVLF KAQLEKAGVE DATA SEQUENCE HQLRREVEIQ SHLRHPNILR LYGYFHDATR VYLILEYAPL GTVYRELQKL DATA SEQUENCE SKFDEQRTAT YITELANALS YCHSKRVIHR DIKPENLLLG SAGELKIADF DATA SEQUENCE GWSVHAPSXX XXXXXXTLDY LPPEMIEGRM HDEKVDLWSL GVLCYEFLVG DATA SEQUENCE KPPFEANTYQ ETYKRISRVE FTFPDFVTEG ARDLISRLLK HNPSQRPMLR DATA SEQUENCE EVLEHPWITA NSS 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 126 R HA 0.000 nan 4.340 nan 0.000 0.208 126 R C 0.000 175.982 176.300 -0.530 0.000 0.893 126 R CA 0.000 55.865 56.100 -0.392 0.000 0.921 126 R CB 0.000 30.028 30.300 -0.453 0.000 0.687 127 Q N 3.403 122.900 119.800 -0.505 0.000 2.322 127 Q HA 0.232 4.571 4.340 -0.001 0.000 0.256 127 Q C -0.715 174.943 176.000 -0.570 0.000 0.960 127 Q CA 0.071 55.622 55.803 -0.421 0.000 0.934 127 Q CB 0.778 29.354 28.738 -0.270 0.000 1.200 127 Q HN 0.525 nan 8.270 nan 0.000 0.435 128 W N 1.210 122.371 121.300 -0.230 0.000 2.359 128 W HA 0.619 5.278 4.660 -0.002 0.000 0.344 128 W C 0.096 176.081 176.519 -0.890 0.000 1.170 128 W CA -0.538 56.553 57.345 -0.423 0.000 1.296 128 W CB 1.235 30.591 29.460 -0.173 0.000 1.197 128 W HN 0.585 nan 8.180 nan 0.000 0.618 129 A N 0.997 123.395 122.820 -0.705 0.000 2.587 129 A HA 0.440 4.759 4.320 -0.001 0.000 0.293 129 A C -0.159 177.097 177.584 -0.547 0.000 1.087 129 A CA -0.711 50.808 52.037 -0.864 0.000 0.692 129 A CB 1.205 19.979 19.000 -0.376 0.000 1.291 129 A HN 0.698 nan 8.150 nan 0.000 0.407 130 L N 0.892 121.938 121.223 -0.296 0.000 2.079 130 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 130 L C 2.255 179.175 176.870 0.084 0.000 1.081 130 L CA 3.019 57.875 54.840 0.026 0.000 0.752 130 L CB -0.567 41.463 42.059 -0.047 0.000 0.896 130 L HN 0.907 nan 8.230 nan 0.000 0.433 131 E N -2.197 117.979 120.200 -0.039 0.000 2.515 131 E HA -0.199 4.150 4.350 -0.001 0.000 0.201 131 E C 0.826 177.361 176.600 -0.109 0.000 1.071 131 E CA 0.942 57.312 56.400 -0.051 0.000 0.880 131 E CB -0.381 29.278 29.700 -0.067 0.000 0.828 131 E HN 0.499 nan 8.360 nan 0.000 0.540 132 D N 0.017 120.284 120.400 -0.222 0.000 2.347 132 D HA 0.074 4.713 4.640 -0.001 0.000 0.213 132 D C -0.421 175.487 176.300 -0.653 0.000 0.985 132 D CA 0.522 54.232 54.000 -0.482 0.000 0.879 132 D CB 0.102 40.502 40.800 -0.666 0.000 0.919 132 D HN 0.154 nan 8.370 nan 0.000 0.526 133 F N 0.615 120.539 119.950 -0.044 0.000 2.546 133 F HA 0.352 4.878 4.527 -0.001 0.000 0.320 133 F C 0.684 176.459 175.800 -0.042 0.000 1.076 133 F CA -1.140 56.832 58.000 -0.046 0.000 0.928 133 F CB 1.476 40.448 39.000 -0.047 0.000 1.189 133 F HN -0.421 nan 8.300 nan 0.000 0.465 134 E N 2.626 122.908 120.200 0.137 0.000 2.283 134 E HA 0.386 4.735 4.350 -0.001 0.000 0.278 134 E C -0.807 175.832 176.600 0.064 0.000 1.027 134 E CA -0.556 55.885 56.400 0.069 0.000 0.843 134 E CB 1.329 31.049 29.700 0.033 0.000 1.062 134 E HN 0.264 nan 8.360 nan 0.000 0.401 135 I N 2.561 123.142 120.570 0.019 0.000 2.354 135 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 135 I C 0.822 176.943 176.117 0.007 0.000 0.989 135 I CA -0.125 61.164 61.300 -0.018 0.000 1.188 135 I CB 0.852 38.773 38.000 -0.131 0.000 1.342 135 I HN 0.586 nan 8.210 nan 0.000 0.457 136 G N 6.516 115.336 108.800 0.032 0.000 2.782 136 G HA2 0.401 4.360 3.960 -0.001 0.000 0.201 136 G HA3 0.401 4.360 3.960 -0.001 0.000 0.201 136 G C 0.076 175.041 174.900 0.109 0.000 1.374 136 G CA -0.571 44.553 45.100 0.040 0.000 1.039 136 G HN 0.615 nan 8.290 nan 0.000 0.576 137 R N 0.148 120.692 120.500 0.073 0.000 2.679 137 R HA 0.249 4.589 4.340 -0.001 0.000 0.269 137 R C -2.756 173.593 176.300 0.082 0.000 1.076 137 R CA -1.105 55.047 56.100 0.087 0.000 1.160 137 R CB 0.006 30.328 30.300 0.035 0.000 1.054 137 R HN 0.075 nan 8.270 nan 0.000 0.507 138 P HA 0.078 nan 4.420 nan 0.000 0.268 138 P C 0.302 177.519 177.300 -0.138 0.000 1.204 138 P CA -0.066 62.894 63.100 -0.233 0.000 0.768 138 P CB 0.502 32.022 31.700 -0.300 0.000 0.842 139 L N 1.269 122.399 121.223 -0.156 0.000 2.375 139 L HA 0.315 4.654 4.340 -0.001 0.000 0.215 139 L C 1.156 177.977 176.870 -0.082 0.000 1.108 139 L CA 0.734 55.531 54.840 -0.072 0.000 0.830 139 L CB -0.266 41.779 42.059 -0.024 0.000 0.959 139 L HN 0.632 nan 8.230 nan 0.000 0.457 140 G N -0.464 108.248 108.800 -0.147 0.000 2.340 140 G HA2 0.116 4.075 3.960 -0.001 0.000 0.300 140 G HA3 0.116 4.075 3.960 -0.001 0.000 0.300 140 G C -1.610 173.197 174.900 -0.156 0.000 1.488 140 G CA -0.886 44.143 45.100 -0.118 0.000 0.878 140 G HN -0.194 nan 8.290 nan 0.000 0.618 141 K N -0.122 120.213 120.400 -0.109 0.000 2.205 141 K HA 0.593 4.912 4.320 -0.001 0.000 0.279 141 K C 0.764 177.280 176.600 -0.139 0.000 1.027 141 K CA 0.201 56.425 56.287 -0.104 0.000 0.932 141 K CB 1.659 34.135 32.500 -0.040 0.000 1.032 141 K HN 0.712 nan 8.250 nan 0.000 0.466 142 G N 1.116 109.805 108.800 -0.186 0.000 2.552 142 G HA2 0.135 4.094 3.960 -0.001 0.000 0.318 142 G HA3 0.135 4.094 3.960 -0.001 0.000 0.318 142 G C 0.146 174.741 174.900 -0.508 0.000 1.240 142 G CA -0.534 44.382 45.100 -0.307 0.000 1.002 142 G HN 0.574 nan 8.290 nan 0.000 0.493 143 K N -0.987 118.920 120.400 -0.822 0.000 2.147 143 K HA -0.011 4.308 4.320 -0.001 0.000 0.205 143 K C 0.763 176.844 176.600 -0.864 0.000 1.049 143 K CA 1.450 57.049 56.287 -1.145 0.000 0.936 143 K CB -0.094 31.475 32.500 -1.553 0.000 0.722 143 K HN 0.472 nan 8.250 nan 0.000 0.446 144 F N -0.652 119.253 119.950 -0.074 0.000 2.735 144 F HA 0.321 4.848 4.527 -0.001 0.000 0.308 144 F C 0.721 176.594 175.800 0.122 0.000 1.112 144 F CA -0.554 57.462 58.000 0.028 0.000 1.235 144 F CB 1.633 40.647 39.000 0.025 0.000 1.027 144 F HN 0.006 nan 8.300 nan 0.000 0.528 145 G N 0.126 109.031 108.800 0.175 0.000 2.368 145 G HA2 0.153 4.112 3.960 -0.001 0.000 0.269 145 G HA3 0.153 4.112 3.960 -0.001 0.000 0.269 145 G C -1.957 172.968 174.900 0.043 0.000 1.291 145 G CA -0.970 44.264 45.100 0.223 0.000 0.903 145 G HN -0.028 nan 8.290 nan 0.000 0.483 146 N N -1.356 117.342 118.700 -0.004 0.000 2.455 146 N HA 0.623 5.362 4.740 -0.001 0.000 0.278 146 N C -1.421 173.955 175.510 -0.224 0.000 1.291 146 N CA -0.469 52.479 53.050 -0.171 0.000 0.780 146 N CB 2.776 41.071 38.487 -0.320 0.000 1.520 146 N HN 0.418 nan 8.380 nan 0.000 0.486 147 V N 1.880 121.605 119.914 -0.314 0.000 2.448 147 V HA 0.417 4.536 4.120 -0.001 0.000 0.295 147 V C -1.156 174.735 176.094 -0.338 0.000 1.025 147 V CA -0.583 61.593 62.300 -0.208 0.000 0.859 147 V CB 0.425 32.179 31.823 -0.114 0.000 0.988 147 V HN 0.519 nan 8.190 nan 0.000 0.431 148 Y N 3.460 123.727 120.300 -0.055 0.000 2.420 148 Y HA 0.604 5.153 4.550 -0.001 0.000 0.334 148 Y C 0.071 175.917 175.900 -0.090 0.000 1.094 148 Y CA -1.055 57.011 58.100 -0.056 0.000 1.126 148 Y CB 1.562 39.995 38.460 -0.044 0.000 1.217 148 Y HN 0.529 nan 8.280 nan 0.000 0.462 149 L N 2.636 123.874 121.223 0.025 0.000 2.456 149 L HA 0.581 4.920 4.340 -0.001 0.000 0.272 149 L C -0.190 176.649 176.870 -0.053 0.000 1.189 149 L CA 0.374 55.141 54.840 -0.121 0.000 0.846 149 L CB -0.064 41.869 42.059 -0.210 0.000 1.111 149 L HN 0.786 nan 8.230 nan 0.000 0.475 150 A N 5.512 128.267 122.820 -0.108 0.000 2.609 150 A HA 0.812 5.131 4.320 -0.001 0.000 0.291 150 A C -1.121 176.443 177.584 -0.034 0.000 1.096 150 A CA -0.799 51.214 52.037 -0.040 0.000 0.684 150 A CB 1.313 20.278 19.000 -0.059 0.000 1.282 150 A HN 0.693 nan 8.150 nan 0.000 0.412 151 R N 1.039 121.575 120.500 0.061 0.000 2.538 151 R HA 0.364 4.703 4.340 -0.001 0.000 0.292 151 R C -1.019 175.372 176.300 0.152 0.000 1.008 151 R CA -0.453 55.683 56.100 0.060 0.000 0.896 151 R CB 1.524 31.830 30.300 0.010 0.000 1.187 151 R HN 0.827 nan 8.270 nan 0.000 0.440 152 E N 3.395 123.679 120.200 0.139 0.000 2.344 152 E HA -0.006 4.344 4.350 -0.001 0.000 0.270 152 E C -0.070 176.513 176.600 -0.028 0.000 1.021 152 E CA 0.303 56.694 56.400 -0.016 0.000 0.887 152 E CB 1.141 30.819 29.700 -0.036 0.000 0.997 152 E HN 0.566 nan 8.360 nan 0.000 0.429 153 K N 2.834 123.177 120.400 -0.095 0.000 2.097 153 K HA -0.162 4.158 4.320 -0.001 0.000 0.205 153 K C 1.943 178.526 176.600 -0.029 0.000 1.050 153 K CA 0.991 57.247 56.287 -0.051 0.000 0.938 153 K CB 0.113 32.569 32.500 -0.074 0.000 0.718 153 K HN 0.508 nan 8.250 nan 0.000 0.442 154 Q N 0.482 120.264 119.800 -0.030 0.000 1.994 154 Q HA -0.122 4.217 4.340 -0.001 0.000 0.198 154 Q C 2.012 178.016 176.000 0.007 0.000 0.976 154 Q CA 2.026 57.821 55.803 -0.013 0.000 0.828 154 Q CB 0.070 28.801 28.738 -0.012 0.000 0.894 154 Q HN 0.316 nan 8.270 nan 0.000 0.432 155 S N -0.192 115.523 115.700 0.025 0.000 2.461 155 S HA 0.007 4.476 4.470 -0.001 0.000 0.228 155 S C 0.521 175.170 174.600 0.082 0.000 1.005 155 S CA 0.520 58.749 58.200 0.048 0.000 0.942 155 S CB 0.169 63.400 63.200 0.052 0.000 0.776 155 S HN 0.303 nan 8.310 nan 0.000 0.514 156 K N -0.088 120.355 120.400 0.072 0.000 3.209 156 K HA -0.184 4.136 4.320 -0.001 0.000 0.289 156 K C -0.384 176.285 176.600 0.115 0.000 1.191 156 K CA 0.555 56.883 56.287 0.069 0.000 0.851 156 K CB -2.727 