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 2c2b_1_E DATA FIRST_RESID 35 DATA SEQUENCE AVNPFSAKYV PFNAAPGSTE SYSLDEIVYR SRSGGLLDVE HDMEALKRFD DATA SEQUENCE GAYWRDLFDS RVGKSTWPYG SGVWSKKEWV LPEIDDDDIV SAFEGNSNLF DATA SEQUENCE WAERFGKQFL GMNDLWVKHC GISHTGSFXD LGMTVLVSQV NRLRKMKRPV DATA SEQUENCE VGVGCASTGD TSAALSAYCA SAGIPSIVFL PANKISMAQL VQPIANGAFV DATA SEQUENCE LSIDTDFDGC MKLIREITAE LPIYLANSLN SLRLEGQKTA AIEILQQFDW DATA SEQUENCE QVPDWVIVPG GNLGNIYAFY KGFKMCQELG LVDRIPRMVC AQAANANPLY DATA SEQUENCE LHYKSGWKDX XXXXXXXXXX XXXXXXXXVS IDRAVYALKK CNGIVEEATE DATA SEQUENCE EELMDAMAQA DSTGMFICPH TGVALTALFK LRNQGVIAPT DRTVVVSTAH DATA SEQUENCE GLKFTQSKID YHSNAIPDMA CRFSNPPVDV KADFGAVMDV LKSYLGSNTL 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.598 177.584 0.024 0.000 1.274 35 A CA 0.000 52.057 52.037 0.033 0.000 0.836 35 A CB 0.000 19.022 19.000 0.037 0.000 0.831 36 V N -0.606 119.321 119.914 0.021 0.000 3.351 36 V HA 0.238 4.358 4.120 -0.000 0.000 0.364 36 V C 0.328 176.418 176.094 -0.007 0.000 1.219 36 V CA 0.251 62.554 62.300 0.006 0.000 1.382 36 V CB -1.083 30.745 31.823 0.008 0.000 1.203 36 V HN 0.638 nan 8.190 nan 0.000 0.448 37 N N 2.925 121.627 118.700 0.002 0.000 2.414 37 N HA 0.411 5.151 4.740 -0.000 0.000 0.256 37 N C -0.714 174.744 175.510 -0.087 0.000 1.029 37 N CA -2.040 51.003 53.050 -0.011 0.000 0.948 37 N CB 1.707 40.243 38.487 0.082 0.000 1.102 37 N HN 0.213 nan 8.380 nan 0.000 0.496 38 P HA 0.052 nan 4.420 nan 0.000 0.229 38 P C -0.497 176.662 177.300 -0.235 0.000 1.160 38 P CA 0.574 63.475 63.100 -0.333 0.000 0.777 38 P CB 0.126 31.516 31.700 -0.517 0.000 0.814 39 F N 1.383 121.440 119.950 0.179 0.000 2.385 39 F HA 0.456 4.983 4.527 -0.000 0.000 0.336 39 F C 1.190 177.079 175.800 0.149 0.000 1.100 39 F CA -0.641 57.475 58.000 0.193 0.000 1.116 39 F CB 0.970 40.124 39.000 0.256 0.000 1.166 39 F HN -0.122 nan 8.300 nan 0.000 0.511 40 S N 0.667 116.560 115.700 0.322 0.000 2.570 40 S HA 0.962 5.432 4.470 -0.000 0.000 0.270 40 S C -1.230 173.424 174.600 0.090 0.000 1.149 40 S CA -0.792 57.510 58.200 0.170 0.000 0.837 40 S CB 1.780 65.040 63.200 0.100 0.000 1.124 40 S HN 1.105 nan 8.310 nan 0.000 0.465 41 A N 1.172 123.967 122.820 -0.042 0.000 2.539 41 A HA 0.954 5.274 4.320 -0.000 0.000 0.296 41 A C -1.104 176.353 177.584 -0.211 0.000 1.073 41 A CA -0.929 50.958 52.037 -0.249 0.000 0.700 41 A CB 1.699 20.327 19.000 -0.619 0.000 1.296 41 A HN 1.232 nan 8.150 nan 0.000 0.405 42 K N 0.348 120.612 120.400 -0.227 0.000 2.555 42 K HA 0.554 4.874 4.320 -0.000 0.000 0.279 42 K C -1.760 174.754 176.600 -0.143 0.000 0.986 42 K CA -0.758 55.424 56.287 -0.175 0.000 0.880 42 K CB 1.111 33.578 32.500 -0.056 0.000 1.474 42 K HN 0.563 nan 8.250 nan 0.000 0.433 43 Y N 0.609 120.947 120.300 0.064 0.000 2.377 43 Y HA 0.347 4.897 4.550 -0.000 0.000 0.330 43 Y C 0.001 175.975 175.900 0.124 0.000 1.108 43 Y CA -0.453 57.718 58.100 0.119 0.000 1.308 43 Y CB 1.562 40.139 38.460 0.196 0.000 1.216 43 Y HN 0.163 nan 8.280 nan 0.000 0.518 44 V N 5.662 125.745 119.914 0.281 0.000 2.760 44 V HA 0.331 4.451 4.120 -0.000 0.000 0.309 44 V C -2.393 173.812 176.094 0.184 0.000 1.077 44 V CA -2.542 59.860 62.300 0.170 0.000 0.910 44 V CB 2.437 34.315 31.823 0.092 0.000 1.008 44 V HN 0.538 nan 8.190 nan 0.000 0.424 45 P HA 0.035 nan 4.420 nan 0.000 0.265 45 P C -0.569 176.803 177.300 0.119 0.000 1.193 45 P CA 0.026 63.205 63.100 0.132 0.000 0.765 45 P CB 0.160 31.909 31.700 0.081 0.000 0.823 46 F N 5.466 125.408 119.950 -0.013 0.000 2.556 46 F HA 0.085 4.612 4.527 -0.000 0.000 0.344 46 F C 0.922 176.659 175.800 -0.105 0.000 1.255 46 F CA 0.877 58.831 58.000 -0.076 0.000 1.091 46 F CB -1.148 37.776 39.000 -0.126 0.000 1.325 46 F HN 0.446 nan 8.300 nan 0.000 0.627 47 N N 2.458 120.892 118.700 -0.443 0.000 2.061 47 N HA -0.126 4.614 4.740 -0.000 0.000 0.231 47 N C -0.594 174.814 175.510 -0.170 0.000 0.913 47 N CA -0.019 52.803 53.050 -0.381 0.000 1.219 47 N CB -0.987 37.257 38.487 -0.405 0.000 1.665 47 N HN 1.118 nan 8.380 nan 0.000 0.411 48 A N -0.723 122.023 122.820 -0.124 0.000 3.040 48 A HA 0.095 4.415 4.320 -0.000 0.000 0.279 48 A C 1.093 178.641 177.584 -0.060 0.000 1.380 48 A CA 1.896 53.893 52.037 -0.067 0.000 0.734 48 A CB -1.929 17.047 19.000 -0.039 0.000 1.061 48 A HN 1.606 nan 8.150 nan 0.000 0.446 49 A N 0.391 123.172 122.820 -0.064 0.000 1.892 49 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 49 A C -0.242 177.323 177.584 -0.033 0.000 1.188 49 A CA 1.874 53.881 52.037 -0.050 0.000 0.631 49 A CB -1.344 17.629 19.000 -0.044 0.000 0.822 49 A HN 0.874 nan 8.150 nan 0.000 0.447 50 P HA 0.348 nan 4.420 nan 0.000 0.259 50 P C 0.488 177.777 177.300 -0.019 0.000 1.635 50 P CA 0.752 63.840 63.100 -0.018 0.000 1.199 50 P CB -0.420 31.272 31.700 -0.014 0.000 1.850 51 G N 2.080 110.868 108.800 -0.020 0.000 2.390 51 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.299 51 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.299 51 G C 0.446 175.333 174.900 -0.022 0.000 1.002 51 G CA 0.281 45.370 45.100 -0.019 0.000 0.979 51 G HN 0.654 nan 8.290 nan 0.000 0.513 52 S N -0.636 115.049 115.700 -0.026 0.000 2.549 52 S HA 0.498 4.968 4.470 -0.000 0.000 0.283 52 S C 1.506 176.087 174.600 -0.033 0.000 1.320 52 S CA 0.954 59.138 58.200 -0.028 0.000 1.058 52 S CB 0.544 63.727 63.200 -0.028 0.000 0.882 52 S HN 1.213 nan 8.310 nan 0.000 0.498 53 T N 1.017 115.547 114.554 -0.041 0.000 3.200 53 T HA 0.323 4.673 4.350 -0.000 0.000 0.284 53 T C 0.102 174.750 174.700 -0.086 0.000 1.009 53 T CA -0.506 61.562 62.100 -0.052 0.000 0.907 53 T CB -0.149 68.692 68.868 -0.045 0.000 1.120 53 T HN 0.689 nan 8.240 nan 0.000 0.534 54 E N 2.498 122.642 120.200 -0.093 0.000 2.324 54 E HA 0.393 4.743 4.350 -0.000 0.000 0.271 54 E C -0.471 175.997 176.600 -0.221 0.000 1.028 54 E CA -0.181 56.115 56.400 -0.173 0.000 0.890 54 E CB 0.394 30.036 29.700 -0.096 0.000 1.004 54 E HN 0.581 nan 8.360 nan 0.000 0.431 55 S N 3.493 118.942 115.700 -0.419 0.000 2.547 55 S HA 0.464 4.934 4.470 -0.000 0.000 0.270 55 S C -1.503 172.777 174.600 -0.534 0.000 1.150 55 S CA -0.913 57.093 58.200 -0.324 0.000 0.850 55 S CB 0.625 63.754 63.200 -0.118 0.000 1.118 55 S HN 0.419 nan 8.310 nan 0.000 0.461 56 Y N 0.391 120.764 120.300 0.122 0.000 2.477 56 Y HA 0.691 5.241 4.550 -0.000 0.000 0.347 56 Y C 0.720 176.717 175.900 0.163 0.000 0.981 56 Y CA -0.864 57.325 58.100 0.148 0.000 1.033 56 Y CB 2.090 40.653 38.460 0.171 0.000 1.245 56 Y HN 0.840 nan 8.280 nan 0.000 0.455 57 S N 1.905 117.753 115.700 0.246 0.000 2.568 57 S HA 0.087 4.557 4.470 -0.000 0.000 0.282 57 S C 1.056 175.748 174.600 0.154 0.000 1.338 57 S CA -0.313 57.967 58.200 0.133 0.000 1.045 57 S CB 0.317 63.577 63.200 0.100 0.000 0.873 57 S HN 0.764 nan 8.310 nan 0.000 0.516 58 L N 2.855 124.048 121.223 -0.050 0.000 2.362 58 L HA -0.033 4.307 4.340 -0.000 0.000 0.219 58 L C 1.383 178.299 176.870 0.078 0.000 1.134 58 L CA 0.698 55.447 54.840 -0.152 0.000 0.807 58 L CB -0.316 41.578 42.059 -0.274 0.000 0.927 58 L HN 0.594 nan 8.230 nan 0.000 0.447 59 D N -0.250 120.198 120.400 0.081 0.000 2.347 59 D HA -0.011 4.629 4.640 -0.000 0.000 0.213 59 D C 0.636 177.004 176.300 0.113 0.000 0.985 59 D CA 0.458 54.507 54.000 0.082 0.000 0.879 59 D CB 0.139 40.973 40.800 0.056 0.000 0.919 59 D HN 0.405 nan 8.370 nan 0.000 0.526 60 E N 0.196 120.491 120.200 0.160 0.000 2.349 60 E HA 0.295 4.645 4.350 -0.000 0.000 0.265 60 E C -0.196 176.461 176.600 0.094 0.000 1.064 60 E CA -0.563 55.911 56.400 0.125 0.000 0.886 60 E CB 1.529 31.316 29.700 0.145 0.000 1.036 60 E HN -0.043 nan 8.360 nan 0.000 0.413 61 I N 2.776 123.342 120.570 -0.006 0.000 2.281 61 I HA 0.089 4.258 4.170 -0.000 0.000 0.293 61 I C -0.610 175.245 176.117 -0.436 0.000 1.085 61 I CA -0.197 61.010 61.300 -0.154 0.000 1.257 61 I CB 0.394 38.350 38.000 -0.073 0.000 1.430 61 I HN 0.127 nan 8.210 nan 0.000 0.489 