29.801 32.500 0.046 0.000 1.242 156 K HN 0.589 nan 8.250 nan 0.000 0.480 157 F N 1.433 121.372 119.950 -0.019 0.000 2.456 157 F HA 0.338 4.864 4.527 -0.001 0.000 0.358 157 F C 0.936 176.736 175.800 -0.001 0.000 1.095 157 F CA -0.892 57.098 58.000 -0.016 0.000 1.216 157 F CB 0.486 39.453 39.000 -0.055 0.000 1.125 157 F HN 0.026 nan 8.300 nan 0.000 0.549 158 I N 7.143 127.323 120.570 -0.650 0.000 2.428 158 I HA 0.337 4.506 4.170 -0.001 0.000 0.289 158 I C -0.684 175.103 176.117 -0.550 0.000 1.019 158 I CA -0.576 60.440 61.300 -0.473 0.000 1.351 158 I CB 1.099 38.897 38.000 -0.336 0.000 1.412 158 I HN 0.579 nan 8.210 nan 0.000 0.513 159 L N 4.252 125.326 121.223 -0.247 0.000 2.630 159 L HA 0.929 5.268 4.340 -0.001 0.000 0.258 159 L C -0.930 175.919 176.870 -0.035 0.000 1.072 159 L CA -0.863 53.963 54.840 -0.023 0.000 0.885 159 L CB 1.557 43.697 42.059 0.135 0.000 1.502 159 L HN 0.472 nan 8.230 nan 0.000 0.406 160 A N 1.362 124.227 122.820 0.076 0.000 2.276 160 A HA 0.717 5.036 4.320 -0.001 0.000 0.316 160 A C -0.825 176.759 177.584 -0.000 0.000 1.229 160 A CA -0.436 51.625 52.037 0.040 0.000 0.851 160 A CB 0.723 19.789 19.000 0.110 0.000 1.165 160 A HN 0.763 nan 8.150 nan 0.000 0.513 161 L N 3.066 124.274 121.223 -0.025 0.000 2.262 161 L HA 0.403 4.742 4.340 -0.001 0.000 0.288 161 L C -0.108 176.770 176.870 0.014 0.000 1.035 161 L CA -0.276 54.526 54.840 -0.063 0.000 0.820 161 L CB 1.035 43.013 42.059 -0.134 0.000 1.204 161 L HN 0.848 nan 8.230 nan 0.000 0.424 162 K N 4.401 124.773 120.400 -0.045 0.000 2.262 162 K HA 0.442 4.761 4.320 -0.001 0.000 0.282 162 K C -1.215 175.289 176.600 -0.161 0.000 1.066 162 K CA -0.496 55.742 56.287 -0.083 0.000 0.901 162 K CB 1.041 33.475 32.500 -0.111 0.000 1.089 162 K HN 0.445 nan 8.250 nan 0.000 0.476 163 V N 6.677 126.499 119.914 -0.153 0.000 2.370 163 V HA 0.379 4.498 4.120 -0.001 0.000 0.283 163 V C -0.349 175.509 176.094 -0.393 0.000 1.023 163 V CA -0.851 61.219 62.300 -0.382 0.000 0.857 163 V CB 0.936 32.596 31.823 -0.272 0.000 0.985 163 V HN 0.662 nan 8.190 nan 0.000 0.443 164 L N 4.645 125.569 121.223 -0.499 0.000 2.341 164 L HA 0.609 4.949 4.340 -0.001 0.000 0.278 164 L C -0.805 175.814 176.870 -0.419 0.000 1.005 164 L CA -0.451 54.208 54.840 -0.302 0.000 0.818 164 L CB 1.861 43.797 42.059 -0.205 0.000 1.259 164 L HN 0.423 nan 8.230 nan 0.000 0.418 165 F N 2.015 121.918 119.950 -0.079 0.000 2.445 165 F HA 0.221 4.748 4.527 -0.002 0.000 0.359 165 F C 1.490 177.247 175.800 -0.072 0.000 1.101 165 F CA -0.265 57.697 58.000 -0.064 0.000 1.177 165 F CB 0.853 39.846 39.000 -0.011 0.000 1.110 165 F HN 0.456 nan 8.300 nan 0.000 0.522 166 K N 2.258 122.685 120.400 0.044 0.000 2.152 166 K HA -0.206 4.113 4.320 -0.001 0.000 0.206 166 K C 2.033 178.632 176.600 -0.002 0.000 1.048 166 K CA 1.422 57.696 56.287 -0.022 0.000 0.933 166 K CB -0.117 32.362 32.500 -0.034 0.000 0.721 166 K HN 0.760 nan 8.250 nan 0.000 0.447 167 A N 0.762 123.621 122.820 0.064 0.000 1.930 167 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 167 A C 2.030 179.641 177.584 0.047 0.000 1.176 167 A CA 0.992 53.055 52.037 0.043 0.000 0.632 167 A CB -0.262 18.769 19.000 0.052 0.000 0.819 167 A HN 0.251 nan 8.150 nan 0.000 0.445 168 Q N -0.429 119.433 119.800 0.104 0.000 2.119 168 Q HA -0.053 4.286 4.340 -0.001 0.000 0.201 168 Q C 1.946 177.980 176.000 0.057 0.000 0.972 168 Q CA 1.240 57.138 55.803 0.159 0.000 0.847 168 Q CB -0.242 28.671 28.738 0.291 0.000 0.903 168 Q HN 0.706 nan 8.270 nan 0.000 0.433 169 L N 0.130 121.278 121.223 -0.126 0.000 2.083 169 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 169 L C 2.080 178.810 176.870 -0.233 0.000 1.083 169 L CA 1.290 55.897 54.840 -0.389 0.000 0.752 169 L CB -0.301 41.558 42.059 -0.334 0.000 0.899 169 L HN 0.235 nan 8.230 nan 0.000 0.433 170 E N -0.050 120.078 120.200 -0.119 0.000 2.152 170 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 170 E C 2.128 178.711 176.600 -0.028 0.000 0.983 170 E CA 0.738 57.095 56.400 -0.073 0.000 0.818 170 E CB 0.082 29.753 29.700 -0.047 0.000 0.758 170 E HN 0.313 nan 8.360 nan 0.000 0.467 171 K N 0.791 121.190 120.400 -0.000 0.000 2.057 171 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 171 K C 1.925 178.552 176.600 0.045 0.000 1.050 171 K CA 1.173 57.479 56.287 0.032 0.000 0.935 171 K CB -0.030 32.505 32.500 0.059 0.000 0.715 171 K HN 0.057 nan 8.250 nan 0.000 0.439 172 A N 0.166 123.017 122.820 0.051 0.000 2.167 172 A HA 0.145 4.464 4.320 -0.001 0.000 0.214 172 A C 1.312 178.899 177.584 0.005 0.000 1.151 172 A CA 0.906 52.996 52.037 0.087 0.000 0.735 172 A CB -0.556 18.578 19.000 0.224 0.000 0.802 172 A HN 0.567 nan 8.150 nan 0.000 0.467 173 G N -1.683 107.096 108.800 -0.036 0.000 2.198 173 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 173 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 173 G C 0.427 175.283 174.900 -0.074 0.000 1.025 173 G CA 0.385 45.466 45.100 -0.031 0.000 0.769 173 G HN 0.904 nan 8.290 nan 0.000 0.507 174 V N -0.622 119.188 119.914 -0.172 0.000 3.276 174 V HA 0.170 4.289 4.120 -0.001 0.000 0.319 174 V C 1.835 177.779 176.094 -0.250 0.000 1.427 174 V CA 1.025 63.168 62.300 -0.261 0.000 1.102 174 V CB 0.534 32.136 31.823 -0.369 0.000 1.020 174 V HN 0.441 nan 8.190 nan 0.000 0.456 175 E N -0.214 119.836 120.200 -0.250 0.000 2.106 175 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 175 E C 1.903 178.285 176.600 -0.364 0.000 0.984 175 E CA 1.363 57.550 56.400 -0.355 0.000 0.806 175 E CB -0.223 29.180 29.700 -0.496 0.000 0.750 175 E HN 0.677 nan 8.360 nan 0.000 0.458 176 H N -0.003 119.000 119.070 -0.112 0.000 2.497 176 H HA 0.076 4.631 4.556 -0.001 0.000 0.282 176 H C 1.897 177.171 175.328 -0.091 0.000 1.003 176 H CA 1.016 57.013 56.048 -0.085 0.000 1.307 176 H CB 0.131 29.850 29.762 -0.073 0.000 1.437 176 H HN 0.245 nan 8.280 nan 0.000 0.544 177 Q N 1.018 120.795 119.800 -0.038 0.000 2.084 177 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 177 Q C 2.283 178.259 176.000 -0.041 0.000 0.978 177 Q CA 0.959 56.685 55.803 -0.129 0.000 0.844 177 Q CB 0.060 28.571 28.738 -0.377 0.000 0.898 177 Q HN 0.245 nan 8.270 nan 0.000 0.426 178 L N 1.043 122.254 121.223 -0.019 0.000 1.994 178 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 178 L C 2.381 179.245 176.870 -0.011 0.000 1.071 178 L CA 1.752 56.645 54.840 0.087 0.000 0.745 178 L CB -0.433 41.629 42.059 0.005 0.000 0.892 178 L HN 0.121 nan 8.230 nan 0.000 0.431 179 R N -0.825 119.638 120.500 -0.061 0.000 2.096 179 R HA -0.204 4.135 4.340 -0.001 0.000 0.240 179 R C 2.471 178.763 176.300 -0.013 0.000 1.139 179 R CA 1.717 57.777 56.100 -0.066 0.000 0.952 179 R CB -0.558 29.717 30.300 -0.042 0.000 0.854 179 R HN 0.396 nan 8.270 nan 0.000 0.436 180 R N 1.405 121.923 120.500 0.030 0.000 2.073 180 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 180 R C 1.722 178.076 176.300 0.089 0.000 1.134 180 R CA 1.756 57.890 56.100 0.056 0.000 0.952 180 R CB -0.057 30.273 30.300 0.050 0.000 0.850 180 R HN 0.344 nan 8.270 nan 0.000 0.433 181 E N -0.209 120.083 120.200 0.154 0.000 2.107 181 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 181 E C 2.043 178.825 176.600 0.303 0.000 0.982 181 E CA 1.054 57.614 56.400 0.267 0.000 0.809 181 E CB 0.109 30.102 29.700 0.487 0.000 0.756 181 E HN 0.142 nan 8.360 nan 0.000 0.459 182 V N 1.776 121.827 119.914 0.227 0.000 2.332 182 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 182 V C 2.100 178.169 176.094 -0.042 0.000 1.055 182 V CA 1.860 64.189 62.300 0.049 0.000 1.038 182 V CB -0.465 31.135 31.823 -0.372 0.000 0.651 182 V HN 0.249 nan 8.190 nan 0.000 0.450 183 E N -0.056 120.120 120.200 -0.039 0.000 2.012 183 E HA -0.235 4.114 4.350 -0.001 0.000 0.197 183 E C 2.188 178.757 176.600 -0.051 0.000 1.007 183 E CA 1.926 58.311 56.400 -0.025 0.000 0.816 183 E CB -0.287 29.449 29.700 0.060 0.000 0.762 183 E HN 0.542 nan 8.360 nan 0.000 0.451 184 I N 0.855 121.460 120.570 0.059 0.000 2.118 184 I HA -0.337 3.832 4.170 -0.001 0.000 0.241 184 I C 2.748 178.900 176.117 0.057 0.000 1.070 184 I CA 1.389 62.749 61.300 0.101 0.000 1.327 184 I CB -0.289 37.770 38.000 0.098 0.000 1.034 184 I HN 0.130 nan 8.210 nan 0.000 0.405 185 Q N 1.034 120.857 119.800 0.038 0.000 2.170 185 Q HA -0.187 4.152 4.340 -0.001 0.000 0.203 185 Q C 2.257 178.275 176.000 0.029 0.000 0.976 185 Q CA 2.050 57.863 55.803 0.017 0.000 0.858 185 Q CB -0.313 28.404 28.738 -0.035 0.000 0.907 185 Q HN 0.585 nan 8.270 nan 0.000 0.433 186 S N -0.908 114.772 115.700 -0.033 0.000 2.419 186 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 186 S C 1.256 175.836 174.600 -0.033 0.000 1.016 186 S CA 1.211 59.391 58.200 -0.033 0.000 0.974 186 S CB -0.486 62.669 63.200 -0.075 0.000 0.786 186 S HN 0.555 nan 8.310 nan 0.000 0.492 187 H N 0.540 119.704 119.070 0.156 0.000 2.575 187 H HA 0.433 4.988 4.556 -0.002 0.000 0.267 187 H C 0.191 175.621 175.328 0.170 0.000 0.966 187 H CA -0.174 55.962 56.048 0.146 0.000 1.165 187 H CB -0.122 29.710 29.762 0.118 0.000 1.433 187 H HN 0.396 nan 8.280 nan 0.000 0.544 188 L N 1.714 123.088 121.223 0.252 0.000 2.290 188 L HA 0.344 4.683 4.340 -0.001 0.000 0.284 188 L C 0.154 177.181 176.870 0.262 0.000 1.078 188 L CA -0.256 54.773 54.840 0.315 0.000 0.815 188 L CB 0.779 42.983 42.059 0.242 0.000 1.162 188 L HN -0.188 nan 8.230 nan 0.000 0.435 189 R N 1.772 122.445 120.500 0.289 0.000 2.500 189 R HA 0.542 4.881 4.340 -0.001 0.000 0.299 189 R C -1.502 174.656 176.300 -0.237 0.000 1.038 189 R CA -0.715 55.419 56.100 0.057 0.000 0.903 189 R CB 1.174 31.532 30.300 0.096 0.000 1.177 189 R HN 0.606 nan 8.270 nan 0.000 0.455 190 H N 2.477 121.365 119.070 -0.304 0.000 3.094 190 H HA 0.271 4.826 4.556 -0.001 0.000 0.346 190 H C -2.075 173.144 175.328 -0.182 0.000 1.238 190 H CA -1.309 54.502 56.048 -0.395 0.000 1.209 190 H CB 2.149 31.575 29.762 -0.562 0.000 1.911 190 H HN 0.335 nan 8.280 nan 0.000 0.540 191 P HA -0.035 nan 4.420 nan 0.000 0.226 191 P C -0.074 177.206 177.300 -0.033 0.000 1.153 191 P CA 0.874 63.861 63.100 -0.188 0.000 0.777 191 P CB 0.465 32.020 31.700 -0.241 0.000 0.794 192 N N -0.213 118.579 118.700 0.153 0.000 2.275 192 N HA 0.222 4.961 4.740 -0.001 0.000 0.236 192 N C 0.110 175.687 175.510 0.110 0.000 1.154 192 N CA 0.012 53.158 53.050 0.160 0.000 0.866 192 N CB 1.062 39.671 38.487 0.203 0.000 1.093 192 N HN 0.271 nan 8.380 nan 0.000 0.515 193 I N 1.147 121.771 120.570 0.090 0.000 2.436 193 I HA 0.215 4.384 4.170 -0.001 0.000 0.289 193 I C -0.306 175.795 176.117 -0.026 0.000 1.010 193 I CA -1.020 60.289 61.300 0.014 0.000 1.098 193 I CB 2.404 40.425 38.000 0.035 0.000 1.266 193 I HN -0.204 nan 8.210 nan 0.000 0.434 194 L N 6.247 127.430 121.223 -0.067 0.000 2.534 194 L HA 0.105 4.444 4.340 -0.001 0.000 0.271 194 L C 0.547 177.343 176.870 -0.125 0.000 1.178 194 L CA 0.397 55.179 54.840 -0.097 0.000 0.907 194 L CB 0.090 42.084 42.059 -0.107 0.000 1.164 194 L HN 0.535 nan 8.230 nan 0.000 0.482 195 R N 4.088 124.481 120.500 -0.180 0.000 2.389 195 R HA 0.348 4.687 4.340 -0.001 0.000 0.295 195 R C -0.961 175.154 176.300 -0.309 0.000 1.075 195 R CA -0.394 55.559 56.100 -0.244 0.000 1.005 195 R CB 0.504 30.601 30.300 -0.337 0.000 0.987 195 R HN 0.614 nan 8.270 nan 0.000 0.452 196 L N 6.480 127.631 121.223 -0.120 0.000 2.283 196 L HA 0.216 4.555 4.340 -0.001 0.000 0.287 196 L C -0.465 176.448 176.870 0.072 0.000 1.073 196 L CA 0.163 55.011 54.840 0.014 0.000 0.822 196 L CB 0.482 42.642 42.059 0.168 0.000 1.186 196 L HN 0.766 nan 8.230 nan 0.000 0.436 197 Y N 4.066 124.478 120.300 0.187 0.000 2.314 197 Y HA 0.382 4.931 4.550 -0.001 0.000 0.293 197 Y C 1.574 177.623 175.900 0.248 0.000 1.129 197 Y CA 0.365 58.580 58.100 0.191 0.000 1.201 197 Y CB -0.265 38.287 38.460 0.153 0.000 0.999 197 Y HN 0.681 nan 8.280 nan 0.000 0.541 198 G N -1.815 107.240 108.800 0.425 0.000 2.315 198 G HA2 0.418 4.377 3.960 -0.001 0.000 0.294 198 G HA3 0.418 4.377 3.960 -0.001 0.000 0.294 198 G C -2.085 173.089 174.900 0.457 0.000 1.300 198 G CA -0.477 44.870 45.100 0.412 0.000 0.843 198 G HN 0.123 nan 8.290 nan 0.000 0.527 199 Y N -1.907 118.611 120.300 0.363 0.000 2.677 199 Y HA 0.830 5.380 4.550 -0.001 0.000 0.334 199 Y C -0.902 175.242 175.900 0.406 0.000 1.196 199 Y CA -1.728 56.519 58.100 0.245 0.000 1.059 199 Y CB 1.119 39.647 38.460 0.113 0.000 1.315 199 Y HN 1.571 nan 8.280 nan 0.000 0.455 200 F N -1.430 118.718 119.950 0.329 0.000 2.877 200 F HA 0.819 5.345 4.527 -0.001 0.000 0.319 200 F C -1.605 174.382 175.800 0.311 0.000 1.174 200 F CA -1.037 57.065 58.000 0.169 0.000 0.903 200 F CB 1.586 40.616 39.000 0.050 0.000 1.357 200 F HN 0.946 nan 8.300 nan 0.000 0.472 201 H N -1.194 118.140 119.070 0.439 0.000 3.037 201 H HA 0.618 5.173 4.556 -0.001 0.000 0.355 201 H C -2.131 173.425 175.328 0.380 0.000 1.263 201 H CA -0.732 55.523 56.048 0.345 0.000 1.129 201 H CB 2.183 32.051 29.762 0.176 0.000 1.861 201 H HN 0.761 nan 8.280 nan 0.000 0.546 202 D N 0.765 121.470 120.400 0.509 0.000 2.658 202 D HA 0.426 5.065 4.640 -0.001 0.000 0.243 202 D C 1.387 177.859 176.300 0.287 0.000 1.159 202 D CA -0.225 53.990 54.000 0.359 0.000 1.084 202 D CB 0.064 41.051 40.800 0.311 0.000 1.227 202 D HN 0.532 nan 8.370 nan 0.000 0.636 203 A N -1.035 121.902 122.820 0.196 0.000 1.933 203 A HA -0.017 4.302 4.320 -0.001 0.000 0.218 203 A C 1.849 179.497 177.584 0.107 0.000 1.175 203 A CA 2.657 54.776 52.037 0.137 0.000 0.628 203 A CB -1.148 17.918 19.000 0.110 0.000 0.814 203 A HN 0.702 nan 8.150 nan 0.000 0.444 204 T N -4.461 110.161 114.554 0.113 0.000 2.985 204 T HA 0.404 4.754 4.350 -0.001 0.000 0.254 204 T C 0.689 175.397 174.700 0.014 0.000 1.021 204 T CA -0.313 61.846 62.100 0.099 0.000 0.957 204 T CB 0.220 69.186 68.868 0.163 0.000 1.047 204 T HN 0.320 nan 8.240 nan 0.000 0.511 205 R N 0.345 120.811 120.500 -0.056 0.000 2.795 205 R HA 0.747 5.086 4.340 -0.001 0.000 0.275 205 R C -1.697 174.442 176.300 -0.267 0.000 0.981 205 R CA -0.778 55.116 56.100 -0.344 0.000 0.917 205 R CB 2.755 32.647 30.300 -0.681 0.000 1.202 205 R HN 0.026 nan 8.270 nan 0.000 0.469 206 V N 2.737 122.397 119.914 -0.424 0.000 2.513 206 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 206 V C -1.187 174.551 176.094 -0.593 0.000 1.035 206 V CA -0.713 61.409 62.300 -0.297 0.000 0.889 206 V CB 1.259 32.956 31.823 -0.210 0.000 0.988 206 V HN 0.581 nan 8.190 nan 0.000 0.440 207 Y N 4.620 124.651 120.300 -0.448 0.000 2.350 207 Y HA 0.701 5.250 4.550 -0.001 0.000 0.338 207 Y C -0.195 175.435 175.900 -0.450 0.000 0.961 207 Y CA -0.775 56.949 58.100 -0.627 0.000 1.100 207 Y CB 1.636 39.283 38.460 -1.355 0.000 1.179 207 Y HN 0.408 nan 8.280 nan 0.000 0.454 208 L N 5.054 126.178 121.223 -0.165 0.000 2.333 208 L HA 0.585 4.924 4.340 -0.001 0.000 0.280 208 L C -0.715 176.147 176.870 -0.013 0.000 1.004 208 L CA -0.685 54.127 54.840 -0.047 0.000 0.820 208 L CB 1.776 43.766 42.059 -0.115 0.000 1.247 208 L HN 0.555 nan 8.230 nan 0.000 0.416 209 I N 4.744 125.362 120.570 0.079 0.000 2.307 209 I HA 0.339 4.508 4.170 -0.001 0.000 0.287 209 I C -0.431 175.799 176.117 0.189 0.000 1.054 209 I CA -0.071 61.282 61.300 0.087 0.000 1.218 209 I CB 0.678 38.731 38.000 0.090 0.000 1.398 209 I HN 0.379 nan 8.210 nan 0.000 0.475 210 L N 5.259 126.558 121.223 0.126 0.000 2.331 210 L HA 0.392 4.731 4.340 -0.001 0.000 0.275 210 L C 0.587 177.491 176.870 0.057 0.000 1.022 210 L CA -0.745 54.111 54.840 0.026 0.000 0.812 210 L CB 1.740 43.822 42.059 0.038 0.000 1.257 210 L HN 0.553 nan 8.230 nan 0.000 0.435 211 E N 1.577 121.646 120.200 -0.218 0.000 2.608 211 E HA -0.166 4.183 4.350 -0.001 0.000 0.259 211 E C -1.443 175.229 176.600 0.119 0.000 0.951 211 E CA 0.130 56.533 56.400 0.004 0.000 0.945 211 E CB 0.469 30.085 29.700 -0.140 0.000 0.916 211 E HN 0.369 nan 8.360 nan 0.000 0.477 212 Y N 3.577 123.902 120.300 0.042 0.000 2.326 212 Y HA 0.451 5.000 4.550 -0.001 0.000 0.337 212 Y C -0.764 175.127 175.900 -0.016 0.000 1.023 212 Y CA -0.879 57.213 58.100 -0.013 0.000 1.143 212 Y CB 1.074 39.504 38.460 -0.051 0.000 1.183 212 Y HN 0.471 nan 8.280 nan 0.000 0.485 213 A N 9.398 131.932 122.820 -0.477 0.000 2.341 213 A HA 0.423 4.742 4.320 -0.001 0.000 0.326 213 A C -2.045 175.104 177.584 -0.725 0.000 1.402 213 A CA -1.616 50.149 52.037 -0.452 0.000 0.957 213 A CB 0.111 18.977 19.000 -0.223 0.000 1.151 213 A HN 0.724 nan 8.150 nan 0.000 0.533 214 P HA -0.075 nan 4.420 nan 0.000 0.226 214 P C 0.666 177.814 177.300 -0.253 0.000 1.153 214 P CA 0.617 63.313 63.100 -0.674 0.000 0.777 214 P CB 0.258 31.765 31.700 -0.321 0.000 0.794 215 L N -1.280 119.829 121.223 -0.191 0.000 2.628 215 L HA 0.355 4.694 4.340 -0.001 0.000 0.229 215 L C 1.473 178.304 176.870 -0.065 0.000 1.137 215 L CA 0.499 55.283 54.840 -0.093 0.000 0.909 215 L CB -1.183 40.834 42.059 -0.071 0.000 1.137 215 L HN 0.110 nan 8.230 nan 0.000 0.470 216 G N -0.347 108.401 108.800 -0.087 0.000 2.642 216 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.231 216 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.231 216 G C 0.126 175.011 174.900 -0.024 0.000 1.338 216 G CA -0.164 44.914 45.100 -0.036 0.000 0.883 216 G HN 0.419 nan 8.290 nan 0.000 0.570 217 T N -2.141 112.426 114.554 0.021 0.000 2.913 217 T HA 0.558 4.907 4.350 -0.001 0.000 0.287 217 T C 1.574 176.322 174.700 0.080 0.000 1.008 217 T CA 0.263 62.391 62.100 0.046 0.000 1.067 217 T CB 1.704 70.626 68.868 0.091 0.000 0.996 217 T HN 1.320 nan 8.240 nan 0.000 0.513 218 V N 1.870 121.828 119.914 0.073 0.000 2.490 218 V HA -0.104 4.016 4.120 -0.001 0.000 0.250 218 V C 2.043 178.302 176.094 0.275 0.000 1.061 218 V CA 1.667 64.046 62.300 0.132 0.000 1.064 218 V CB -1.410 30.440 31.823 0.046 0.000 0.670 218 V HN 0.952 nan 8.190 nan 0.000 0.461 219 Y N 1.307 121.681 120.300 0.123 0.000 2.128 219 Y HA -0.296 4.253 4.550 -0.001 0.000 0.284 219 Y C 2.804 178.763 175.900 0.098 0.000 1.154 219 Y CA 2.388 60.554 58.100 0.110 0.000 1.149 219 Y CB -0.171 38.323 38.460 0.058 0.000 0.976 