62 V N 2.769 122.277 119.914 -0.677 0.000 2.808 62 V HA 0.452 4.572 4.120 -0.000 0.000 0.308 62 V C -0.551 174.992 176.094 -0.918 0.000 1.099 62 V CA -0.625 61.210 62.300 -0.775 0.000 0.920 62 V CB 1.297 32.638 31.823 -0.803 0.000 1.014 62 V HN 0.563 nan 8.190 nan 0.000 0.425 63 Y N 2.507 122.577 120.300 -0.383 0.000 2.607 63 Y HA 0.417 4.966 4.550 -0.000 0.000 0.276 63 Y C 1.214 176.961 175.900 -0.256 0.000 1.117 63 Y CA -0.066 57.845 58.100 -0.315 0.000 1.273 63 Y CB 0.674 38.978 38.460 -0.259 0.000 1.282 63 Y HN 0.718 nan 8.280 nan 0.000 0.514 64 R N -0.254 120.185 120.500 -0.102 0.000 2.836 64 R HA 0.630 4.970 4.340 -0.000 0.000 0.269 64 R C -0.390 175.847 176.300 -0.105 0.000 1.010 64 R CA -0.733 55.321 56.100 -0.078 0.000 0.930 64 R CB 1.147 31.430 30.300 -0.029 0.000 1.218 64 R HN -0.030 nan 8.270 nan 0.000 0.473 65 S N -0.096 115.597 115.700 -0.012 0.000 2.608 65 S HA 0.076 4.545 4.470 -0.000 0.000 0.261 65 S C 1.098 175.740 174.600 0.070 0.000 1.314 65 S CA -0.364 57.880 58.200 0.074 0.000 0.992 65 S CB 1.383 64.648 63.200 0.109 0.000 0.935 65 S HN 0.889 nan 8.310 nan 0.000 0.564 66 R N 0.454 121.042 120.500 0.146 0.000 2.103 66 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 66 R C 2.313 178.649 176.300 0.059 0.000 1.142 66 R CA 2.055 58.219 56.100 0.108 0.000 0.960 66 R CB -0.962 29.412 30.300 0.123 0.000 0.858 66 R HN 0.714 nan 8.270 nan 0.000 0.439 67 S N -1.595 114.138 115.700 0.055 0.000 2.383 67 S HA 0.010 4.480 4.470 -0.000 0.000 0.227 67 S C 1.302 175.919 174.600 0.028 0.000 1.026 67 S CA 1.623 59.844 58.200 0.037 0.000 0.981 67 S CB -0.097 63.124 63.200 0.035 0.000 0.818 67 S HN 0.774 nan 8.310 nan 0.000 0.472 68 G N -0.683 108.133 108.800 0.028 0.000 2.205 68 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.180 68 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.180 68 G C 0.432 175.342 174.900 0.016 0.000 1.004 68 G CA 0.108 45.216 45.100 0.014 0.000 0.670 68 G HN 0.899 nan 8.290 nan 0.000 0.496 69 G N -0.413 108.405 108.800 0.030 0.000 2.516 69 G HA2 0.568 4.527 3.960 -0.000 0.000 0.276 69 G HA3 0.568 4.527 3.960 -0.000 0.000 0.276 69 G C 0.313 175.232 174.900 0.033 0.000 1.390 69 G CA -0.653 44.469 45.100 0.038 0.000 1.050 69 G HN 0.611 nan 8.290 nan 0.000 0.519 70 L N -0.171 121.077 121.223 0.041 0.000 2.350 70 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 70 L C -0.010 176.901 176.870 0.068 0.000 1.099 70 L CA -0.835 54.012 54.840 0.012 0.000 0.808 70 L CB 1.177 43.186 42.059 -0.083 0.000 1.149 70 L HN 0.180 nan 8.230 nan 0.000 0.442 71 L N 2.739 123.986 121.223 0.041 0.000 2.453 71 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 71 L C -0.028 176.942 176.870 0.166 0.000 1.179 71 L CA 0.520 55.417 54.840 0.095 0.000 0.813 71 L CB 0.678 42.715 42.059 -0.037 0.000 1.110 71 L HN 0.539 nan 8.230 nan 0.000 0.466 72 D N 0.440 120.996 120.400 0.261 0.000 2.990 72 D HA 0.220 4.860 4.640 -0.000 0.000 0.227 72 D C -1.455 175.007 176.300 0.269 0.000 1.249 72 D CA -0.350 53.820 54.000 0.283 0.000 0.891 72 D CB 2.370 43.370 40.800 0.333 0.000 1.647 72 D HN 0.115 nan 8.370 nan 0.000 0.530 73 V N 3.671 123.712 119.914 0.212 0.000 2.405 73 V HA 0.156 4.276 4.120 -0.000 0.000 0.264 73 V C 0.550 176.640 176.094 -0.006 0.000 1.048 73 V CA -0.032 62.289 62.300 0.035 0.000 0.966 73 V CB 0.858 32.657 31.823 -0.041 0.000 1.015 73 V HN 0.422 nan 8.190 nan 0.000 0.477 74 E N 4.969 125.131 120.200 -0.062 0.000 2.156 74 E HA 0.315 4.664 4.350 -0.000 0.000 0.279 74 E C -0.677 175.831 176.600 -0.154 0.000 0.965 74 E CA -0.684 55.697 56.400 -0.032 0.000 0.789 74 E CB 0.727 30.437 29.700 0.017 0.000 1.098 74 E HN 0.733 nan 8.360 nan 0.000 0.397 75 H N 2.690 121.741 119.070 -0.031 0.000 2.481 75 H HA 0.046 4.602 4.556 -0.000 0.000 0.339 75 H C -0.573 174.744 175.328 -0.019 0.000 1.131 75 H CA -0.562 55.464 56.048 -0.036 0.000 1.301 75 H CB 1.411 31.113 29.762 -0.100 0.000 1.476 75 H HN 0.568 nan 8.280 nan 0.000 0.529 76 D N 3.303 123.786 120.400 0.137 0.000 2.385 76 D HA -0.053 4.587 4.640 -0.000 0.000 0.260 76 D C 1.047 177.417 176.300 0.117 0.000 1.326 76 D CA -0.031 54.039 54.000 0.117 0.000 1.023 76 D CB 0.314 41.198 40.800 0.141 0.000 1.083 76 D HN 0.350 nan 8.370 nan 0.000 0.517 77 M N 1.935 121.564 119.600 0.049 0.000 2.394 77 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 77 M C 1.478 177.806 176.300 0.047 0.000 1.073 77 M CA 0.823 56.120 55.300 -0.006 0.000 1.111 77 M CB -0.313 32.255 32.600 -0.053 0.000 1.401 77 M HN 0.330 nan 8.290 nan 0.000 0.448 78 E N 0.592 120.830 120.200 0.064 0.000 2.106 78 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 78 E C 2.132 178.800 176.600 0.113 0.000 0.984 78 E CA 1.406 57.845 56.400 0.065 0.000 0.806 78 E CB -0.374 29.350 29.700 0.040 0.000 0.750 78 E HN 0.474 nan 8.360 nan 0.000 0.458 79 A N 0.861 123.790 122.820 0.181 0.000 1.929 79 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 79 A C 2.352 180.273 177.584 0.561 0.000 1.176 79 A CA 0.818 53.025 52.037 0.283 0.000 0.628 79 A CB -0.521 18.656 19.000 0.295 0.000 0.816 79 A HN 0.161 nan 8.150 nan 0.000 0.444 80 L N -0.871 120.665 121.223 0.521 0.000 2.072 80 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 80 L C 2.301 179.511 176.870 0.566 0.000 1.079 80 L CA 1.276 56.479 54.840 0.604 0.000 0.752 80 L CB -0.354 41.736 42.059 0.050 0.000 0.906 80 L HN 0.244 nan 8.230 nan 0.000 0.436 81 K N 0.106 120.666 120.400 0.268 0.000 2.519 81 K HA -0.106 4.214 4.320 -0.000 0.000 0.196 81 K C 1.777 178.445 176.600 0.114 0.000 1.041 81 K CA 0.686 57.079 56.287 0.176 0.000 0.954 81 K CB -0.030 32.511 32.500 0.068 0.000 0.774 81 K HN 0.270 nan 8.250 nan 0.000 0.480 82 R N -0.120 120.418 120.500 0.064 0.000 2.313 82 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 82 R C -0.428 175.486 176.300 -0.644 0.000 0.958 82 R CA 0.356 56.287 56.100 -0.281 0.000 1.047 82 R CB 0.187 30.249 30.300 -0.396 0.000 0.955 82 R HN -0.002 nan 8.270 nan 0.000 0.481 83 F N 1.111 121.046 119.950 -0.024 0.000 2.507 83 F HA 0.139 4.666 4.527 -0.000 0.000 0.328 83 F C 0.145 175.898 175.800 -0.077 0.000 1.136 83 F CA -1.996 55.827 58.000 -0.294 0.000 0.930 83 F CB 1.151 39.643 39.000 -0.848 0.000 1.166 83 F HN -0.029 nan 8.300 nan 0.000 0.436 84 D N 1.177 121.609 120.400 0.054 0.000 2.354 84 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 84 D C 1.512 177.920 176.300 0.179 0.000 1.250 84 D CA -0.128 53.932 54.000 0.101 0.000 0.911 84 D CB 0.445 41.266 40.800 0.035 0.000 1.163 84 D HN 0.607 nan 8.370 nan 0.000 0.456 85 G N -0.357 108.529 108.800 0.144 0.000 2.469 85 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 85 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 85 G C 1.496 176.397 174.900 0.002 0.000 1.150 85 G CA 1.563 46.731 45.100 0.114 0.000 0.763 85 G HN 0.694 nan 8.290 nan 0.000 0.561 86 A N -0.103 122.703 122.820 -0.023 0.000 1.902 86 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 86 A C 2.170 179.682 177.584 -0.120 0.000 1.181 86 A CA 1.696 53.681 52.037 -0.086 0.000 0.623 86 A CB -0.671 18.302 19.000 -0.046 0.000 0.818 86 A HN 0.524 nan 8.150 nan 0.000 0.443 87 Y N -0.958 119.215 120.300 -0.213 0.000 2.097 87 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 87 Y C 2.170 177.775 175.900 -0.492 0.000 1.152 87 Y CA 2.146 60.038 58.100 -0.346 0.000 1.136 87 Y CB -0.492 37.731 38.460 -0.394 0.000 0.975 87 Y HN 0.454 nan 8.280 nan 0.000 0.498 88 W N 0.540 121.690 121.300 -0.250 0.000 2.358 88 W HA -0.141 4.519 4.660 -0.000 0.000 0.303 88 W C 2.632 178.571 176.519 -0.966 0.000 1.208 88 W CA 1.360 58.257 57.345 -0.746 0.000 1.274 88 W CB -0.368 28.822 29.460 -0.451 0.000 1.138 88 W HN -0.117 nan 8.180 nan 0.000 0.515 89 R N 0.209 120.398 120.500 -0.518 0.000 2.096 89 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 89 R C 1.638 177.791 176.300 -0.246 0.000 1.139 89 R CA 1.905 57.592 56.100 -0.689 0.000 0.952 