219 Y HN 0.077 nan 8.280 nan 0.000 0.505 220 R N -0.012 120.610 120.500 0.203 0.000 2.092 220 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 220 R C 2.131 178.464 176.300 0.056 0.000 1.119 220 R CA 1.646 57.806 56.100 0.100 0.000 0.970 220 R CB -0.223 30.155 30.300 0.130 0.000 0.864 220 R HN 0.338 nan 8.270 nan 0.000 0.440 221 E N 0.556 120.830 120.200 0.123 0.000 2.106 221 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 221 E C 1.773 178.528 176.600 0.258 0.000 0.984 221 E CA 0.812 57.324 56.400 0.187 0.000 0.806 221 E CB -0.211 29.614 29.700 0.208 0.000 0.750 221 E HN 0.241 nan 8.360 nan 0.000 0.458 222 L N 0.817 122.155 121.223 0.192 0.000 2.046 222 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 222 L C 2.109 178.857 176.870 -0.202 0.000 1.077 222 L CA 1.838 56.566 54.840 -0.187 0.000 0.747 222 L CB -0.623 41.270 42.059 -0.276 0.000 0.896 222 L HN 0.206 nan 8.230 nan 0.000 0.432 223 Q N -0.441 119.221 119.800 -0.231 0.000 2.077 223 Q HA -0.318 4.021 4.340 -0.001 0.000 0.206 223 Q C 2.239 178.186 176.000 -0.088 0.000 0.989 223 Q CA 2.392 58.077 55.803 -0.196 0.000 0.853 223 Q CB -0.321 28.298 28.738 -0.199 0.000 0.907 223 Q HN 0.578 nan 8.270 nan 0.000 0.418 224 K N 0.127 120.506 120.400 -0.035 0.000 2.057 224 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 224 K C 1.614 178.218 176.600 0.007 0.000 1.050 224 K CA 1.028 57.315 56.287 -0.000 0.000 0.935 224 K CB 0.128 32.644 32.500 0.027 0.000 0.715 224 K HN 0.062 nan 8.250 nan 0.000 0.439 225 L N 0.638 121.878 121.223 0.029 0.000 2.477 225 L HA 0.170 4.509 4.340 -0.001 0.000 0.220 225 L C 1.094 177.942 176.870 -0.037 0.000 1.106 225 L CA 0.980 55.842 54.840 0.036 0.000 0.851 225 L CB 0.390 42.546 42.059 0.161 0.000 0.994 225 L HN 0.340 nan 8.230 nan 0.000 0.462 226 S N -0.886 114.757 115.700 -0.094 0.000 1.467 226 S HA -0.238 4.231 4.470 -0.001 0.000 0.243 226 S C 0.500 174.993 174.600 -0.178 0.000 0.713 226 S CA 1.833 59.961 58.200 -0.121 0.000 1.248 226 S CB -0.913 62.237 63.200 -0.083 0.000 1.485 226 S HN 0.620 nan 8.310 nan 0.000 0.508 227 K N 0.136 120.428 120.400 -0.181 0.000 2.556 227 K HA 0.717 5.036 4.320 -0.001 0.000 0.274 227 K C -1.468 175.071 176.600 -0.102 0.000 0.966 227 K CA -0.983 55.170 56.287 -0.223 0.000 0.865 227 K CB 1.004 33.448 32.500 -0.094 0.000 1.444 227 K HN 0.046 nan 8.250 nan 0.000 0.433 228 F N 1.520 121.497 119.950 0.044 0.000 2.399 228 F HA 0.231 4.757 4.527 -0.001 0.000 0.328 228 F C 0.651 176.455 175.800 0.006 0.000 1.084 228 F CA -0.918 57.073 58.000 -0.015 0.000 1.053 228 F CB 0.830 39.784 39.000 -0.077 0.000 1.209 228 F HN 0.737 nan 8.300 nan 0.000 0.502 229 D N -0.232 120.271 120.400 0.171 0.000 2.414 229 D HA 0.094 4.733 4.640 -0.001 0.000 0.251 229 D C 0.505 176.867 176.300 0.102 0.000 1.252 229 D CA -0.246 53.810 54.000 0.094 0.000 0.999 229 D CB 0.421 41.231 40.800 0.016 0.000 1.093 229 D HN 0.622 nan 8.370 nan 0.000 0.515 230 E N -1.003 119.255 120.200 0.096 0.000 2.208 230 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 230 E C 1.749 178.249 176.600 -0.166 0.000 0.988 230 E CA 0.736 57.197 56.400 0.101 0.000 0.828 230 E CB 0.016 29.804 29.700 0.147 0.000 0.763 230 E HN 0.401 nan 8.360 nan 0.000 0.478 231 Q N 0.632 120.326 119.800 -0.177 0.000 2.049 231 Q HA -0.096 4.243 4.340 -0.001 0.000 0.198 231 Q C 2.058 177.885 176.000 -0.287 0.000 0.971 231 Q CA 1.239 56.897 55.803 -0.242 0.000 0.833 231 Q CB -0.224 28.400 28.738 -0.190 0.000 0.896 231 Q HN 0.108 nan 8.270 nan 0.000 0.434 232 R N -0.192 120.112 120.500 -0.327 0.000 2.070 232 R HA -0.139 4.200 4.340 -0.001 0.000 0.233 232 R C 1.962 177.864 176.300 -0.663 0.000 1.137 232 R CA 1.953 57.693 56.100 -0.601 0.000 0.945 232 R CB -0.440 29.476 30.300 -0.640 0.000 0.845 232 R HN 0.255 nan 8.270 nan 0.000 0.430 233 T N 0.719 115.115 114.554 -0.262 0.000 2.635 233 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 233 T C 1.853 176.640 174.700 0.145 0.000 1.040 233 T CA 1.695 63.846 62.100 0.085 0.000 1.156 233 T CB -0.485 68.635 68.868 0.419 0.000 0.863 233 T HN 0.512 nan 8.240 nan 0.000 0.430 234 A N 1.140 123.933 122.820 -0.045 0.000 1.933 234 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 234 A C 2.549 180.112 177.584 -0.035 0.000 1.175 234 A CA 2.109 54.081 52.037 -0.107 0.000 0.628 234 A CB -1.164 17.531 19.000 -0.509 0.000 0.814 234 A HN 0.520 nan 8.150 nan 0.000 0.444 235 T N -1.109 113.373 114.554 -0.120 0.000 2.737 235 T HA -0.109 4.240 4.350 -0.001 0.000 0.265 235 T C 1.766 176.511 174.700 0.075 0.000 1.038 235 T CA 1.454 63.505 62.100 -0.081 0.000 1.144 235 T CB -0.435 68.312 68.868 -0.201 0.000 0.866 235 T HN 0.480 nan 8.240 nan 0.000 0.434 236 Y N 1.392 121.679 120.300 -0.022 0.000 2.151 236 Y HA -0.072 4.477 4.550 -0.001 0.000 0.284 236 Y C 2.441 178.441 175.900 0.168 0.000 1.166 236 Y CA -0.220 57.909 58.100 0.048 0.000 1.163 236 Y CB -0.888 37.564 38.460 -0.014 0.000 0.974 236 Y HN 0.176 nan 8.280 nan 0.000 0.511 237 I N -0.716 120.081 120.570 0.377 0.000 2.315 237 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 237 I C 2.134 178.370 176.117 0.198 0.000 1.117 237 I CA 1.430 62.912 61.300 0.303 0.000 1.404 237 I CB -1.594 36.595 38.000 0.315 0.000 1.071 237 I HN 0.187 nan 8.210 nan 0.000 0.419 238 T N 0.769 115.419 114.554 0.160 0.000 2.684 238 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 238 T C 1.808 176.579 174.700 0.119 0.000 1.036 238 T CA 1.561 63.730 62.100 0.117 0.000 1.148 238 T CB -0.224 68.690 68.868 0.076 0.000 0.863 238 T HN 0.406 nan 8.240 nan 0.000 0.436 239 E N 0.506 120.788 120.200 0.137 0.000 2.077 239 E HA -0.042 4.308 4.350 -0.001 0.000 0.193 239 E C 2.261 178.930 176.600 0.117 0.000 0.989 239 E CA 0.818 57.298 56.400 0.132 0.000 0.800 239 E CB -0.250 29.533 29.700 0.139 0.000 0.746 239 E HN 0.398 nan 8.360 nan 0.000 0.452 240 L N 0.469 121.766 121.223 0.123 0.000 2.056 240 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 240 L C 2.571 179.467 176.870 0.044 0.000 1.078 240 L CA 0.938 55.827 54.840 0.082 0.000 0.749 240 L CB -0.427 41.704 42.059 0.119 0.000 0.901 240 L HN 0.148 nan 8.230 nan 0.000 0.433 241 A N 0.470 123.332 122.820 0.070 0.000 1.883 241 A HA -0.276 4.043 4.320 -0.001 0.000 0.217 241 A C 1.999 179.592 177.584 0.015 0.000 1.186 241 A CA 2.371 54.435 52.037 0.045 0.000 0.624 241 A CB -0.957 18.090 19.000 0.079 0.000 0.822 241 A HN 0.530 nan 8.150 nan 0.000 0.444 242 N N -0.066 118.666 118.700 0.054 0.000 2.069 242 N HA -0.126 4.613 4.740 -0.001 0.000 0.191 242 N C 1.936 177.400 175.510 -0.077 0.000 1.031 242 N CA 1.257 54.352 53.050 0.074 0.000 0.852 242 N CB -0.259 38.336 38.487 0.181 0.000 1.018 242 N HN 0.521 nan 8.380 nan 0.000 0.423 243 A N 0.883 123.600 122.820 -0.171 0.000 1.898 243 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 243 A C 2.118 179.549 177.584 -0.255 0.000 1.181 243 A CA 0.926 52.689 52.037 -0.457 0.000 0.620 243 A CB -0.565 18.303 19.000 -0.220 0.000 0.819 243 A HN 0.164 nan 8.150 nan 0.000 0.442 244 L N -0.845 120.265 121.223 -0.189 0.000 2.109 244 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 244 L C 2.861 179.430 176.870 -0.502 0.000 1.086 244 L CA 1.314 55.975 54.840 -0.298 0.000 0.760 244 L CB -0.403 41.508 42.059 -0.247 0.000 0.910 244 L HN 0.473 nan 8.230 nan 0.000 0.437 245 S N -0.659 114.872 115.700 -0.281 0.000 2.368 245 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 245 S C 2.094 176.659 174.600 -0.058 0.000 1.030 245 S CA 1.239 59.344 58.200 -0.159 0.000 0.999 245 S CB -0.344 62.852 63.200 -0.006 0.000 0.844 245 S HN 0.494 nan 8.310 nan 0.000 0.459 246 Y N 1.339 121.542 120.300 -0.162 0.000 2.181 246 Y HA -0.163 4.387 4.550 -0.001 0.000 0.288 246 Y C 2.609 178.466 175.900 -0.071 0.000 1.146 246 Y CA 1.535 59.574 58.100 -0.101 0.000 1.164 246 Y CB -0.994 37.358 38.460 -0.180 0.000 0.982 246 Y HN 0.387 nan 8.280 nan 0.000 0.515 247 C N 0.332 119.540 119.300 -0.154 0.000 2.398 247 C HA -0.247 4.212 4.460 -0.001 0.000 0.276 247 C C 2.569 177.532 174.990 -0.045 0.000 1.222 247 C CA 1.855 60.791 59.018 -0.136 0.000 1.746 247 C CB -1.585 26.122 27.740 -0.056 0.000 2.039 247 C HN 0.681 nan 8.230 nan 0.000 0.470 248 H N 0.489 119.516 119.070 -0.073 0.000 2.387 248 H HA -0.137 4.418 4.556 -0.001 0.000 0.299 248 H C 2.481 177.766 175.328 -0.072 0.000 1.090 248 H CA 1.500 57.521 56.048 -0.045 0.000 1.332 248 H CB -0.123 29.637 29.762 -0.005 0.000 1.386 248 H HN 0.615 nan 8.280 nan 0.000 0.516 249 S N 0.716 116.422 115.700 0.011 0.000 2.419 249 S HA -0.090 4.379 4.470 -0.001 0.000 0.233 249 S C 1.606 176.137 174.600 -0.115 0.000 1.016 249 S CA 0.933 59.102 58.200 -0.053 0.000 0.974 249 S CB 0.073 63.230 63.200 -0.072 0.000 0.786 249 S HN 0.201 nan 8.310 nan 0.000 0.492 250 K N 0.952 121.235 120.400 -0.195 0.000 2.437 250 K HA 0.274 4.593 4.320 -0.001 0.000 0.205 250 K C -0.077 176.486 176.600 -0.062 0.000 1.026 250 K CA -0.184 56.005 56.287 -0.165 0.000 1.153 250 K CB -0.011 32.317 32.500 -0.288 0.000 0.863 