89 R CB -0.765 29.000 30.300 -0.891 0.000 0.854 89 R HN 0.201 nan 8.270 nan 0.000 0.436 90 D N 0.629 120.856 120.400 -0.289 0.000 2.117 90 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 90 D C 1.926 178.067 176.300 -0.266 0.000 0.982 90 D CA 0.726 54.599 54.000 -0.211 0.000 0.828 90 D CB -0.167 40.495 40.800 -0.229 0.000 0.967 90 D HN 0.045 nan 8.370 nan 0.000 0.464 91 L N 0.398 121.315 121.223 -0.509 0.000 2.017 91 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 91 L C 2.056 178.824 176.870 -0.170 0.000 1.073 91 L CA 1.561 56.097 54.840 -0.507 0.000 0.745 91 L CB -0.652 40.893 42.059 -0.857 0.000 0.894 91 L HN -0.138 nan 8.230 nan 0.000 0.432 92 F N 0.164 120.036 119.950 -0.130 0.000 2.186 92 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 92 F C 2.366 178.181 175.800 0.024 0.000 1.090 92 F CA 1.010 58.983 58.000 -0.046 0.000 1.307 92 F CB -1.290 37.734 39.000 0.041 0.000 1.019 92 F HN 0.212 nan 8.300 nan 0.000 0.489 93 D N -0.340 120.224 120.400 0.272 0.000 2.178 93 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 93 D C 2.349 178.698 176.300 0.081 0.000 0.974 93 D CA 1.525 55.635 54.000 0.184 0.000 0.841 93 D CB -0.481 40.450 40.800 0.218 0.000 0.953 93 D HN 0.301 nan 8.370 nan 0.000 0.478 94 S N 0.088 115.807 115.700 0.032 0.000 2.453 94 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 94 S C 1.801 176.412 174.600 0.018 0.000 1.005 94 S CA 0.301 58.501 58.200 -0.001 0.000 0.949 94 S CB -0.045 63.120 63.200 -0.059 0.000 0.774 94 S HN 0.176 nan 8.310 nan 0.000 0.510 95 R N 0.440 120.960 120.500 0.033 0.000 2.223 95 R HA 0.309 4.649 4.340 -0.000 0.000 0.198 95 R C 0.392 176.747 176.300 0.093 0.000 0.984 95 R CA 0.115 56.255 56.100 0.066 0.000 1.018 95 R CB -0.239 30.094 30.300 0.055 0.000 0.945 95 R HN 0.305 nan 8.270 nan 0.000 0.479 96 V N 2.037 121.989 119.914 0.063 0.000 2.506 96 V HA -0.001 4.119 4.120 -0.000 0.000 0.296 96 V C 1.129 177.259 176.094 0.060 0.000 1.004 96 V CA 1.627 63.947 62.300 0.034 0.000 1.150 96 V CB 0.112 31.935 31.823 -0.000 0.000 0.911 96 V HN 0.773 nan 8.190 nan 0.000 0.476 97 G N 4.954 113.796 108.800 0.070 0.000 2.228 97 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.270 97 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.270 97 G C 0.519 175.570 174.900 0.252 0.000 0.976 97 G CA 0.653 45.844 45.100 0.152 0.000 0.636 97 G HN 0.672 nan 8.290 nan 0.000 0.542 98 K N 0.656 121.173 120.400 0.195 0.000 2.188 98 K HA 0.362 4.682 4.320 -0.000 0.000 0.246 98 K C 1.884 178.610 176.600 0.211 0.000 1.026 98 K CA 0.530 56.922 56.287 0.176 0.000 0.871 98 K CB 0.492 33.076 32.500 0.140 0.000 1.042 98 K HN 0.495 nan 8.250 nan 0.000 0.509 99 S N -1.335 114.455 115.700 0.151 0.000 2.524 99 S HA -0.005 4.465 4.470 -0.000 0.000 0.216 99 S C 0.361 175.054 174.600 0.155 0.000 0.987 99 S CA -0.188 58.084 58.200 0.119 0.000 0.909 99 S CB -0.111 63.127 63.200 0.063 0.000 0.781 99 S HN 0.476 nan 8.310 nan 0.000 0.521 100 T N 4.038 118.703 114.554 0.185 0.000 2.817 100 T HA 0.052 4.401 4.350 -0.000 0.000 0.295 100 T C -0.236 174.609 174.700 0.242 0.000 0.958 100 T CA -0.394 61.836 62.100 0.217 0.000 1.157 100 T CB -0.050 68.962 68.868 0.240 0.000 0.898 100 T HN 0.516 nan 8.240 nan 0.000 0.536 101 W N 6.760 128.063 121.300 0.005 0.000 2.238 101 W HA 0.226 4.886 4.660 -0.000 0.000 0.321 101 W C -2.071 174.285 176.519 -0.272 0.000 1.293 101 W CA -2.439 54.853 57.345 -0.088 0.000 1.204 101 W CB 1.106 30.512 29.460 -0.091 0.000 1.167 101 W HN 0.499 nan 8.180 nan 0.000 0.553 102 P HA 0.046 nan 4.420 nan 0.000 0.263 102 P C 0.202 177.195 177.300 -0.512 0.000 1.448 102 P CA 0.260 62.599 63.100 -1.268 0.000 0.983 102 P CB -0.102 30.573 31.700 -1.708 0.000 1.481 103 Y N 0.148 120.408 120.300 -0.065 0.000 2.616 103 Y HA 0.135 4.685 4.550 -0.000 0.000 0.296 103 Y C 2.550 178.498 175.900 0.080 0.000 1.154 103 Y CA 0.812 58.929 58.100 0.027 0.000 1.325 103 Y CB -1.256 37.232 38.460 0.046 0.000 1.007 103 Y HN 0.039 nan 8.280 nan 0.000 0.542 104 G N -0.725 108.232 108.800 0.262 0.000 2.422 104 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 104 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 104 G C 1.044 176.070 174.900 0.209 0.000 1.140 104 G CA 0.629 45.953 45.100 0.373 0.000 0.775 104 G HN 0.346 nan 8.290 nan 0.000 0.545 105 S N -0.082 115.721 115.700 0.173 0.000 2.572 105 S HA 0.406 4.876 4.470 -0.000 0.000 0.279 105 S C 1.833 176.384 174.600 -0.082 0.000 1.341 105 S CA 0.295 58.520 58.200 0.042 0.000 1.043 105 S CB 1.287 64.618 63.200 0.219 0.000 0.887 105 S HN 0.259 nan 8.310 nan 0.000 0.516 106 G N 2.802 111.498 108.800 -0.173 0.000 2.448 106 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.219 106 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.219 106 G C 1.117 175.851 174.900 -0.276 0.000 1.127 106 G CA 0.997 45.969 45.100 -0.214 0.000 0.766 106 G HN 0.610 nan 8.290 nan 0.000 0.552 107 V N -0.884 118.840 119.914 -0.317 0.000 2.341 107 V HA 0.004 4.124 4.120 -0.000 0.000 0.240 107 V C 2.191 177.967 176.094 -0.530 0.000 1.035 107 V CA 1.137 63.117 62.300 -0.532 0.000 1.033 107 V CB -0.685 30.666 31.823 -0.787 0.000 0.678 107 V HN 0.558 nan 8.190 nan 0.000 0.464 108 W N 1.062 122.266 121.300 -0.159 0.000 3.077 108 W HA -0.013 4.647 4.660 -0.000 0.000 0.245 108 W C 2.556 179.050 176.519 -0.042 0.000 1.316 108 W CA 0.718 57.974 57.345 -0.149 0.000 1.537 108 W CB -0.519 28.788 29.460 -0.255 0.000 1.131 108 W HN 0.328 nan 8.180 nan 0.000 0.695 109 S N 0.408 116.145 115.700 0.061 0.000 2.447 109 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 109 S C 1.122 175.598 174.600 -0.207 0.000 1.006 109 S CA 0.745 58.969 58.200 0.040 0.000 0.957 109 S CB -0.232 62.922 63.200 -0.077 0.000 0.773 109 S HN 0.188 nan 8.310 nan 0.000 0.507 110 K N 1.201 121.332 120.400 -0.449 0.000 2.832 110 K HA 0.349 4.669 4.320 -0.000 0.000 0.211 110 K C 1.124 177.568 176.600 -0.259 0.000 1.112 110 K CA -0.235 55.584 56.287 -0.780 0.000 1.108 110 K CB 0.492 32.253 32.500 -1.232 0.000 0.899 110 K HN 0.235 nan 8.250 nan 0.000 0.464 111 K N 1.542 121.983 120.400 0.068 0.000 2.089 111 K HA -0.278 4.042 4.320 -0.000 0.000 0.210 111 K C 0.717 177.448 176.600 0.219 0.000 1.048 111 K CA 1.880 58.322 56.287 0.258 0.000 0.926 111 K CB 0.217 32.984 32.500 0.445 0.000 0.714 111 K HN 0.150 nan 8.250 nan 0.000 0.448 112 E N -0.857 119.467 120.200 0.207 0.000 2.267 112 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 112 E C 1.012 177.699 176.600 0.145 0.000 0.998 112 E CA 1.193 57.689 56.400 0.159 0.000 0.830 112 E CB -0.101 29.633 29.700 0.057 0.000 0.751 112 E HN 0.481 nan 8.360 nan 0.000 0.491 113 W N -1.222 119.897 121.300 -0.301 0.000 3.220 113 W HA 0.303 4.963 4.660 -0.000 0.000 0.328 113 W C 1.062 177.260 176.519 -0.536 0.000 1.205 113 W CA -0.343 56.658 57.345 -0.572 0.000 1.773 113 W CB -0.013 29.123 29.460 -0.540 0.000 1.086 113 W HN -0.110 nan 8.180 nan 0.000 0.622 114 V N -0.654 119.276 119.914 0.028 0.000 3.240 114 V HA 0.258 4.378 4.120 -0.000 0.000 0.218 114 V C 0.446 176.671 176.094 0.219 0.000 1.190 114 V CA 0.440 62.762 62.300 0.036 0.000 1.280 114 V CB 0.037 31.715 31.823 -0.240 0.000 1.244 114 V HN -0.317 nan 8.190 nan 0.000 0.512 115 L N 2.590 123.962 121.223 0.248 0.000 2.470 115 L HA 0.343 4.683 4.340 -0.000 0.000 0.253 115 L C -1.868 175.179 176.870 0.294 0.000 1.163 115 L CA -1.097 53.913 54.840 0.284 0.000 0.932 115 L CB 2.072 44.341 42.059 0.350 0.000 1.213 115 L HN 0.241 nan 8.230 nan 0.000 0.485 116 P HA -0.122 nan 4.420 nan 0.000 0.223 116 P C 0.765 178.218 177.300 0.255 0.000 1.151 116 P CA 1.153 64.439 63.100 0.311 0.000 0.787 116 P CB 0.569 32.500 31.700 0.384 0.000 0.788 117 E N -0.989 119.322 120.200 0.186 0.000 2.452 117 E HA 0.141 4.491 4.350 -0.000 0.000 0.197 117 E C 0.924 177.580 176.600 0.094 0.000 1.022 117 E CA -0.471 56.009 56.400 0.132 0.000 0.890 117 E CB 0.145 29.903 29.700 0.097 0.000 0.918 117 E HN 0.234 nan 8.360 nan 0.000 0.496 118 I N 1.891 122.516 120.570 0.093 0.000 2.588 118 I HA -0.044 4.126 4.170 -0.000 0.000 0.283 118 I C 0.050 176.169 176.117 0.004 0.000 1.119 118 I CA -0.043 61.279 61.300 0.036 0.000 1.419 118 I CB 0.680 38.691 38.000 0.018 0.000 1.394 118 I HN -0.096 nan 8.210 nan 0.000 0.562 119 D N 4.785 125.179 120.400 -0.011 0.000 2.382 119 D HA -0.004 4.636 4.640 -0.000 0.000 0.245 119 D C 0.768 177.032 176.300 -0.060 0.000 1.120 119 D CA -0.078 53.916 54.000 -0.011 0.000 0.890 119 D CB 0.935 41.739 40.800 0.006 0.000 1.201 119 D HN 0.449 nan 8.370 nan 0.000 0.433 120 D N 1.961 122.331 120.400 -0.051 0.000 2.228 120 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 120 D C 0.694 177.075 176.300 0.135 0.000 0.988 120 D CA 0.975 54.931 54.000 -0.074 0.000 0.864 120 D CB 0.079 40.864 40.800 -0.026 0.000 0.928 120 D HN 0.482 nan 8.370 nan 0.000 0.469 121 D N 0.097 120.554 120.400 0.096 0.000 2.349 121 D HA -0.041 4.599 4.640 -0.000 0.000 0.224 121 D C 0.759 177.087 176.300 0.047 0.000 1.029 121 D CA 0.385 54.439 54.000 0.089 0.000 0.879 121 D CB 0.176 40.995 40.800 0.031 0.000 0.906 121 D HN 0.185 nan 8.370 nan 0.000 0.528 122 D N -0.234 120.170 120.400 0.007 0.000 2.379 122 D HA 0.118 4.758 4.640 -0.000 0.000 0.208 122 D C 0.822 177.092 176.300 -0.051 0.000 1.065 122 D CA -0.140 53.848 54.000 -0.019 0.000 0.848 122 D CB 1.237 42.017 40.800 -0.032 0.000 0.949 122 D HN 0.229 nan 8.370 nan 0.000 0.509 123 I N 1.435 121.942 120.570 -0.104 0.000 2.496 123 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 123 I C 0.090 176.223 176.117 0.026 0.000 1.080 123 I CA -0.166 60.961 61.300 -0.288 0.000 1.404 123 I CB 1.396 38.878 38.000 -0.862 0.000 1.403 123 I HN -0.348 nan 8.210 nan 0.000 0.539 124 V N 5.840 125.782 119.914 0.047 0.000 2.259 124 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 124 V C 0.116 176.415 176.094 0.342 0.000 1.051 124 V CA -0.206 62.224 62.300 0.217 0.000 0.830 124 V CB 0.636 32.594 31.823 0.226 0.000 1.080 124 V HN 0.751 nan 8.190 nan 0.000 0.467 125 S N 3.391 119.307 115.700 0.360 0.000 2.482 125 S HA 0.775 5.245 4.470 -0.000 0.000 0.303 125 S C 0.313 175.124 174.600 0.353 0.000 1.091 125 S CA 0.077 58.509 58.200 0.387 0.000 1.057 125 S CB 1.713 64.979 63.200 0.109 0.000 1.031 125 S HN 0.880 nan 8.310 nan 0.000 0.485 126 A N 3.836 126.836 122.820 0.302 0.000 2.855 126 A HA 0.485 4.805 4.320 -0.000 0.000 0.301 126 A C 0.347 178.165 177.584 0.390 0.000 1.076 126 A CA -0.636 51.519 52.037 0.197 0.000 1.004 126 A CB -1.142 17.731 19.000 -0.211 0.000 1.152 126 A HN 1.416 nan 8.150 nan 0.000 0.531 127 F N 0.390 120.468 119.950 0.214 0.000 3.100 127 F HA -0.279 4.248 4.527 -0.000 0.000 0.284 127 F C 1.236 177.135 175.800 0.164 0.000 0.875 127 F CA 0.474 58.583 58.000 0.180 0.000 1.039 127 F CB -0.515 38.579 39.000 0.157 0.000 1.111 127 F HN 0.704 nan 8.300 nan 0.000 0.575 128 E N 1.595 121.914 120.200 0.199 0.000 2.428 128 E HA 0.429 4.779 4.350 -0.000 0.000 0.257 128 E C 1.110 177.680 176.600 -0.050 0.000 1.197 128 E CA 0.536 57.002 56.400 0.110 0.000 0.974 128 E CB 0.318 30.133 29.700 0.190 0.000 0.976 128 E HN 0.748 nan 8.360 nan 0.000 0.463 129 G N 1.690 110.465 108.800 -0.042 0.000 2.598 129 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.244 129 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.244 129 G C 0.077 174.891 174.900 -0.142 0.000 1.302 129 G CA 0.084 45.124 45.100 -0.099 0.000 0.903 129 G HN 0.854 nan 8.290 nan 0.000 0.575 130 N N -1.482 117.118 118.700 -0.166 0.000 2.708 130 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 130 N C 0.805 176.269 175.510 -0.076 0.000 1.123 130 N CA 1.960 54.911 53.050 -0.165 0.000 0.739 130 N CB -1.788 36.530 38.487 -0.281 0.000 1.113 130 N HN 1.983 nan 8.380 nan 0.000 0.561 131 S N 0.027 115.711 115.700 -0.025 0.000 2.572 131 S HA 0.084 4.554 4.470 -0.000 0.000 0.279 131 S C 0.413 175.056 174.600 0.070 0.000 1.341 131 S CA -0.754 57.478 58.200 0.055 0.000 1.043 131 S CB 1.570 64.830 63.200 0.100 0.000 0.887 131 S HN 0.338 nan 8.310 nan 0.000 0.516 132 N N 0.832 119.618 118.700 0.142 0.000 2.411 132 N HA -0.027 4.713 4.740 -0.000 0.000 0.261 132 N C -0.841 174.771 175.510 0.170 0.000 1.248 132 N CA -0.482 52.676 53.050 0.181 0.000 0.885 132 N CB 0.103 38.774 38.487 0.306 0.000 1.062 132 N HN 0.547 nan 8.380 nan 0.000 0.471 133 L N 6.559 127.855 121.223 0.122 0.000 2.358 133 L HA 0.281 4.621 4.340 -0.000 0.000 0.274 133 L C -0.816 176.311 176.870 0.427 0.000 1.136 133 L CA -0.313 54.624 54.840 0.163 0.000 0.970 133 L CB -0.709 41.284 42.059 -0.111 0.000 1.314 133 L HN 0.419 nan 8.230 nan 0.000 0.427 134 F N 3.658 123.727 119.950 0.198 0.000 2.541 134 F HA 0.109 4.636 4.527 -0.000 0.000 0.378 134 F C -0.168 175.762 175.800 0.216 0.000 1.068 134 F CA -0.230 57.885 58.000 0.192 0.000 1.199 134 F CB 0.327 39.340 39.000 0.023 0.000 1.091 134 F HN 0.539 nan 8.300 nan 0.000 0.555 135 W N 8.128 129.088 121.300 -0.567 0.000 2.585 135 W HA 0.452 5.112 4.660 -0.000 0.000 0.337 135 W C -0.490 175.669 176.519 -0.599 0.000 1.226 135 W CA -1.769 54.954 57.345 -1.037 0.000 1.463 135 W CB -0.028 28.640 29.460 -1.319 0.000 1.458 135 W HN 0.654 nan 8.180 nan 0.000 0.458 136 A N 5.608 128.327 122.820 -0.169 0.000 2.899 136 A HA 0.037 4.357 4.320 -0.000 0.000 0.287 136 A C 1.437 178.746 177.584 -0.458 0.000 1.715 136 A CA 0.234 52.272 52.037 0.001 0.000 1.393 136 A CB -0.519 18.645 19.000 0.274 0.000 1.070 136 A HN 0.844 nan 8.150 nan 0.000 0.587 137 E N 1.933 121.590 120.200 -0.904 0.000 2.021 137 E HA -0.164 4.186 4.350 -0.000 0.000 0.189 137 E C 2.040 178.374 176.600 -0.444 0.000 0.980 137 E CA 0.959 56.692 56.400 -1.112 0.000 0.803 137 E CB -0.023 28.722 29.700 -1.592 0.000 0.766 137 E HN 0.751 nan 8.360 nan 0.000 0.449 138 R N -0.461 119.895 120.500 -0.239 0.000 2.066 138 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 138 R C 2.328 178.682 176.300 0.090 0.000 1.131 138 R CA 1.585 57.646 56.100 -0.065 0.000 0.955 138 R CB -0.466 29.841 30.300 0.011 0.000 0.851 138 R HN 0.229 nan 8.270 nan 0.000 0.432 139 F N 0.536 120.529 119.950 0.071 0.000 2.134 139 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 139 F C 1.907 177.818 175.800 0.185 0.000 1.097 139 F CA 1.954 60.089 58.000 0.225 0.000 1.264 139 F CB -0.785 38.252 39.000 0.061 0.000 1.001 139 F HN 0.106 nan 8.300 nan 0.000 0.479 140 G N 0.037 108.823 108.800 -0.023 0.000 2.414 140 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 140 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 140 G C 1.729 176.546 174.900 -0.137 0.000 1.188 140 G CA 0.757 45.788 45.100 -0.116 0.000 0.783 140 G HN 0.346 nan 8.290 nan 0.000 0.537 141 K N -0.330 119.993 120.400 -0.130 0.000 2.217 141 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 141 K C 2.486 178.989 176.600 -0.163 0.000 1.051 141 K CA 0.970 57.184 56.287 -0.121 0.000 0.952 141 K CB -0.005 32.424 32.500 -0.118 0.000 0.736 141 K HN 0.370 nan 8.250 nan 0.000 0.453 142 Q N -0.691 118.977 119.800 -0.221 0.000 2.259 142 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 142 Q C 1.157 176.834 176.000 -0.539 0.000 0.938 142 Q CA 0.922 56.486 55.803 -0.398 0.000 0.872 142 Q CB 0.331 28.754 28.738 -0.525 0.000 0.971 142 Q HN 0.210 nan 8.270 nan 0.000 0.494 143 F N -1.032 118.741 119.950 -0.295 0.000 2.678 143 F HA 0.204 4.731 4.527 -0.000 0.000 0.291 143 F C 1.311 176.963 175.800 -0.247 0.000 1.123 143 F CA 0.285 58.101 58.000 -0.307 0.000 1.395 143 F CB 0.735 39.427 39.000 -0.514 0.000 1.121 143 F HN -0.029 nan 8.300 nan 0.000 0.592 144 L N -1.254 119.888 121.223 -0.135 0.000 3.217 144 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 144 L C 1.218 178.035 176.870 -0.089 0.000 1.202 144 L CA 0.210 54.985 54.840 -0.108 0.000 1.027 144 L CB 0.591 42.560 42.059 -0.149 0.000 1.427 144 L HN 0.136 nan 8.230 nan 0.000 0.600 145 G N 1.587 