250 K HN 0.410 nan 8.250 nan 0.000 0.502 251 R N -0.142 120.343 120.500 -0.026 0.000 3.423 251 R HA -0.118 4.222 4.340 -0.001 0.000 0.271 251 R C -0.719 175.597 176.300 0.026 0.000 1.093 251 R CA 0.323 56.425 56.100 0.003 0.000 0.730 251 R CB -2.511 27.787 30.300 -0.003 0.000 1.190 251 R HN -0.099 nan 8.270 nan 0.000 0.437 252 V N 1.765 121.710 119.914 0.051 0.000 2.409 252 V HA 0.564 4.683 4.120 -0.001 0.000 0.291 252 V C 0.606 176.796 176.094 0.161 0.000 1.020 252 V CA -0.503 61.844 62.300 0.079 0.000 0.848 252 V CB 2.142 33.994 31.823 0.049 0.000 0.990 252 V HN 0.171 nan 8.190 nan 0.000 0.430 253 I N 2.278 122.937 120.570 0.149 0.000 3.067 253 I HA 0.507 4.676 4.170 -0.001 0.000 0.312 253 I C 0.943 177.206 176.117 0.242 0.000 1.073 253 I CA -0.797 60.619 61.300 0.193 0.000 1.016 253 I CB 1.597 39.660 38.000 0.105 0.000 1.227 253 I HN 0.806 nan 8.210 nan 0.000 0.456 254 H N 1.665 120.814 119.070 0.132 0.000 2.690 254 H HA -0.196 4.359 4.556 -0.001 0.000 0.309 254 H C 0.159 175.531 175.328 0.074 0.000 1.138 254 H CA -0.160 55.939 56.048 0.085 0.000 1.142 254 H CB -0.358 29.425 29.762 0.034 0.000 1.410 254 H HN 0.344 nan 8.280 nan 0.000 0.409 255 R N 1.928 122.447 120.500 0.032 0.000 2.421 255 R HA -0.008 4.331 4.340 -0.001 0.000 0.305 255 R C -0.421 175.804 176.300 -0.126 0.000 1.039 255 R CA 0.061 56.134 56.100 -0.045 0.000 1.003 255 R CB 0.240 30.536 30.300 -0.007 0.000 0.959 255 R HN 0.263 nan 8.270 nan 0.000 0.427 256 D N 4.895 125.184 120.400 -0.184 0.000 2.382 256 D HA -0.034 4.606 4.640 -0.001 0.000 0.259 256 D C 0.538 176.749 176.300 -0.148 0.000 1.224 256 D CA 0.237 54.115 54.000 -0.203 0.000 0.894 256 D CB 0.469 41.167 40.800 -0.170 0.000 1.127 256 D HN 0.678 nan 8.370 nan 0.000 0.487 257 I N 0.271 120.752 120.570 -0.149 0.000 3.833 257 I HA 0.262 4.431 4.170 -0.001 0.000 0.328 257 I C 0.338 176.326 176.117 -0.215 0.000 1.554 257 I CA -0.846 60.382 61.300 -0.120 0.000 1.116 257 I CB 0.172 38.150 38.000 -0.037 0.000 1.182 257 I HN -0.118 nan 8.210 nan 0.000 0.459 258 K N 2.502 122.667 120.400 -0.392 0.000 2.469 258 K HA 0.100 4.419 4.320 -0.001 0.000 0.274 258 K C -1.460 175.014 176.600 -0.210 0.000 0.983 258 K CA -0.930 55.016 56.287 -0.569 0.000 0.974 258 K CB 0.531 32.687 32.500 -0.573 0.000 0.913 258 K HN -0.038 nan 8.250 nan 0.000 0.493 259 P HA -0.249 nan 4.420 nan 0.000 0.216 259 P C 0.860 178.239 177.300 0.131 0.000 1.150 259 P CA 1.310 64.507 63.100 0.161 0.000 0.843 259 P CB 0.106 32.016 31.700 0.349 0.000 0.787 260 E N -0.929 119.287 120.200 0.028 0.000 2.338 260 E HA -0.138 4.211 4.350 -0.001 0.000 0.197 260 E C 0.594 177.142 176.600 -0.087 0.000 1.007 260 E CA 1.028 57.372 56.400 -0.093 0.000 0.849 260 E CB -0.957 28.538 29.700 -0.342 0.000 0.774 260 E HN 0.283 nan 8.360 nan 0.000 0.506 261 N N 0.614 119.259 118.700 -0.093 0.000 2.251 261 N HA 0.233 4.972 4.740 -0.001 0.000 0.217 261 N C -0.452 175.009 175.510 -0.082 0.000 1.124 261 N CA 0.091 53.080 53.050 -0.101 0.000 0.843 261 N CB 0.793 39.204 38.487 -0.126 0.000 1.024 261 N HN 0.173 nan 8.380 nan 0.000 0.501 262 L N 1.045 122.238 121.223 -0.049 0.000 2.356 262 L HA 0.526 4.866 4.340 -0.001 0.000 0.277 262 L C -0.294 176.543 176.870 -0.056 0.000 0.996 262 L CA -0.533 54.276 54.840 -0.052 0.000 0.822 262 L CB 2.014 44.056 42.059 -0.027 0.000 1.256 262 L HN -0.234 nan 8.230 nan 0.000 0.413 263 L N 3.556 124.730 121.223 -0.081 0.000 2.304 263 L HA 0.638 4.977 4.340 -0.001 0.000 0.268 263 L C -0.756 176.048 176.870 -0.110 0.000 1.010 263 L CA -0.797 53.992 54.840 -0.086 0.000 0.813 263 L CB 2.274 44.280 42.059 -0.089 0.000 1.315 263 L HN 0.430 nan 8.230 nan 0.000 0.445 264 L N 0.597 121.754 121.223 -0.110 0.000 2.376 264 L HA 0.539 4.878 4.340 -0.001 0.000 0.275 264 L C 0.375 177.176 176.870 -0.117 0.000 0.987 264 L CA -0.494 54.283 54.840 -0.105 0.000 0.828 264 L CB 1.714 43.722 42.059 -0.085 0.000 1.249 264 L HN 0.651 nan 8.230 nan 0.000 0.409 265 G N 0.433 109.176 108.800 -0.094 0.000 2.621 265 G HA2 0.217 4.176 3.960 -0.001 0.000 0.271 265 G HA3 0.217 4.176 3.960 -0.001 0.000 0.271 265 G C 1.009 175.859 174.900 -0.084 0.000 1.236 265 G CA 0.205 45.246 45.100 -0.097 0.000 0.958 265 G HN 0.713 nan 8.290 nan 0.000 0.512 266 S N -1.141 114.516 115.700 -0.072 0.000 2.419 266 S HA 0.002 4.471 4.470 -0.001 0.000 0.233 266 S C 1.953 176.532 174.600 -0.035 0.000 1.016 266 S CA 1.290 59.459 58.200 -0.053 0.000 0.974 266 S CB -0.089 63.094 63.200 -0.029 0.000 0.786 266 S HN 1.010 nan 8.310 nan 0.000 0.492 267 A N 0.410 123.212 122.820 -0.030 0.000 2.379 267 A HA 0.633 4.952 4.320 -0.001 0.000 0.236 267 A C 1.538 179.104 177.584 -0.029 0.000 1.272 267 A CA 0.242 52.263 52.037 -0.027 0.000 0.886 267 A CB -0.927 18.060 19.000 -0.021 0.000 0.962 267 A HN 1.462 nan 8.150 nan 0.000 0.504 268 G N 0.393 109.175 108.800 -0.030 0.000 2.136 268 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.242 268 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.242 268 G C -0.069 174.845 174.900 0.024 0.000 0.989 268 G CA 0.215 45.305 45.100 -0.016 0.000 0.682 268 G HN 0.899 nan 8.290 nan 0.000 0.522 269 E N 0.837 121.040 120.200 0.004 0.000 2.343 269 E HA 0.522 4.871 4.350 -0.001 0.000 0.269 269 E C 0.470 177.063 176.600 -0.011 0.000 1.047 269 E CA -0.801 55.611 56.400 0.021 0.000 0.874 269 E CB 1.537 31.238 29.700 0.002 0.000 1.033 269 E HN 0.952 nan 8.360 nan 0.000 0.409 270 L N 0.400 121.616 121.223 -0.011 0.000 2.357 270 L HA 0.518 4.857 4.340 -0.001 0.000 0.273 270 L C -0.519 176.323 176.870 -0.046 0.000 1.080 270 L CA -0.269 54.517 54.840 -0.090 0.000 0.803 270 L CB 1.068 42.994 42.059 -0.222 0.000 1.174 270 L HN 0.286 nan 8.230 nan 0.000 0.443 271 K N 5.497 125.857 120.400 -0.066 0.000 2.502 271 K HA 0.470 4.789 4.320 -0.001 0.000 0.254 271 K C -0.859 175.704 176.600 -0.062 0.000 0.947 271 K CA -0.416 55.842 56.287 -0.050 0.000 0.834 271 K CB 1.952 34.414 32.500 -0.063 0.000 1.112 271 K HN 0.728 nan 8.250 nan 0.000 0.427 272 I N 2.628 123.167 120.570 -0.050 0.000 2.587 272 I HA -0.025 4.144 4.170 -0.001 0.000 0.284 272 I C 0.921 176.980 176.117 -0.097 0.000 1.134 272 I CA 0.031 61.289 61.300 -0.069 0.000 1.410 272 I CB 0.597 38.560 38.000 -0.061 0.000 1.392 272 I HN 0.549 nan 8.210 nan 0.000 0.545 273 A N 6.591 129.344 122.820 -0.112 0.000 2.332 273 A HA 0.307 4.626 4.320 -0.001 0.000 0.258 273 A C -0.315 177.143 177.584 -0.211 0.000 1.087 273 A CA -0.579 51.375 52.037 -0.139 0.000 0.802 273 A CB 0.305 19.234 19.000 -0.119 0.000 1.042 273 A HN 0.677 nan 8.150 nan 0.000 0.489 274 D N -0.138 120.087 120.400 -0.293 0.000 2.181 274 D HA 0.487 5.126 4.640 -0.001 0.000 0.248 274 D C -0.324 175.642 176.300 -0.556 0.000 1.020 274 D CA 0.012 53.637 54.000 -0.625 0.000 0.891 274 D CB 0.542 40.762 40.800 -0.966 0.000 1.187 274 D HN 0.450 nan 8.370 nan 0.000 0.443 275 F N -0.221 119.587 119.950 -0.237 0.000 3.040 275 F HA -0.196 4.330 4.527 -0.002 0.000 0.298 275 F C 1.708 177.048 175.800 -0.766 0.000 0.948 275 F CA 0.144 57.759 58.000 -0.643 0.000 1.022 275 F CB -1.882 36.705 39.000 -0.688 0.000 1.023 275 F HN 0.565 nan 8.300 nan 0.000 0.742 276 G N 1.110 109.720 108.800 -0.317 0.000 2.469 276 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.220 276 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.220 276 G C 1.303 176.123 174.900 -0.132 0.000 1.136 276 G CA 0.912 45.900 45.100 -0.186 0.000 0.759 276 G HN 0.845 nan 8.290 nan 0.000 0.562 277 W N 1.757 123.089 121.300 0.054 0.000 2.421 277 W HA -0.046 4.613 4.660 -0.001 0.000 0.270 277 W C 1.899 178.478 176.519 0.100 0.000 1.233 277 W CA 1.078 58.468 57.345 0.074 0.000 1.226 277 W CB -1.242 28.282 29.460 0.106 0.000 1.121 277 W HN 0.378 nan 8.180 nan 0.000 0.579 278 S N 0.354 115.798 115.700 -0.427 0.000 2.607 278 S HA 0.197 4.666 4.470 -0.001 0.000 0.224 278 S C 0.415 174.843 174.600 -0.288 0.000 0.969 278 S CA 0.082 58.121 58.200 -0.269 0.000 0.927 278 S CB -0.546 62.298 63.200 -0.594 0.000 0.772 278 S HN -0.011 nan 8.310 nan 0.000 0.533 279 V N 2.815 122.576 119.914 -0.256 0.000 2.656 279 V HA 0.351 4.470 4.120 -0.001 0.000 0.307 279 V C -0.444 175.526 176.094 -0.207 0.000 1.051 279 V CA -1.057 61.081 62.300 -0.271 0.000 0.893 279 V CB 1.499 33.209 31.823 -0.189 0.000 0.999 279 V HN 0.430 nan 8.190 nan 0.000 0.426 280 H N 2.621 121.606 119.070 -0.143 0.000 3.034 280 H HA 0.230 4.785 4.556 -0.001 0.000 0.324 280 H C 0.657 175.919 175.328 -0.110 0.000 1.015 280 H CA 0.623 56.602 56.048 -0.115 0.000 1.429 280 H CB 0.775 30.471 29.762 -0.110 0.000 1.429 280 H HN 0.869 nan 8.280 nan 0.000 0.585 281 A N 6.205 129.051 122.820 0.044 0.000 2.448 281 A HA 0.241 4.560 4.320 -0.001 0.000 0.239 281 A C -1.504 176.036 177.584 -0.073 0.000 1.080 281 A CA -0.816 51.194 52.037 -0.045 0.000 0.779 281 A CB -0.378 18.610 19.000 -0.019 0.000 1.026 281 A HN 0.566 nan 8.150 nan 0.000 0.499 282 P HA 0.481 nan 4.420 nan 0.000 0.284 282 P C -0.019 177.257 177.300 -0.040 0.000 1.287 282 P CA 0.753 63.767 63.100 -0.143 0.000 0.824 282 P CB 1.018 32.497 31.700 -0.368 0.000 1.180 293 L N 2.646 123.938 121.223 0.114 0.000 2.043 293 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 293 L C 2.095 178.988 176.870 0.037 0.000 1.075 293 L CA 2.139 56.987 54.840 0.014 0.000 0.752 293 L CB -0.352 41.603 42.059 -0.174 0.000 0.891 293 L HN 0.753 nan 8.230 nan 0.000 0.432 294 D N -1.508 118.952 120.400 0.100 0.000 2.203 294 D HA -0.256 4.383 4.640 -0.001 0.000 0.199 294 D C 1.693 178.028 176.300 0.059 0.000 0.997 294 D CA 1.649 55.708 54.000 0.099 0.000 0.863 294 D CB -0.029 40.850 40.800 0.131 0.000 0.928 294 D HN 0.491 nan 8.370 nan 0.000 0.458 295 Y N 0.033 120.407 120.300 0.124 0.000 2.462 295 Y HA 0.211 4.760 4.550 -0.002 0.000 0.261 295 Y C 0.936 176.987 175.900 0.252 0.000 1.146 295 Y CA -0.142 58.069 58.100 0.185 0.000 1.283 295 Y CB 0.396 38.923 38.460 0.112 0.000 1.090 295 Y HN -0.179 nan 8.280 nan 0.000 0.526 296 L N 4.116 125.458 121.223 0.198 0.000 2.367 296 L HA 0.173 4.513 4.340 -0.001 0.000 0.275 296 L C -2.072 174.593 176.870 -0.341 0.000 1.129 296 L CA -1.906 52.925 54.840 -0.015 0.000 0.839 296 L CB 0.454 42.457 42.059 -0.094 0.000 1.133 296 L HN -0.117 nan 8.230 nan 0.000 0.453 297 P HA 0.167 nan 4.420 nan 0.000 0.274 297 P C -2.337 174.303 177.300 -1.099 0.000 1.237 297 P CA -1.661 60.480 63.100 -1.599 0.000 0.793 297 P CB 0.304 31.310 31.700 -1.156 0.000 0.977 298 P HA -0.190 nan 4.420 nan 0.000 0.216 298 P C 1.552 178.488 177.300 -0.606 0.000 1.150 298 P CA 1.645 64.247 63.100 -0.829 0.000 0.837 298 P CB -0.224 30.940 31.700 -0.894 0.000 0.786 299 E N -0.208 119.641 120.200 -0.584 0.000 2.153 299 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 299 E C 1.730 178.154 176.600 -0.293 0.000 0.988 299 E CA 1.282 57.462 56.400 -0.366 0.000 0.811 299 E CB -1.110 28.424 29.700 -0.277 0.000 0.746 299 E HN 0.311 nan 8.360 nan 0.000 0.466 300 M N 0.758 120.128 119.600 -0.383 0.000 2.506 300 M HA 0.114 4.593 4.480 -0.001 0.000 0.260 300 M C 2.440 178.601 176.300 -0.233 0.000 1.104 300 M CA 0.846 55.945 55.300 -0.334 0.000 1.112 300 M CB -0.100 32.216 32.600 -0.474 0.000 1.401 300 M HN 0.219 nan 8.290 nan 0.000 0.473 301 I N -2.890 117.516 120.570 -0.274 0.000 3.039 301 I HA 0.054 4.223 4.170 -0.001 0.000 0.270 301 I C 1.471 177.540 176.117 -0.080 0.000 1.150 301 I CA 0.732 61.917 61.300 -0.191 0.000 1.448 301 I CB -0.313 37.432 38.000 -0.426 0.000 1.197 301 I HN 0.085 nan 8.210 nan 0.000 0.450 302 E N 1.796 121.901 120.200 -0.159 0.000 2.285 302 E HA 0.130 4.479 4.350 -0.001 0.000 0.194 302 E C 0.935 177.531 176.600 -0.007 0.000 0.997 302 E CA 0.712 57.090 56.400 -0.037 0.000 0.845 302 E CB 0.172 29.827 29.700 -0.075 0.000 0.782 302 E HN 0.790 nan 8.360 nan 0.000 0.491 303 G N 1.298 110.071 108.800 -0.045 0.000 2.247 303 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.111 303 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.111 303 G C -0.301 174.581 174.900 -0.029 0.000 1.045 303 G CA -0.545 44.543 45.100 -0.021 0.000 0.715 303 G HN -0.003 nan 8.290 nan 0.000 0.485 304 R N -0.815 119.655 120.500 -0.050 0.000 2.919 304 R HA 0.733 5.072 4.340 -0.001 0.000 0.260 304 R C 0.890 177.174 176.300 -0.027 0.000 1.067 304 R CA -1.116 54.957 56.100 -0.044 0.000 1.003 304 R CB 0.951 31.213 30.300 -0.062 0.000 1.192 304 R HN 0.263 nan 8.270 nan 0.000 0.488 305 M N 2.715 122.292 119.600 -0.038 0.000 2.252 305 M HA 0.061 4.540 4.480 -0.001 0.000 0.333 305 M C 0.190 176.470 176.300 -0.034 0.000 1.111 305 M CA 0.838 56.100 55.300 -0.063 0.000 1.140 305 M CB 0.246 32.794 32.600 -0.087 0.000 1.538 305 M HN 0.589 nan 8.290 nan 0.000 0.448 306 H N -0.610 118.394 119.070 -0.110 0.000 2.941 306 H HA 0.700 5.256 4.556 -0.001 0.000 0.344 306 H C -1.746 173.523 175.328 -0.099 0.000 1.235 306 H CA -0.901 55.072 56.048 -0.126 0.000 1.149 306 H CB 2.245 31.902 29.762 -0.174 0.000 1.885 306 H HN 0.582 nan 8.280 nan 0.000 0.558 307 D N -1.205 119.230 120.400 0.058 0.000 2.825 307 D HA 0.008 4.647 4.640 -0.001 0.000 0.327 307 D C 0.866 177.180 176.300 0.024 0.000 1.277 307 D CA -0.117 53.866 54.000 -0.027 0.000 0.950 307 D CB 1.541 42.316 40.800 -0.041 0.000 1.438 307 D HN 0.775 nan 8.370 nan 0.000 0.526 308 E N 0.496 120.641 120.200 -0.092 0.000 2.409 308 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 308 E C 0.624 177.218 176.600 -0.011 0.000 1.024 308 E CA 0.717 56.997 56.400 -0.199 0.000 0.861 308 E CB 0.090 29.389 29.700 -0.668 0.000 0.788 308 E HN 0.118 nan 8.360 nan 0.000 0.521 309 K N 1.158 121.572 120.400 0.023 0.000 2.362 309 K HA -0.068 4.251 4.320 -0.001 0.000 0.200 309 K C 2.320 178.992 176.600 0.120 0.000 1.046 309 K CA 1.076 57.411 56.287 0.079 0.000 0.952 309 K CB -0.361 32.171 32.500 0.053 0.000 0.753 309 K HN 0.345 nan 8.250 nan 0.000 0.466 310 V N -0.379 119.596 119.914 0.102 0.000 2.392 310 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 310 V C 1.505 177.745 176.094 0.242 0.000 1.059 310 V CA 1.927 64.292 62.300 0.109 0.000 1.051 310 V CB -0.417 31.405 31.823 -0.002 0.000 0.658 310 V HN 0.057 nan 8.190 nan 0.000 0.455 311 D N 0.271 120.823 120.400 0.254 0.000 2.269 311 D HA -0.012 4.627 4.640 -0.001 0.000 0.208 311 D C 2.184 178.614 176.300 0.218 0.000 0.963 311 D CA 0.885 55.040 54.000 0.258 0.000 0.864 311 D CB -0.037 40.944 40.800 0.303 0.000 0.936 311 D HN 0.364 nan 8.370 nan 0.000 0.505 312 L N 0.096 121.449 121.223 0.215 0.000 2.056 312 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 312 L C 2.339 179.312 176.870 0.173 0.000 1.078 312 L CA 1.097 56.040 54.840 0.172 0.000 0.749 312 L CB -1.126 41.029 42.059 0.160 0.000 0.901 312 L HN 0.327 nan 8.230 nan 0.000 0.433 313 W N 1.070 122.389 121.300 0.033 0.000 2.355 313 W HA -0.219 4.440 4.660 -0.001 0.000 0.309 313 W C 2.482 179.007 176.519 0.010 0.000 1.206 313 W CA 1.748 59.093 57.345 -0.000 0.000 1.284 313 W CB -0.276 29.167 29.460 -0.028 0.000 1.145 313 W HN 0.129 nan 8.180 nan 0.000 0.502 314 S N 1.372 117.259 115.700 0.311 0.000 2.365 314 S HA -0.256 4.213 4.470 -0.001 0.000 0.225 314 S C 1.723 176.374 174.600 0.085 0.000 1.039 314 S CA 1.798 60.151 58.200 0.254 0.000 1.033 314 S CB -0.853 62.509 63.200 0.269 0.000 0.887 314 S HN 0.183 nan 8.310 nan 0.000 0.447 315 L N 1.534 122.791 121.223 0.057 0.000 2.131 315 L HA 0.012 4.351 4.340 -0.001 0.000 0.210 315 L C 2.345 179.167 176.870 -0.079 0.000 1.092 315 L CA 1.655 56.505 54.840 0.017 0.000 0.759 315 L CB -1.359 40.734 42.059 0.056 0.000 0.903 315 L HN 0.354 nan 8.230 nan 0.000 0.435 316 G N -1.524 107.168 108.800 -0.180 0.000 2.433 316 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 316 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 316 G C 1.599 176.244 174.900 -0.424 0.000 1.186 316 G CA 0.975 45.881 45.100 -0.322 0.000 0.779 316 G HN 0.269 nan 8.290 nan 0.000 0.543 317 V N 0.837 120.418 119.914 -0.554 0.000 2.287 317 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 317 V C 2.775 178.641 176.094 -0.379 0.000 1.053 317 V CA 1.431 63.362 62.300 -0.614 0.000 1.027 317 V CB -0.475 30.872 31.823 -0.794 0.000 0.646 317 V HN 0.306 nan 8.190 nan 0.000 0.447 318 L N -0.729 120.375 121.223 -0.199 0.000 2.027 318 L HA -0.244 4.095 4.340 -0.001 0.000 0.206 318 L C 2.698 179.286 176.870 -0.471 0.000 1.074 318 L CA 2.242 56.907 54.840 -0.293 0.000 0.745 318 L CB -0.548 41.340 42.059 -0.285 0.000 0.898 318 L HN 0.549 nan 8.230 nan 0.000 0.433 319 C N -0.696 118.484 119.300 -0.201 0.000 2.398 319 C HA -0.303 4.156 4.460 -0.001 0.000 0.276 319 C C 2.759 177.782 174.990 0.055 0.000 1.222 319 C CA 1.411 60.446 59.018 0.027 0.000 1.746 319 C CB -0.953 26.815 27.740 0.047 0.000 2.039 319 C HN 0.608 nan 8.230 nan 0.000 0.470 320 Y N 1.049 121.242 120.300 -0.178 0.000 2.133 320 Y HA -0.171 4.378 4.550 -0.001 0.000 0.287 320 Y C 2.514 178.352 175.900 -0.103 0.000 1.134 320 Y CA 2.360 60.358 58.100 -0.170 0.000 1.133 320 Y CB -0.570 37.657 38.460 -0.387 0.000 0.987 320 Y HN 0.467 nan 8.280 nan 0.000 0.502 321 E N -0.384 119.897 120.200 0.134 0.000 2.130 321 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 321 E C 1.902 178.580 176.600 0.130 0.000 0.998 321 E CA 1.608 58.069 56.400 0.101 0.000 0.806 321 E CB -0.323 29.408 29.700 0.051 0.000 0.738 321 E HN 0.453 nan 8.360 nan 0.000 0.459 322 F N 0.615 120.620 119.950 0.091 0.000 2.075 322 F HA -0.144 4.382 4.527 -0.001 0.000 0.297 322 F C 2.187 178.012 175.800 0.041 0.000 1.113 322 F CA 0.997 59.054 58.000 0.095 0.000 1.218 322 F CB -0.860 38.370 39.000 0.383 0.000 0.984 322 F HN 0.088 nan 8.300 nan 0.000 0.472 323 L N -1.212 120.185 121.223 0.290 0.000 2.156 323 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 323 L C 2.086 179.071 176.870 0.192 0.000 1.095 323 L CA 0.538 55.512 54.840 0.223 0.000 0.770 323 L CB -0.524 41.633 42.059 0.164 0.000 0.914 323 L HN -0.061 nan 8.230 nan 0.000 0.439 324 V N -1.198 118.737 119.914 0.036 0.000 2.949 324 V HA 0.261 4.381 4.120 -0.001 0.000 0.245 324 V C 1.710 177.855 176.094 