110.331 108.800 -0.092 0.000 2.273 145 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.280 145 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.280 145 G C -0.007 174.874 174.900 -0.031 0.000 1.047 145 G CA 0.411 45.473 45.100 -0.064 0.000 0.869 145 G HN 0.280 nan 8.290 nan 0.000 0.502 146 M N 0.440 120.025 119.600 -0.025 0.000 2.253 146 M HA 0.297 4.777 4.480 -0.000 0.000 0.314 146 M C 1.177 177.519 176.300 0.071 0.000 1.019 146 M CA -0.811 54.508 55.300 0.032 0.000 0.932 146 M CB 1.461 34.088 32.600 0.044 0.000 1.606 146 M HN 0.250 nan 8.290 nan 0.000 0.430 147 N N 0.241 119.021 118.700 0.133 0.000 2.392 147 N HA -0.038 4.702 4.740 -0.000 0.000 0.177 147 N C -0.145 175.607 175.510 0.403 0.000 1.066 147 N CA 0.505 53.694 53.050 0.232 0.000 0.895 147 N CB 0.388 38.993 38.487 0.197 0.000 0.988 147 N HN 0.564 nan 8.380 nan 0.000 0.457 148 D N 0.659 121.252 120.400 0.321 0.000 2.980 148 D HA 0.206 4.846 4.640 -0.000 0.000 0.333 148 D C -1.231 175.327 176.300 0.429 0.000 1.356 148 D CA -0.484 53.756 54.000 0.400 0.000 0.847 148 D CB -0.120 40.885 40.800 0.342 0.000 1.122 148 D HN 0.121 nan 8.370 nan 0.000 0.475 149 L N 1.061 122.453 121.223 0.283 0.000 2.272 149 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 149 L C -1.517 175.439 176.870 0.142 0.000 1.032 149 L CA -0.398 54.605 54.840 0.272 0.000 0.810 149 L CB 0.544 42.727 42.059 0.207 0.000 1.205 149 L HN -0.068 nan 8.230 nan 0.000 0.422 150 W N 4.483 125.992 121.300 0.349 0.000 2.666 150 W HA 0.706 5.365 4.660 -0.000 0.000 0.334 150 W C -0.919 175.716 176.519 0.194 0.000 1.051 150 W CA -0.762 56.771 57.345 0.313 0.000 1.224 150 W CB 1.899 31.542 29.460 0.307 0.000 1.405 150 W HN 0.217 nan 8.180 nan 0.000 0.513 151 V N 2.934 123.042 119.914 0.325 0.000 2.459 151 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 151 V C -0.291 175.768 176.094 -0.059 0.000 1.029 151 V CA -1.363 60.973 62.300 0.059 0.000 0.874 151 V CB 1.481 33.224 31.823 -0.132 0.000 0.985 151 V HN 0.317 nan 8.190 nan 0.000 0.438 152 K N 2.822 123.202 120.400 -0.033 0.000 2.267 152 K HA 0.319 4.639 4.320 -0.000 0.000 0.282 152 K C -0.156 176.440 176.600 -0.007 0.000 1.078 152 K CA 0.074 56.363 56.287 0.003 0.000 0.903 152 K CB -0.042 32.508 32.500 0.083 0.000 1.111 152 K HN 0.740 nan 8.250 nan 0.000 0.475 153 H N 4.042 123.180 119.070 0.113 0.000 2.855 153 H HA 0.116 4.672 4.556 -0.000 0.000 0.238 153 H C 0.378 175.769 175.328 0.104 0.000 1.847 153 H CA -0.711 55.382 56.048 0.074 0.000 1.368 153 H CB -0.011 29.786 29.762 0.057 0.000 1.758 153 H HN 0.718 nan 8.280 nan 0.000 0.546 154 C N 0.518 119.956 119.300 0.229 0.000 2.449 154 C HA -0.058 4.402 4.460 -0.000 0.000 0.283 154 C C 2.735 177.882 174.990 0.262 0.000 1.453 154 C CA 0.880 60.040 59.018 0.236 0.000 1.779 154 C CB -0.983 26.917 27.740 0.267 0.000 1.779 154 C HN 0.959 nan 8.230 nan 0.000 0.546 155 G N 0.666 109.617 108.800 0.252 0.000 2.484 155 G HA2 0.017 3.977 3.960 -0.000 0.000 0.218 155 G HA3 0.017 3.977 3.960 -0.000 0.000 0.218 155 G C 0.668 175.753 174.900 0.309 0.000 1.130 155 G CA 0.124 45.386 45.100 0.271 0.000 0.784 155 G HN 0.614 nan 8.290 nan 0.000 0.543 156 I N 2.702 123.433 120.570 0.269 0.000 2.278 156 I HA 0.259 4.429 4.170 -0.000 0.000 0.300 156 I C 0.201 176.437 176.117 0.198 0.000 1.174 156 I CA -0.226 61.231 61.300 0.262 0.000 1.347 156 I CB -0.111 38.016 38.000 0.213 0.000 1.473 156 I HN 0.150 nan 8.210 nan 0.000 0.595 157 S N 1.293 117.107 115.700 0.189 0.000 2.672 157 S HA 0.277 4.747 4.470 -0.000 0.000 0.271 157 S C 0.657 175.366 174.600 0.181 0.000 1.171 157 S CA -0.810 57.502 58.200 0.187 0.000 0.817 157 S CB 1.458 64.782 63.200 0.206 0.000 1.150 157 S HN 0.558 nan 8.310 nan 0.000 0.478 158 H N 1.229 120.370 119.070 0.120 0.000 2.267 158 H HA -0.138 4.418 4.556 -0.000 0.000 0.291 158 H C 1.916 177.282 175.328 0.063 0.000 1.094 158 H CA 3.401 59.494 56.048 0.076 0.000 1.227 158 H CB -0.157 29.629 29.762 0.041 0.000 1.351 158 H HN 0.818 nan 8.280 nan 0.000 0.483 159 T N -3.950 110.773 114.554 0.283 0.000 3.069 159 T HA 0.324 4.674 4.350 -0.000 0.000 0.252 159 T C 1.429 176.205 174.700 0.127 0.000 1.053 159 T CA 0.418 62.633 62.100 0.193 0.000 0.964 159 T CB 0.566 69.568 68.868 0.222 0.000 1.005 159 T HN 0.655 nan 8.240 nan 0.000 0.532 160 G N 0.971 109.857 108.800 0.144 0.000 2.176 160 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.232 160 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.232 160 G C 0.147 175.175 174.900 0.214 0.000 0.986 160 G CA 0.254 45.448 45.100 0.158 0.000 0.643 160 G HN 1.523 nan 8.290 nan 0.000 0.522 161 S N -0.723 115.094 115.700 0.195 0.000 2.671 161 S HA 0.830 5.300 4.470 -0.000 0.000 0.277 161 S C 0.086 174.808 174.600 0.204 0.000 1.165 161 S CA -0.334 58.002 58.200 0.226 0.000 0.822 161 S CB 1.621 64.923 63.200 0.170 0.000 1.150 161 S HN 1.630 nan 8.310 nan 0.000 0.479 165 L N 1.126 122.292 121.223 -0.094 0.000 2.046 165 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 165 L C 2.445 179.184 176.870 -0.218 0.000 1.077 165 L CA 2.103 56.859 54.840 -0.140 0.000 0.747 165 L CB -0.498 41.515 42.059 -0.077 0.000 0.896 165 L HN 0.116 nan 8.230 nan 0.000 0.432 166 G N -0.749 107.932 108.800 -0.199 0.000 2.408 166 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 166 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 166 G C 1.583 176.359 174.900 -0.207 0.000 1.156 166 G CA 0.131 45.124 45.100 -0.178 0.000 0.793 166 G HN 0.059 nan 8.290 nan 0.000 0.535 167 M N 0.909 120.327 119.600 -0.302 0.000 2.394 167 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 167 M C 2.540 178.514 176.300 -0.543 0.000 1.073 167 M CA 1.024 56.095 55.300 -0.382 0.000 1.111 167 M CB -1.137 31.211 32.600 -0.420 0.000 1.401 167 M HN 0.274 nan 8.290 nan 0.000 0.448 168 T N 0.308 114.496 114.554 -0.610 0.000 2.915 168 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 168 T C 1.781 176.574 174.700 0.155 0.000 1.071 168 T CA 0.955 62.904 62.100 -0.251 0.000 1.132 168 T CB 0.099 69.024 68.868 0.094 0.000 0.878 168 T HN 0.148 nan 8.240 nan 0.000 0.479 169 V N 1.025 120.940 119.914 0.002 0.000 2.346 169 V HA 0.068 4.188 4.120 -0.000 0.000 0.244 169 V C 2.489 178.632 176.094 0.082 0.000 1.037 169 V CA 1.302 63.655 62.300 0.088 0.000 1.029 169 V CB -0.640 31.109 31.823 -0.124 0.000 0.663 169 V HN 0.431 nan 8.190 nan 0.000 0.454 170 L N -0.039 121.181 121.223 -0.005 0.000 1.970 170 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 170 L C 2.459 179.295 176.870 -0.057 0.000 1.071 170 L CA 1.786 56.612 54.840 -0.022 0.000 0.751 170 L CB -0.221 41.841 42.059 0.005 0.000 0.889 170 L HN 0.147 nan 8.230 nan 0.000 0.432 171 V N -0.780 119.115 119.914 -0.031 0.000 2.332 171 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 171 V C 2.612 178.721 176.094 0.025 0.000 1.055 171 V CA 1.960 64.262 62.300 0.003 0.000 1.038 171 V CB -0.484 31.379 31.823 0.066 0.000 0.651 171 V HN 0.460 nan 8.190 nan 0.000 0.450 172 S N -0.618 115.128 115.700 0.077 0.000 2.365 172 S HA -0.338 4.132 4.470 -0.000 0.000 0.225 172 S C 2.027 176.637 174.600 0.017 0.000 1.039 172 S CA 2.129 60.364 58.200 0.059 0.000 1.033 172 S CB -0.356 62.912 63.200 0.114 0.000 0.887 172 S HN 0.642 nan 8.310 nan 0.000 0.447 173 Q N 1.098 120.910 119.800 0.020 0.000 2.050 173 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 173 Q C 2.007 177.956 176.000 -0.085 0.000 0.980 173 Q CA 1.632 57.420 55.803 -0.024 0.000 0.840 173 Q CB -0.603 28.117 28.738 -0.029 0.000 0.898 173 Q HN 0.341 nan 8.270 nan 0.000 0.424 174 V N 1.315 121.136 119.914 -0.154 0.000 2.332 174 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 174 V C 2.180 178.236 176.094 -0.063 0.000 1.055 174 V CA 1.967 64.167 62.300 -0.167 0.000 1.038 174 V CB -0.908 30.792 31.823 -0.206 0.000 0.651 174 V HN 0.486 nan 8.190 nan 0.000 0.450 175 N N 0.452 119.132 118.700 -0.033 0.000 2.069 175 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 175 N C 2.033 177.536 175.510 -0.011 0.000 1.031 175 N CA 1.884 54.929 53.050 -0.009 0.000 0.852 175 N CB -0.361 38.130 38.487 0.006 0.000 1.018 175 N HN 0.415 nan 8.380 nan 0.000 0.423 176 R N 0.381 120.871 120.500 -0.015 0.000 2.096 176 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 176 R C 2.104 178.402 176.300 -0.004 0.000 1.139 176 R CA 1.439 57.534 56.100 -0.009 0.000 0.952 176 R CB -0.522 29.774 30.300 -0.007 0.000 0.854 176 R HN 0.302 nan 8.270 nan 0.000 0.436 177 L N 0.154 121.371 121.223 -0.010 0.000 2.017 177 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 177 L C 2.872 179.746 176.870 0.006 0.000 1.073 177 L CA 1.603 56.443 54.840 0.000 0.000 0.745 177 L CB -0.441 41.615 42.059 -0.005 0.000 0.894 177 L HN 0.250 nan 8.230 nan 0.000 0.432 178 R N 0.163 120.664 120.500 0.002 0.000 2.096 178 R HA -0.144 4.195 4.340 -0.000 0.000 0.235 178 R C 2.261 178.565 176.300 0.006 0.000 1.127 178 R CA 1.186 57.291 56.100 0.008 0.000 0.968 178 R CB -0.154 30.150 30.300 0.007 0.000 0.861 178 R HN 0.328 nan 8.270 nan 0.000 0.440 179 K N 0.653 121.055 120.400 0.003 0.000 2.288 179 K HA -0.042 4.278 4.320 -0.000 0.000 0.201 179 K C 1.655 178.258 176.600 0.005 0.000 1.048 179 K CA 1.013 57.301 56.287 0.002 0.000 0.956 179 K CB 0.107 32.607 32.500 -0.000 0.000 0.746 179 K HN 0.277 nan 8.250 nan 0.000 0.461 180 M N -0.786 118.818 119.600 0.008 0.000 2.626 180 M HA 0.287 4.767 4.480 -0.000 0.000 0.262 180 M C -0.590 175.717 176.300 0.013 0.000 1.256 180 M CA 0.172 55.479 55.300 0.011 0.000 0.981 180 M CB 0.412 33.020 32.600 0.013 0.000 1.492 180 M HN -0.210 nan 8.290 nan 0.000 0.474 181 K N -0.150 120.257 120.400 0.012 0.000 3.446 181 K HA -0.066 4.254 4.320 -0.000 0.000 0.312 181 K C -0.533 176.078 176.600 0.018 0.000 1.329 181 K CA 0.671 56.966 56.287 0.013 0.000 0.935 181 K CB -1.278 31.229 32.500 0.012 0.000 1.281 181 K HN 0.508 nan 8.250 nan 0.000 0.457 182 R N 0.911 121.424 120.500 0.021 0.000 2.643 182 R HA 0.088 4.428 4.340 -0.000 0.000 0.270 182 R C -2.136 174.183 176.300 0.032 0.000 1.061 182 R CA -1.319 54.798 56.100 0.028 0.000 1.107 182 R CB -0.128 30.191 30.300 0.032 0.000 0.999 182 R HN 0.012 nan 8.270 nan 0.000 0.460 183 P HA 0.101 nan 4.420 nan 0.000 0.260 183 P C -0.853 176.481 177.300 0.056 0.000 1.651 183 P CA -0.015 63.109 63.100 0.040 0.000 1.139 183 P CB 0.324 32.046 31.700 0.037 0.000 1.756 184 V N 4.282 124.229 119.914 0.055 0.000 2.439 184 V HA 0.042 4.162 4.120 -0.000 0.000 0.277 184 V C 1.495 177.626 176.094 0.063 0.000 1.008 184 V CA -0.531 61.815 62.300 0.077 0.000 0.846 184 V CB 1.611 33.481 31.823 0.078 0.000 1.031 184 V HN 0.277 nan 8.190 nan 0.000 0.441 185 V N 1.349 121.303 119.914 0.066 0.000 2.871 185 V HA 0.632 4.752 4.120 -0.000 0.000 0.256 185 V C 0.877 177.001 176.094 0.050 0.000 1.082 185 V CA 1.500 63.827 62.300 0.046 0.000 1.105 185 V CB -0.316 31.529 31.823 0.037 0.000 0.713 185 V HN 1.012 nan 8.190 nan 0.000 0.473 186 G N -1.128 107.721 108.800 0.082 0.000 2.342 186 G HA2 0.504 4.464 3.960 -0.000 0.000 0.297 186 G HA3 0.504 4.464 3.960 -0.000 0.000 0.297 186 G C -1.746 173.241 174.900 0.145 0.000 1.313 186 G CA 0.026 45.180 45.100 0.090 0.000 0.830 186 G HN 0.431 nan 8.290 nan 0.000 0.506 187 V N -0.072 119.929 119.914 0.145 0.000 2.540 187 V HA 0.883 5.003 4.120 -0.000 0.000 0.302 187 V C 0.643 176.846 176.094 0.181 0.000 1.035 187 V CA 0.131 62.550 62.300 0.197 0.000 0.873 187 V CB 1.372 33.299 31.823 0.173 0.000 0.992 187 V HN 1.452 nan 8.190 nan 0.000 0.428 188 G N 1.511 110.443 108.800 0.220 0.000 2.533 188 G HA2 0.803 4.763 3.960 -0.000 0.000 0.304 188 G HA3 0.803 4.763 3.960 -0.000 0.000 0.304 188 G C -0.757 174.263 174.900 0.200 0.000 1.263 188 G CA -0.241 45.003 45.100 0.240 0.000 0.964 188 G HN 1.354 nan 8.290 nan 0.000 0.479 189 C N -1.970 117.452 119.300 0.203 0.000 3.295 189 C HA 0.858 5.318 4.460 -0.000 0.000 0.341 189 C C 0.725 175.809 174.990 0.156 0.000 1.418 189 C CA 0.024 59.126 59.018 0.141 0.000 1.240 189 C CB 1.398 29.196 27.740 0.097 0.000 1.562 189 C HN 1.525 nan 8.230 nan 0.000 0.457 190 A N 0.382 123.258 122.820 0.094 0.000 2.538 190 A HA 0.593 4.913 4.320 -0.000 0.000 0.269 190 A C 0.800 178.434 177.584 0.083 0.000 1.231 190 A CA 0.751 52.835 52.037 0.079 0.000 0.948 190 A CB -0.484 18.515 19.000 -0.002 0.000 1.110 190 A HN 1.611 nan 8.150 nan 0.000 0.529 191 S N 0.444 116.192 115.700 0.079 0.000 2.562 191 S HA 0.240 4.710 4.470 -0.000 0.000 0.281 191 S C 1.367 176.009 174.600 0.069 0.000 1.333 191 S CA 0.777 59.025 58.200 0.079 0.000 1.052 191 S CB 0.645 63.883 63.200 0.063 0.000 0.884 191 S HN 0.732 nan 8.310 nan 0.000 0.506 192 T N 1.538 116.136 114.554 0.074 0.000 3.023 192 T HA 0.438 4.788 4.350 -0.000 0.000 0.253 192 T C 0.906 175.632 174.700 0.043 0.000 1.038 192 T CA 0.297 62.431 62.100 0.057 0.000 0.962 192 T CB 0.137 69.044 68.868 0.066 0.000 1.018 192 T HN 0.678 nan 8.240 nan 0.000 0.521 193 G N 0.932 109.763 108.800 0.052 0.000 3.392 193 G HA2 0.367 4.327 3.960 -0.000 0.000 0.185 193 G HA3 0.367 4.327 3.960 -0.000 0.000 0.185 193 G C 0.047 174.969 174.900 0.037 0.000 1.206 193 G CA 0.045 45.171 45.100 0.042 0.000 0.776 193 G HN 0.116 nan 8.290 nan 0.000 0.697 194 D N 0.359 120.787 120.400 0.045 0.000 2.123 194 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 194 D C 2.624 178.921 176.300 -0.005 0.000 0.992 194 D CA 1.859 55.874 54.000 0.024 0.000 0.833 194 D CB -0.468 40.346 40.800 0.024 0.000 0.954 194 D HN 0.269 nan 8.370 nan 0.000 0.455 195 T N 0.249 114.798 114.554 -0.008 0.000 2.701 195 T HA -0.142 4.208 4.350 -0.000 0.000 0.263 195 T C 2.191 176.903 174.700 0.020 0.000 1.040 195 T CA 1.960 64.050 62.100 -0.016 0.000 1.147 195 T CB -0.391 68.475 68.868 -0.003 0.000 0.865 195 T HN 0.251 nan 8.240 nan 0.000 0.426 196 S N 2.213 117.935 115.700 0.037 0.000 2.382 196 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 196 S C 2.425 177.058 174.600 0.055 0.000 1.027 196 S CA 0.964 59.193 58.200 0.048 0.000 0.991 196 S CB -0.707 62.519 63.200 0.043 0.000 0.823 196 S HN 0.505 nan 8.310 nan 0.000 0.469 197 A N 2.341 125.192 122.820 0.052 0.000 1.877 197 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 197 A C 2.579 180.229 177.584 0.109 0.000 1.186 197 A CA 1.945 54.022 52.037 0.067 0.000 0.620 197 A CB -1.549 17.484 19.000 0.054 0.000 0.822 197 A HN 0.874 nan 8.150 nan 0.000 0.443 198 A N -0.643 122.241 122.820 0.108 0.000 1.873 198 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 198 A C 2.157 179.867 177.584 0.210 0.000 1.186 198 A CA 1.694 53.836 52.037 0.175 0.000 0.616 198 A CB -0.708 18.331 19.000 0.065 0.000 0.823 198 A HN 0.668 nan 8.150 nan 0.000 0.442 199 L N 0.116 121.403 121.223 0.108 0.000 1.989 199 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 199 L C 2.555 179.508 176.870 0.138 0.000 1.071 199 L CA 2.730 57.632 54.840 0.103 0.000 0.749 199 L CB -0.689 41.416 42.059 0.077 0.000 0.890 199 L HN 0.298 nan 8.230 nan 0.000 0.431 200 S N -0.340 115.427 115.700 0.113 0.000 2.382 200 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 200 S C 2.058 176.716 174.600 0.098 0.000 1.027 200 S CA 1.025 59.282 58.200 0.094 0.000 0.991 200 S CB -0.606 62.636 63.200 0.070 0.000 0.823 200 S HN 0.677 nan 8.310 nan 0.000 0.469 201 A N 0.616 123.504 122.820 0.113 0.000 1.858 201 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 201 A C 1.902 179.472 177.584 -0.024 0.000 1.190 201 A CA 1.411 53.482 52.037 0.057 0.000 0.617 201 A CB -1.035 18.008 19.000 0.072 0.000 0.827 201 A HN 0.522 nan 8.150 nan 0.000 0.443 202 Y N -0.530 119.744 120.300 -0.045 0.000 2.181 202 Y HA -0.263 4.287 4.550 -0.000 0.000 0.288 202 Y C 2.909 178.806 175.900 -0.006 0.000 1.146 202 Y CA 1.296 59.369 58.100 -0.044 0.000 1.164 202 Y CB -0.823 37.623 38.460 -0.023 0.000 0.982 202 Y HN 0.390 nan 8.280 nan 0.000 0.515 203 C N -0.731 