0.085 0.000 1.086 324 V CA 1.078 63.417 62.300 0.066 0.000 1.097 324 V CB 0.201 31.853 31.823 -0.284 0.000 0.762 324 V HN 0.589 nan 8.190 nan 0.000 0.470 325 G N 1.258 110.074 108.800 0.027 0.000 2.194 325 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.236 325 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.236 325 G C 0.216 175.130 174.900 0.023 0.000 0.987 325 G CA 0.336 45.425 45.100 -0.017 0.000 0.635 325 G HN 0.700 nan 8.290 nan 0.000 0.520 326 K N -0.072 120.376 120.400 0.080 0.000 2.482 326 K HA 0.752 5.071 4.320 -0.001 0.000 0.257 326 K C -3.340 173.330 176.600 0.116 0.000 0.969 326 K CA -2.276 54.065 56.287 0.090 0.000 0.842 326 K CB 3.257 35.802 32.500 0.075 0.000 1.359 326 K HN 0.035 nan 8.250 nan 0.000 0.441 327 P HA 0.151 nan 4.420 nan 0.000 0.277 327 P C -2.097 174.951 177.300 -0.420 0.000 1.240 327 P CA -1.535 61.452 63.100 -0.189 0.000 0.798 327 P CB 0.604 32.183 31.700 -0.201 0.000 0.979 328 P HA -0.038 nan 4.420 nan 0.000 0.223 328 P C 0.508 177.164 177.300 -1.073 0.000 1.151 328 P CA 1.392 63.534 63.100 -1.596 0.000 0.787 328 P CB -0.137 30.069 31.700 -2.489 0.000 0.788 329 F N -0.429 119.316 119.950 -0.342 0.000 2.639 329 F HA 0.292 4.818 4.527 -0.001 0.000 0.302 329 F C 1.081 176.813 175.800 -0.113 0.000 1.097 329 F CA -1.126 56.768 58.000 -0.178 0.000 1.294 329 F CB -0.537 38.378 39.000 -0.143 0.000 1.027 329 F HN -0.140 nan 8.300 nan 0.000 0.550 330 E N 1.681 121.877 120.200 -0.007 0.000 2.452 330 E HA 0.382 4.732 4.350 -0.001 0.000 0.261 330 E C -0.163 176.458 176.600 0.036 0.000 0.987 330 E CA 0.110 56.523 56.400 0.021 0.000 0.926 330 E CB 0.609 30.314 29.700 0.008 0.000 0.934 330 E HN 0.316 nan 8.360 nan 0.000 0.452 331 A N 3.686 126.533 122.820 0.046 0.000 2.599 331 A HA 0.242 4.561 4.320 -0.001 0.000 0.290 331 A C -0.012 177.603 177.584 0.052 0.000 1.101 331 A CA -0.582 51.483 52.037 0.047 0.000 0.674 331 A CB 1.085 20.117 19.000 0.052 0.000 1.277 331 A HN 0.826 nan 8.150 nan 0.000 0.419 332 N N -0.726 118.004 118.700 0.051 0.000 2.331 332 N HA -0.024 4.715 4.740 -0.001 0.000 0.180 332 N C 0.399 175.949 175.510 0.067 0.000 1.019 332 N CA 1.480 54.562 53.050 0.053 0.000 0.881 332 N CB 0.116 38.629 38.487 0.044 0.000 0.972 332 N HN 0.832 nan 8.380 nan 0.000 0.435 333 T N -4.035 110.565 114.554 0.075 0.000 2.916 333 T HA 0.154 4.503 4.350 -0.001 0.000 0.292 333 T C 0.470 175.251 174.700 0.134 0.000 1.055 333 T CA -0.859 61.304 62.100 0.105 0.000 1.009 333 T CB 1.684 70.607 68.868 0.091 0.000 1.118 333 T HN 0.021 nan 8.240 nan 0.000 0.497 334 Y N 1.850 122.180 120.300 0.050 0.000 2.097 334 Y HA -0.234 4.315 4.550 -0.001 0.000 0.282 334 Y C 2.971 178.922 175.900 0.085 0.000 1.152 334 Y CA 2.570 60.709 58.100 0.066 0.000 1.136 334 Y CB -0.187 38.300 38.460 0.045 0.000 0.975 334 Y HN 0.883 nan 8.280 nan 0.000 0.498 335 Q N -0.339 119.612 119.800 0.252 0.000 2.124 335 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 335 Q C 2.095 178.163 176.000 0.114 0.000 0.977 335 Q CA 1.842 57.735 55.803 0.150 0.000 0.850 335 Q CB -0.602 28.184 28.738 0.081 0.000 0.901 335 Q HN 0.635 nan 8.270 nan 0.000 0.429 336 E N 0.599 120.851 120.200 0.087 0.000 2.047 336 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 336 E C 1.776 178.413 176.600 0.061 0.000 0.987 336 E CA 1.810 58.252 56.400 0.071 0.000 0.799 336 E CB 0.046 29.782 29.700 0.060 0.000 0.752 336 E HN 0.483 nan 8.360 nan 0.000 0.449 337 T N 0.377 114.949 114.554 0.031 0.000 2.665 337 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 337 T C 1.525 176.187 174.700 -0.064 0.000 1.035 337 T CA 1.628 63.721 62.100 -0.012 0.000 1.151 337 T CB -0.617 68.211 68.868 -0.067 0.000 0.862 337 T HN 0.324 nan 8.240 nan 0.000 0.438 338 Y N 2.036 122.214 120.300 -0.204 0.000 2.081 338 Y HA -0.198 4.352 4.550 -0.001 0.000 0.280 338 Y C 2.361 178.183 175.900 -0.130 0.000 1.163 338 Y CA 1.486 59.468 58.100 -0.196 0.000 1.135 338 Y CB -0.243 38.132 38.460 -0.142 0.000 0.970 338 Y HN 0.072 nan 8.280 nan 0.000 0.498 339 K N -0.537 119.985 120.400 0.203 0.000 2.032 339 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 339 K C 2.162 178.765 176.600 0.006 0.000 1.048 339 K CA 1.451 57.808 56.287 0.118 0.000 0.927 339 K CB -0.118 32.445 32.500 0.105 0.000 0.712 339 K HN 0.172 nan 8.250 nan 0.000 0.441 340 R N 0.785 121.290 120.500 0.008 0.000 2.091 340 R HA -0.093 4.246 4.340 -0.001 0.000 0.238 340 R C 2.273 178.472 176.300 -0.167 0.000 1.136 340 R CA 1.300 57.428 56.100 0.046 0.000 0.959 340 R CB -0.788 29.620 30.300 0.181 0.000 0.856 340 R HN 0.298 nan 8.270 nan 0.000 0.437 341 I N 0.825 121.111 120.570 -0.473 0.000 2.202 341 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 341 I C 2.583 178.421 176.117 -0.464 0.000 1.091 341 I CA 1.676 62.462 61.300 -0.857 0.000 1.368 341 I CB -0.456 37.097 38.000 -0.744 0.000 1.058 341 I HN 0.193 nan 8.210 nan 0.000 0.410 342 S N 1.121 116.604 115.700 -0.361 0.000 2.399 342 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 342 S C 2.044 176.633 174.600 -0.019 0.000 1.022 342 S CA 1.058 59.132 58.200 -0.210 0.000 0.983 342 S CB -0.333 62.740 63.200 -0.213 0.000 0.803 342 S HN 0.406 nan 8.310 nan 0.000 0.480 343 R N 0.182 120.664 120.500 -0.031 0.000 2.334 343 R HA 0.334 4.673 4.340 -0.001 0.000 0.216 343 R C -0.015 176.340 176.300 0.090 0.000 0.905 343 R CA 0.469 56.572 56.100 0.004 0.000 1.064 343 R CB 0.327 30.630 30.300 0.005 0.000 1.046 343 R HN 0.270 nan 8.270 nan 0.000 0.508 344 V N 2.043 122.054 119.914 0.161 0.000 5.961 344 V HA -0.252 3.867 4.120 -0.001 0.000 0.311 344 V C -0.656 175.705 176.094 0.445 0.000 0.552 344 V CA 1.254 63.798 62.300 0.406 0.000 0.641 344 V CB -1.839 30.249 31.823 0.443 0.000 0.286 344 V HN 0.424 nan 8.190 nan 0.000 0.939 345 E N 1.401 121.857 120.200 0.428 0.000 2.063 345 E HA 0.672 5.022 4.350 -0.001 0.000 0.265 345 E C -0.304 176.471 176.600 0.292 0.000 0.919 345 E CA -0.418 56.118 56.400 0.226 0.000 0.756 345 E CB 1.194 30.969 29.700 0.124 0.000 1.120 345 E HN 0.667 nan 8.360 nan 0.000 0.414 346 F N -0.347 119.551 119.950 -0.087 0.000 2.686 346 F HA 0.706 5.232 4.527 -0.001 0.000 0.311 346 F C -0.826 174.773 175.800 -0.335 0.000 1.128 346 F CA -0.882 56.896 58.000 -0.369 0.000 0.946 346 F CB 1.449 39.928 39.000 -0.868 0.000 1.336 346 F HN 0.156 nan 8.300 nan 0.000 0.457 347 T N -1.213 113.114 114.554 -0.379 0.000 2.865 347 T HA 0.740 5.089 4.350 -0.001 0.000 0.294 347 T C -1.460 173.097 174.700 -0.239 0.000 1.119 347 T CA -0.791 61.091 62.100 -0.363 0.000 1.007 347 T CB 1.867 70.633 68.868 -0.169 0.000 1.225 347 T HN 0.546 nan 8.240 nan 0.000 0.515 348 F N 1.182 121.132 119.950 -0.000 0.000 2.450 348 F HA 0.617 5.143 4.527 -0.001 0.000 0.332 348 F C -2.024 173.657 175.800 -0.198 0.000 1.093 348 F CA -2.188 55.763 58.000 -0.081 0.000 1.003 348 F CB 0.855 39.762 39.000 -0.155 0.000 1.151 348 F HN 0.402 nan 8.300 nan 0.000 0.474 349 P HA 0.071 nan 4.420 nan 0.000 0.270 349 P C 0.128 177.224 177.300 -0.340 0.000 1.223 349 P CA -0.092 62.831 63.100 -0.294 0.000 0.785 349 P CB 0.760 32.115 31.700 -0.574 0.000 0.923 350 D N 0.084 120.384 120.400 -0.166 0.000 2.219 350 D HA -0.109 4.530 4.640 -0.001 0.000 0.205 350 D C 1.552 177.801 176.300 -0.084 0.000 0.970 350 D CA 1.127 55.075 54.000 -0.087 0.000 0.851 350 D CB -0.460 40.342 40.800 0.004 0.000 0.943 350 D HN 0.493 nan 8.370 nan 0.000 0.488 351 F N 0.263 120.209 119.950 -0.007 0.000 2.451 351 F HA 0.048 4.574 4.527 -0.001 0.000 0.299 351 F C 0.827 176.609 175.800 -0.030 0.000 1.101 351 F CA -0.201 57.791 58.000 -0.013 0.000 1.436 351 F CB -1.017 37.979 39.000 -0.007 0.000 1.074 351 F HN -0.345 nan 8.300 nan 0.000 0.553 352 V N 3.198 122.852 119.914 -0.434 0.000 2.529 352 V HA 0.078 4.197 4.120 -0.001 0.000 0.292 352 V C 0.973 176.930 176.094 -0.229 0.000 1.028 352 V CA -0.036 62.084 62.300 -0.301 0.000 1.074 352 V CB 0.095 31.669 31.823 -0.416 0.000 0.958 352 V HN 0.533 nan 8.190 nan 0.000 0.481 353 T N 1.451 115.924 114.554 -0.135 0.000 2.828 353 T HA 0.202 4.551 4.350 -0.001 0.000 0.290 353 T C 0.948 175.505 174.700 -0.238 0.000 1.019 353 T CA -0.356 61.682 62.100 -0.103 0.000 1.031 353 T CB 1.158 70.064 68.868 0.063 0.000 1.001 353 T HN 0.593 nan 8.240 nan 0.000 0.531 354 E N 1.287 121.397 120.200 -0.150 0.000 2.106 354 E HA 0.061 4.410 4.350 -0.001 0.000 0.192 354 E C 2.296 178.790 176.600 -0.177 0.000 0.984 354 E CA 1.743 58.040 56.400 -0.171 0.000 0.806 354 E CB -1.057 28.595 29.700 -0.081 0.000 0.750 354 E HN 0.886 nan 8.360 nan 0.000 0.458 355 G N 0.334 109.077 108.800 -0.096 0.000 2.446 355 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 355 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 355 G C 1.691 176.229 174.900 -0.603 0.000 1.168 355 G CA 1.248 46.314 45.100 -0.055 0.000 0.771 355 G HN 0.431 nan 8.290 nan 0.000 0.551 356 A N 0.827 122.937 122.820 -1.183 0.000 1.877 356 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 356 A C 2.426 179.567 177.584 -0.739 0.000 1.186 356 A CA 1.732 52.942 52.037 -1.377 0.000 0.620 356 A CB -0.478 17.867 19.000 -1.091 0.000 0.822 356 A HN 0.351 nan 8.150 nan 0.000 0.443 357 R N -0.693 119.387 120.500 -0.699 0.000 2.117 357 R HA -0.217 4.122 4.340 -0.001 0.000 0.243 357 R C 1.988 178.105 176.300 -0.306 0.000 1.143 357 R CA 1.866 57.497 56.100 -0.782 0.000 0.968 357 R CB -0.451 29.331 30.300 -0.864 0.000 0.863 357 R HN 0.743 nan 8.270 nan 0.000 0.444 358 D N 0.074 120.335 120.400 -0.231 0.000 2.103 358 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 358 D C 1.797 178.070 176.300 -0.045 0.000 0.978 358 D CA 0.570 54.543 54.000 -0.045 0.000 0.829 358 D CB 0.082 40.927 40.800 0.074 0.000 0.981 358 D HN 0.019 nan 8.370 nan 0.000 0.464 359 L N 0.452 121.522 121.223 -0.255 0.000 2.017 359 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 359 L C 2.081 178.842 176.870 -0.182 0.000 1.073 359 L CA 1.564 56.163 54.840 -0.401 0.000 0.745 359 L CB -0.556 41.097 42.059 -0.676 0.000 0.894 359 L HN 0.211 nan 8.230 nan 0.000 0.432 360 I N -1.051 119.427 120.570 -0.152 0.000 2.226 360 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 360 I C 2.354 178.481 176.117 0.016 0.000 1.100 360 I CA 1.433 62.695 61.300 -0.063 0.000 1.374 360 I CB -0.420 37.632 38.000 0.087 0.000 1.057 360 I HN 0.225 nan 8.210 nan 0.000 0.413 361 S N 0.283 116.085 115.700 0.169 0.000 2.382 361 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 361 S C 2.031 176.713 174.600 0.135 0.000 1.027 361 S CA 1.094 59.443 58.200 0.249 0.000 0.991 361 S CB -0.243 63.113 63.200 0.260 0.000 0.823 361 S HN 0.372 nan 8.310 nan 0.000 0.469 362 R N 0.494 121.040 120.500 0.077 0.000 2.115 362 R HA 0.077 4.417 4.340 -0.001 0.000 0.230 362 R C 2.003 178.340 176.300 0.062 0.000 1.111 362 R CA 0.916 57.062 56.100 0.076 0.000 0.976 362 R CB -0.310 30.036 30.300 0.076 0.000 0.870 362 R HN 0.361 nan 8.270 nan 0.000 0.445 363 L N 0.259 121.485 121.223 0.005 0.000 2.162 363 L HA -0.009 4.331 4.340 -0.001 0.000 0.205 363 L C 1.117 177.964 176.870 -0.039 0.000 1.086 363 L CA 0.551 55.382 54.840 -0.016 0.000 0.778 363 L CB 0.016 42.023 42.059 -0.087 0.000 0.928 363 L HN 0.111 nan 8.230 nan 0.000 0.446 364 L N 1.488 122.616 121.223 -0.159 0.000 2.727 364 L HA 0.123 4.462 4.340 -0.001 0.000 0.237 364 L C -0.041 176.960 176.870 0.218 0.000 1.370 364 L CA -0.008 54.671 54.840 -0.269 0.000 1.248 364 L CB -0.611 41.048 42.059 -0.668 0.000 1.556 364 L HN 0.084 nan 8.230 nan 0.000 0.420 365 K N -0.537 120.048 120.400 0.309 0.000 2.130 365 K HA 0.117 4.436 4.320 -0.001 0.000 0.268 365 K C 0.607 177.426 176.600 0.365 0.000 0.983 365 K CA -0.536 55.937 56.287 0.311 0.000 0.893 365 K CB 2.026 34.648 32.500 0.204 0.000 1.066 365 K HN 0.115 nan 8.250 nan 0.000 0.450 366 H N 1.567 120.759 119.070 0.203 0.000 2.353 366 H HA -0.110 4.445 4.556 -0.002 0.000 0.300 366 H C 0.458 175.793 175.328 0.011 0.000 1.090 366 H CA 1.508 57.597 56.048 0.069 0.000 1.327 366 H CB 0.281 30.062 29.762 0.031 0.000 1.383 366 H HN 0.422 nan 8.280 nan 0.000 0.508 367 N N 0.827 119.625 118.700 0.162 0.000 2.401 367 N HA 0.010 4.749 4.740 -0.001 0.000 0.255 367 N C -1.931 173.610 175.510 0.052 0.000 1.110 367 N CA -2.009 51.091 53.050 0.083 0.000 0.949 367 N CB 1.140 39.691 38.487 0.107 0.000 1.110 367 N HN 0.186 nan 8.380 nan 0.000 0.490 368 P HA -0.053 nan 4.420 nan 0.000 0.220 368 P C 0.773 178.099 177.300 0.043 0.000 1.148 368 P CA 0.972 64.084 63.100 0.020 0.000 0.803 368 P CB 0.251 31.936 31.700 -0.024 0.000 0.782 369 S N -0.070 115.651 115.700 0.035 0.000 2.447 369 S HA -0.130 4.339 4.470 -0.001 0.000 0.233 369 S C 1.774 176.407 174.600 0.054 0.000 1.006 369 S CA 0.966 59.189 58.200 0.038 0.000 0.957 369 S CB -0.722 62.496 63.200 0.030 0.000 0.773 369 S HN 0.385 nan 8.310 nan 0.000 0.507 370 Q N 0.352 120.193 119.800 0.068 0.000 2.451 370 Q HA 0.138 4.477 4.340 -0.001 0.000 0.206 370 Q C 0.268 176.322 176.000 0.091 0.000 0.947 370 Q CA 0.217 56.067 55.803 0.079 0.000 0.937 370 Q CB 0.182 28.974 28.738 0.089 0.000 1.025 370 Q HN 0.435 nan 8.270 nan 0.000 0.511 371 R N 2.146 122.704 120.500 0.097 0.000 2.490 371 R HA 0.182 4.521 4.340 -0.001 0.000 0.280 371 R C -2.177 174.180 176.300 0.095 0.000 1.077 371 R CA -1.589 54.575 56.100 0.107 0.000 1.065 371 R CB 0.107 30.484 30.300 0.127 0.000 1.003 371 R HN 0.011 nan 8.270 nan 0.000 0.470 372 P HA 0.010 nan 4.420 nan 0.000 0.274 372 P C -0.474 176.886 177.300 0.099 0.000 1.260 372 P CA -0.073 63.085 63.100 0.096 0.000 0.793 372 P CB 0.637 32.400 31.700 0.105 0.000 1.048 373 M N -0.148 119.510 119.600 0.097 0.000 2.283 373 M HA 0.187 4.666 4.480 -0.001 0.000 0.314 373 M C 1.804 178.171 176.300 0.111 0.000 1.153 373 M CA -0.449 54.913 55.300 0.103 0.000 1.084 373 M CB 0.304 32.958 32.600 0.090 0.000 1.468 373 M HN 0.182 nan 8.290 nan 0.000 0.474 374 L N 0.392 121.687 121.223 0.120 0.000 2.131 374 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 374 L C 2.341 179.271 176.870 0.100 0.000 1.092 374 L CA 1.262 56.167 54.840 0.108 0.000 0.759 374 L CB -0.523 41.595 42.059 0.097 0.000 0.903 374 L HN 0.670 nan 8.230 nan 0.000 0.435 375 R N 0.383 120.940 120.500 0.096 0.000 2.083 375 R HA -0.166 4.173 4.340 -0.001 0.000 0.237 375 R C 2.070 178.428 176.300 0.097 0.000 1.137 375 R CA 1.354 57.508 56.100 0.089 0.000 0.951 375 R CB -0.563 29.785 30.300 0.079 0.000 0.851 375 R HN 0.405 nan 8.270 nan 0.000 0.434 376 E N 0.037 120.300 120.200 0.104 0.000 2.204 376 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 376 E C 1.803 178.499 176.600 0.160 0.000 0.989 376 E CA 1.014 57.487 56.400 0.121 0.000 0.824 376 E CB 0.054 29.823 29.700 0.115 0.000 0.756 376 E HN 0.098 nan 8.360 nan 0.000 0.477 377 V N 1.304 121.303 119.914 0.142 0.000 2.307 377 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 377 V C 2.214 178.408 176.094 0.168 0.000 1.045 377 V CA 1.354 63.744 62.300 0.150 0.000 1.024 377 V CB -0.338 31.554 31.823 0.116 0.000 0.651 377 V HN 0.268 nan 8.190 nan 0.000 0.449 378 L N -0.298 121.004 121.223 0.132 0.000 2.362 378 L HA -0.113 4.226 4.340 -0.001 0.000 0.219 378 L C 1.957 178.895 176.870 0.115 0.000 1.134 378 L CA 1.349 56.258 54.840 0.116 0.000 0.807 378 L CB -0.306 41.808 42.059 0.092 0.000 0.927 378 L HN 0.425 nan 8.230 nan 0.000 0.447 379 E N -2.284 117.993 120.200 0.128 0.000 2.538 379 E HA 0.029 4.378 4.350 -0.001 0.000 0.207 379 E C -0.075 176.600 176.600 0.126 0.000 1.002 379 E CA -0.216 56.247 56.400 0.104 0.000 0.952 379 E CB 0.334 30.081 29.700 0.078 0.000 1.031 379 E HN 0.366 nan 8.360 nan 0.000 0.476 380 H N 1.347 120.474 119.070 0.095 0.000 2.848 380 H HA 0.025 4.580 4.556 -0.001 0.000 0.341 380 H C -1.678 173.725 175.328 0.126 0.000 1.060 380 H CA -1.379 54.739 56.048 0.118 0.000 1.444 380 H CB 1.116 30.972 29.762 0.157 0.000 1.446 380 H HN -0.152 nan 8.280 nan 0.000 0.583 381 P HA -0.186 nan 4.420 nan 0.000 0.216 381 P C 1.055 178.446 177.300 0.151 0.000 1.150 381 P CA 1.181 64.254 63.100 -0.046 0.000 0.843 381 P CB -0.073 31.555 31.700 -0.119 0.000 0.787 382 W N 0.234 121.656 121.300 0.203 0.000 2.355 382 W HA -0.164 4.496 4.660 -0.001 0.000 0.309 382 W C 1.939 178.560 176.519 0.170 0.000 1.206 382 W CA 1.283 58.769 57.345 0.234 0.000 1.284 382 W CB -0.685 28.957 29.460 0.305 0.000 1.145 382 W HN -0.228 nan 8.180 nan 0.000 0.502 383 I N 0.621 121.390 120.570 0.332 0.000 2.179 383 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 383 I C 2.543 178.632 176.117 -0.047 0.000 1.088 383 I CA 2.332 63.675 61.300 0.072 0.000 1.357 383 I CB -1.992 36.131 38.000 0.204 0.000 1.051 383 I HN 0.172 nan 8.210 nan 0.000 0.409 384 T N -0.712 113.852 114.554 0.017 0.000 2.904 384 T HA 0.032 4.381 4.350 -0.001 0.000 0.267 384 T C 2.010 176.669 174.700 -0.068 0.000 1.059 384 T CA 0.954 63.043 62.100 -0.018 0.000 1.137 384 T CB -0.426 68.448 68.868 0.011 0.000 0.879 384 T HN 0.255 nan 8.240 nan 0.000 0.467 385 A N 2.072 124.838 122.820 -0.090 0.000 1.969 385 A HA 0.001 4.320 4.320 -0.001 0.000 0.218 385 A C 2.364 179.832 177.584 -0.194 0.000 1.169 385 A CA 1.264 53.231 52.037 -0.118 0.000 0.635 385 A CB -0.411 18.535 19.000 -0.090 0.000 0.810 385 A HN 0.553 nan 8.150 nan 0.000 0.445 386 N N -1.071 117.439 118.700 -0.317 0.000 2.407 386 N HA 0.062 4.801 4.740 -0.001 0.000 0.182 386 N C 0.307 175.643 175.510 -0.291 0.000 1.079 386 N CA 0.253 53.073 53.050 -0.383 0.000 0.882 386 N CB 0.212 38.266 38.487 -0.722 0.000 1.106 386 N HN 0.271 nan 8.380 nan 0.000 0.461 387 S N 0.373 115.931 115.700 -0.237 0.000 2.565 387 S HA 0.308 4.777 4.470 -0.001 0.000 0.274 387 S C 0.229 174.760 174.600 -0.115 0.000 1.309 387 S CA -0.353 57.754 58.200 -0.155 0.000 1.043 387 S CB 0.950 64.091 63.200 -0.098 0.000 0.939 387 S HN 0.253 nan 8.310 nan 0.000 0.504 388 S N 0.000 115.641 115.700 -0.098 0.000 2.498 388 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 388 S CA 0.000 58.139 58.200 -0.102 0.000 1.107 388 S CB 0.000 63.158 63.200 -0.070 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517