118.668 119.300 0.165 0.000 2.429 203 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 203 C C 3.018 178.045 174.990 0.061 0.000 1.262 203 C CA 1.054 60.133 59.018 0.101 0.000 1.733 203 C CB -1.483 26.311 27.740 0.091 0.000 2.010 203 C HN 0.632 nan 8.230 nan 0.000 0.483 204 A N -0.190 122.660 122.820 0.050 0.000 1.940 204 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 204 A C 2.301 179.892 177.584 0.012 0.000 1.176 204 A CA 2.193 54.248 52.037 0.030 0.000 0.631 204 A CB -0.922 18.096 19.000 0.030 0.000 0.814 204 A HN 0.559 nan 8.150 nan 0.000 0.446 205 S N -0.249 115.449 115.700 -0.004 0.000 2.359 205 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 205 S C 1.694 176.292 174.600 -0.004 0.000 1.035 205 S CA 1.575 59.762 58.200 -0.022 0.000 1.018 205 S CB -0.358 62.799 63.200 -0.072 0.000 0.876 205 S HN 0.936 nan 8.310 nan 0.000 0.448 206 A N -0.618 122.213 122.820 0.018 0.000 2.415 206 A HA 0.571 4.891 4.320 -0.000 0.000 0.248 206 A C 1.378 178.969 177.584 0.012 0.000 1.299 206 A CA 0.543 52.590 52.037 0.017 0.000 0.899 206 A CB -1.019 18.003 19.000 0.036 0.000 0.997 206 A HN 1.358 nan 8.150 nan 0.000 0.506 207 G N -0.083 108.723 108.800 0.010 0.000 2.225 207 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 207 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 207 G C 0.044 174.952 174.900 0.012 0.000 1.024 207 G CA 0.570 45.674 45.100 0.007 0.000 0.784 207 G HN 0.560 nan 8.290 nan 0.000 0.507 208 I N 2.208 122.792 120.570 0.024 0.000 2.325 208 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 208 I C -1.503 174.634 176.117 0.033 0.000 1.019 208 I CA -2.347 58.970 61.300 0.029 0.000 1.302 208 I CB 1.164 39.187 38.000 0.039 0.000 1.401 208 I HN -0.086 nan 8.210 nan 0.000 0.485 209 P HA -0.027 nan 4.420 nan 0.000 0.265 209 P C -0.557 176.771 177.300 0.045 0.000 1.193 209 P CA -0.011 63.101 63.100 0.020 0.000 0.765 209 P CB 0.941 32.634 31.700 -0.011 0.000 0.823 210 S N 2.798 118.531 115.700 0.055 0.000 2.561 210 S HA 0.646 5.116 4.470 -0.000 0.000 0.303 210 S C -0.725 173.911 174.600 0.059 0.000 1.110 210 S CA -0.772 57.468 58.200 0.067 0.000 1.034 210 S CB 0.060 63.301 63.200 0.070 0.000 1.010 210 S HN 0.231 nan 8.310 nan 0.000 0.482 211 I N 4.263 124.851 120.570 0.030 0.000 2.465 211 I HA 0.485 4.655 4.170 -0.000 0.000 0.291 211 I C -0.905 175.105 176.117 -0.178 0.000 1.014 211 I CA -0.971 60.275 61.300 -0.090 0.000 1.093 211 I CB 2.182 40.074 38.000 -0.181 0.000 1.267 211 I HN 0.299 nan 8.210 nan 0.000 0.431 212 V N 6.421 126.186 119.914 -0.249 0.000 2.357 212 V HA 0.381 4.501 4.120 -0.000 0.000 0.284 212 V C -0.578 175.340 176.094 -0.292 0.000 1.018 212 V CA -0.501 61.698 62.300 -0.168 0.000 0.841 212 V CB 1.083 32.865 31.823 -0.069 0.000 0.991 212 V HN 0.374 nan 8.190 nan 0.000 0.437 213 F N 5.926 125.871 119.950 -0.010 0.000 2.391 213 F HA 0.668 5.195 4.527 -0.000 0.000 0.359 213 F C 0.118 175.890 175.800 -0.048 0.000 1.122 213 F CA -0.284 57.696 58.000 -0.032 0.000 1.120 213 F CB 0.861 39.831 39.000 -0.050 0.000 1.142 213 F HN 0.188 nan 8.300 nan 0.000 0.483 214 L N 4.593 125.873 121.223 0.094 0.000 2.434 214 L HA 0.505 4.845 4.340 -0.000 0.000 0.260 214 L C -2.626 174.269 176.870 0.041 0.000 0.983 214 L CA -2.402 52.469 54.840 0.052 0.000 0.820 214 L CB 3.103 45.179 42.059 0.029 0.000 1.361 214 L HN 0.266 nan 8.230 nan 0.000 0.410 215 P HA 0.083 nan 4.420 nan 0.000 0.271 215 P C 0.092 177.411 177.300 0.032 0.000 1.216 215 P CA -0.099 63.028 63.100 0.044 0.000 0.771 215 P CB 1.051 32.795 31.700 0.073 0.000 0.864 216 A N 4.178 127.010 122.820 0.021 0.000 1.978 216 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 216 A C 1.749 179.340 177.584 0.012 0.000 1.170 216 A CA 1.939 53.981 52.037 0.009 0.000 0.636 216 A CB -1.134 17.869 19.000 0.005 0.000 0.810 216 A HN 0.689 nan 8.150 nan 0.000 0.448 217 N N -1.008 117.706 118.700 0.023 0.000 2.416 217 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 217 N C 0.886 176.413 175.510 0.029 0.000 1.036 217 N CA 0.794 53.858 53.050 0.023 0.000 0.901 217 N CB -0.211 38.291 38.487 0.026 0.000 0.976 217 N HN 0.229 nan 8.380 nan 0.000 0.444 218 K N 0.520 120.944 120.400 0.040 0.000 2.458 218 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 218 K C 0.191 176.812 176.600 0.035 0.000 1.024 218 K CA -0.314 56.002 56.287 0.048 0.000 1.108 218 K CB 0.350 32.898 32.500 0.080 0.000 0.846 218 K HN 0.215 nan 8.250 nan 0.000 0.518 219 I N 1.370 121.951 120.570 0.019 0.000 2.556 219 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 219 I C 0.518 176.637 176.117 0.004 0.000 1.114 219 I CA 0.239 61.542 61.300 0.005 0.000 1.418 219 I CB 0.791 38.786 38.000 -0.010 0.000 1.394 219 I HN -0.135 nan 8.210 nan 0.000 0.552 220 S N 6.856 122.556 115.700 0.001 0.000 2.672 220 S HA 0.351 4.821 4.470 -0.000 0.000 0.291 220 S C 0.846 175.440 174.600 -0.010 0.000 1.145 220 S CA -0.683 57.516 58.200 -0.002 0.000 1.013 220 S CB 1.091 64.293 63.200 0.004 0.000 1.017 220 S HN 0.459 nan 8.310 nan 0.000 0.487 221 M N 3.336 122.929 119.600 -0.012 0.000 2.213 221 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 221 M C 2.214 178.504 176.300 -0.017 0.000 1.062 221 M CA 1.783 57.073 55.300 -0.017 0.000 1.105 221 M CB -1.765 30.825 32.600 -0.016 0.000 1.385 221 M HN 0.828 nan 8.290 nan 0.000 0.417 222 A N -0.262 122.549 122.820 -0.015 0.000 1.897 222 A HA -0.155 4.164 4.320 -0.000 0.000 0.215 222 A C 2.099 179.667 177.584 -0.027 0.000 1.181 222 A CA 1.184 53.209 52.037 -0.020 0.000 0.620 222 A CB -0.604 18.386 19.000 -0.017 0.000 0.821 222 A HN 0.553 nan 8.150 nan 0.000 0.443 223 Q N -0.752 119.034 119.800 -0.022 0.000 2.170 223 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 223 Q C 1.217 177.206 176.000 -0.019 0.000 0.976 223 Q CA 1.008 56.797 55.803 -0.024 0.000 0.858 223 Q CB -0.145 28.589 28.738 -0.006 0.000 0.907 223 Q HN 0.616 nan 8.270 nan 0.000 0.433 224 L N 0.102 121.316 121.223 -0.014 0.000 2.700 224 L HA 0.057 4.397 4.340 -0.000 0.000 0.234 224 L C 1.704 178.565 176.870 -0.014 0.000 1.156 224 L CA -0.288 54.544 54.840 -0.012 0.000 0.946 224 L CB 0.396 42.446 42.059 -0.016 0.000 1.216 224 L HN 0.052 nan 8.230 nan 0.000 0.493 225 V N 0.117 120.021 119.914 -0.017 0.000 2.546 225 V HA -0.328 3.792 4.120 -0.000 0.000 0.254 225 V C 2.181 178.270 176.094 -0.008 0.000 1.076 225 V CA 2.055 64.345 62.300 -0.016 0.000 1.087 225 V CB 0.025 31.836 31.823 -0.021 0.000 0.674 225 V HN 0.630 nan 8.190 nan 0.000 0.470 226 Q N -0.473 119.326 119.800 -0.002 0.000 2.061 226 Q HA -0.037 4.302 4.340 -0.000 0.000 0.195 226 Q C -0.020 175.994 176.000 0.023 0.000 0.967 226 Q CA 1.572 57.383 55.803 0.013 0.000 0.829 226 Q CB -1.086 27.666 28.738 0.024 0.000 0.900 226 Q HN 0.541 nan 8.270 nan 0.000 0.450 227 P HA -0.148 nan 4.420 nan 0.000 0.217 227 P C 1.205 178.512 177.300 0.012 0.000 1.150 227 P CA 1.010 64.124 63.100 0.024 0.000 0.832 227 P CB -0.029 31.682 31.700 0.017 0.000 0.787 228 I N -0.027 120.542 120.570 -0.002 0.000 2.127 228 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 228 I C 2.203 178.321 176.117 0.001 0.000 1.075 228 I CA 2.013 63.307 61.300 -0.010 0.000 1.334 228 I CB -1.737 36.251 38.000 -0.020 0.000 1.040 228 I HN -0.062 nan 8.210 nan 0.000 0.405 229 A N 0.558 123.380 122.820 0.004 0.000 1.969 229 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 229 A C 1.894 179.488 177.584 0.017 0.000 1.169 229 A CA 1.559 53.600 52.037 0.007 0.000 0.635 229 A CB -1.084 17.917 19.000 0.003 0.000 0.810 229 A HN 0.566 nan 8.150 nan 0.000 0.445 230 N N -0.459 118.257 118.700 0.026 0.000 2.501 230 N HA 0.265 5.005 4.740 -0.000 0.000 0.195 230 N C 0.774 176.307 175.510 0.037 0.000 1.213 230 N CA 0.354 53.425 53.050 0.036 0.000 0.864 230 N CB 0.005 38.522 38.487 0.050 0.000 0.999 230 N HN 0.602 nan 8.380 nan 0.000 0.454 231 G N 0.343 109.163 108.800 0.034 0.000 2.198 231 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.257 231 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.257 231 G C 0.040 174.980 174.900 0.067 0.000 1.042 231 G CA 0.143 45.270 45.100 0.046 0.000 0.791 231 G HN 0.488 nan 8.290 nan 0.000 0.502 232 A N -0.414 122.441 122.820 0.058 0.000 2.331 232 A HA 0.690 5.010 4.320 -0.000 0.000 0.283 232 A C -0.049 177.591 177.584 0.092 0.000 1.142 232 A CA -0.549 51.531 52.037 0.071 0.000 0.812 232 A CB 0.545 19.570 19.000 0.041 0.000 1.074 232 A HN 1.058 nan 8.150 nan 0.000 0.497 233 F N 3.718 123.628 119.950 -0.066 0.000 2.464 233 F HA 0.351 4.878 4.527 -0.000 0.000 0.353 233 F C 0.067 175.782 175.800 -0.141 0.000 1.191 233 F CA -0.007 57.938 58.000 -0.092 0.000 1.147 233 F CB 0.359 39.300 39.000 -0.098 0.000 1.294 233 F HN 0.254 nan 8.300 nan 0.000 0.583 234 V N 7.575 127.287 119.914 -0.336 0.000 2.406 234 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 234 V C 0.137 175.989 176.094 -0.404 0.000 1.043 234 V CA -0.663 61.460 62.300 -0.294 0.000 0.915 234 V CB 1.161 32.875 31.823 -0.181 0.000 0.988 234 V HN 0.437 nan 8.190 nan 0.000 0.466 235 L N 5.132 126.158 121.223 -0.328 0.000 2.287 235 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 235 L C 0.348 177.146 176.870 -0.121 0.000 1.022 235 L CA -0.200 54.492 54.840 -0.247 0.000 0.814 235 L CB 1.927 43.868 42.059 -0.197 0.000 1.217 235 L HN 0.749 nan 8.230 nan 0.000 0.420 236 S N 4.163 119.805 115.700 -0.097 0.000 2.420 236 S HA 0.663 5.133 4.470 -0.000 0.000 0.313 236 S C -0.484 174.108 174.600 -0.014 0.000 1.079 236 S CA -0.691 57.483 58.200 -0.044 0.000 1.104 236 S CB 0.356 63.526 63.200 -0.049 0.000 0.969 236 S HN 0.420 nan 8.310 nan 0.000 0.471 237 I N 2.219 122.797 120.570 0.013 0.000 2.377 237 I HA 0.272 4.442 4.170 -0.000 0.000 0.293 237 I C 0.089 176.218 176.117 0.020 0.000 0.987 237 I CA -0.728 60.588 61.300 0.026 0.000 1.185 237 I CB 1.333 39.363 38.000 0.050 0.000 1.341 237 I HN 0.506 nan 8.210 nan 0.000 0.455 238 D N 5.359 125.769 120.400 0.017 0.000 2.745 238 D HA 0.130 4.770 4.640 -0.000 0.000 0.229 238 D C -0.338 175.973 176.300 0.018 0.000 1.088 238 D CA 0.282 54.291 54.000 0.015 0.000 1.054 238 D CB -0.032 40.776 40.800 0.012 0.000 1.132 238 D HN 0.717 nan 8.370 nan 0.000 0.464 239 T N -1.473 113.094 114.554 0.022 0.000 2.671 239 T HA 0.299 4.649 4.350 -0.000 0.000 0.300 239 T C -0.208 174.515 174.700 0.038 0.000 1.238 239 T CA -1.147 60.968 62.100 0.023 0.000 1.020 239 T CB 1.292 70.167 68.868 0.013 0.000 1.503 239 T HN 0.128 nan 8.240 nan 0.000 0.497 240 D N -0.262 120.166 120.400 0.048 0.000 2.496 240 D HA 0.223 4.863 4.640 -0.000 0.000 0.283 240 D C 0.926 177.295 176.300 0.115 0.000 1.214 240 D CA -0.785 53.268 54.000 0.088 0.000 1.089 240 D CB 0.354 41.208 40.800 0.090 0.000 1.141 240 D HN 0.324 nan 8.370 nan 0.000 0.580 241 F N 0.559 120.514 119.950 0.007 0.000 2.146 241 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 241 F C 1.810 177.608 175.800 -0.004 0.000 1.096 241 F CA 1.548 59.551 58.000 0.006 0.000 1.275 241 F CB -0.094 38.910 39.000 0.007 0.000 1.008 241 F HN 0.117 nan 8.300 nan 0.000 0.480 242 D N -0.244 120.230 120.400 0.124 0.000 2.178 242 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 242 D C 2.478 178.748 176.300 -0.050 0.000 0.974 242 D CA 1.288 55.304 54.000 0.026 0.000 0.841 242 D CB -1.019 39.819 40.800 0.064 0.000 0.953 242 D HN 0.415 nan 8.370 nan 0.000 0.478 243 G N 0.145 108.926 108.800 -0.031 0.000 2.422 243 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 243 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 243 G C 1.899 176.749 174.900 -0.084 0.000 1.146 243 G CA 0.904 45.979 45.100 -0.042 0.000 0.769 243 G HN 0.314 nan 8.290 nan 0.000 0.547 244 C N -0.116 119.109 119.300 -0.125 0.000 2.473 244 C HA 0.029 4.489 4.460 -0.000 0.000 0.279 244 C C 2.869 177.716 174.990 -0.238 0.000 1.250 244 C CA 1.159 60.078 59.018 -0.164 0.000 1.713 244 C CB -0.671 26.956 27.740 -0.187 0.000 2.066 244 C HN 0.411 nan 8.230 nan 0.000 0.474 245 M N 0.909 120.335 119.600 -0.291 0.000 2.202 245 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 245 M C 2.037 178.215 176.300 -0.204 0.000 1.063 245 M CA 1.470 56.606 55.300 -0.273 0.000 1.097 245 M CB -0.830 31.609 32.600 -0.269 0.000 1.382 245 M HN 0.369 nan 8.290 nan 0.000 0.413 246 K N -0.596 119.711 120.400 -0.155 0.000 2.103 246 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 246 K C 1.890 178.411 176.600 -0.133 0.000 1.052 246 K CA 1.009 57.226 56.287 -0.118 0.000 0.945 246 K CB -0.050 32.403 32.500 -0.077 0.000 0.722 246 K HN 0.312 nan 8.250 nan 0.000 0.443 247 L N 0.667 121.797 121.223 -0.155 0.000 2.162 247 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 247 L C 2.006 178.726 176.870 -0.251 0.000 1.086 247 L CA 0.483 55.230 54.840 -0.156 0.000 0.778 247 L CB -0.006 41.986 42.059 -0.112 0.000 0.928 247 L HN 0.174 nan 8.230 nan 0.000 0.446 248 I N -0.750 119.590 120.570 -0.384 0.000 2.286 248 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 248 I C 2.660 178.574 176.117 -0.339 0.000 1.115 248 I CA 0.931 61.902 61.300 -0.548 0.000 1.392 248 I CB -0.484 37.135 38.000 -0.635 0.000 1.065 248 I HN 0.246 nan 8.210 nan 0.000 0.418 249 R N 1.418 121.766 120.500 -0.252 0.000 2.127 249 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 249 R C 1.858 178.077 176.300 -0.135 0.000 1.134 249 R CA 1.742 57.733 56.100 -0.180 0.000 0.975 249 R CB -0.184 30.029 30.300 -0.146 0.000 0.865 249 R HN 0.509 nan 8.270 nan 0.000 0.447 250 E N -0.515 119.606 120.200 -0.130 0.000 2.158 250 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 250 E C 1.999 178.555 176.600 -0.073 0.000 0.982 250 E CA 0.935 57.283 56.400 -0.086 0.000 0.823 250 E CB 0.004 29.662 29.700 -0.070 0.000 0.766 250 E HN 0.283 nan 8.360 nan 0.000 0.468 251 I N 0.795 121.304 120.570 -0.102 0.000 2.333 251 I HA -0.177 3.993 4.170 -0.000 0.000 0.246 251 I C 2.279 178.371 176.117 -0.043 0.000 1.106 251 I CA 1.091 62.356 61.300 -0.057 0.000 1.411 251 I CB -0.189 37.784 38.000 -0.045 0.000 1.082 251 I HN -0.009 nan 8.210 nan 0.000 0.420 252 T N 0.720 115.224 114.554 -0.082 0.000 2.803 252 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 252 T C 1.968 176.657 174.700 -0.020 0.000 1.052 252 T CA 1.381 63.451 62.100 -0.049 0.000 1.136 252 T CB -0.402 68.407 68.868 -0.099 0.000 0.864 252 T HN 0.448 nan 8.240 nan 0.000 0.467 253 A N 0.903 123.704 122.820 -0.032 0.000 2.066 253 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 253 A C 2.279 179.860 177.584 -0.004 0.000 1.157 253 A CA 0.821 52.848 52.037 -0.017 0.000 0.670 253 A CB -0.055 18.929 19.000 -0.026 0.000 0.804 253 A HN 0.352 nan 8.150 nan 0.000 0.453 254 E N -0.705 119.493 120.200 -0.002 0.000 2.134 254 E HA 0.240 4.589 4.350 -0.000 0.000 0.194 254 E C 0.078 176.689 176.600 0.018 0.000 0.937 254 E CA 0.088 56.493 56.400 0.007 0.000 0.874 254 E CB -0.168 29.536 29.700 0.006 0.000 0.853 254 E HN 0.463 nan 8.360 nan 0.000 0.471 255 L N 3.561 124.800 121.223 0.026 0.000 2.289 255 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 255 L C -2.249 174.652 176.870 0.052 0.000 1.049 255 L CA -1.937 52.927 54.840 0.040 0.000 0.804 255 L CB 1.180 43.271 42.059 0.053 0.000 1.195 255 L HN -0.129 nan 8.230 nan 0.000 0.428 256 P HA 0.254 nan 4.420 nan 0.000 0.247 256 P C -0.664 176.703 177.300 0.113 0.000 1.756 256 P CA 0.107 63.255 63.100 0.079 0.000 1.117 256 P CB -0.214 31.528 31.700 0.071 0.000 1.869 257 I N 2.581 123.226 120.570 0.124 0.000 2.336 257 I HA 0.258 4.427 4.170 -0.000 0.000 0.292 257 I C 0.239 176.483 176.117 0.213 0.000 0.991 257 I CA -1.221 60.179 61.300 0.167 0.000 1.227 257 I CB 1.052 39.155 38.000 0.172 0.000 1.366 257 I HN 0.166 nan 8.210 nan 0.000 0.466 258 Y N 6.953 127.339 120.300 0.143 0.000 2.402 258 Y HA 0.363 4.912 4.550 -0.000 0.000 0.333 258 Y C -0.454 175.566 175.900 0.199 0.000 1.076 258 Y CA 0.022 58.239 58.100 0.195 0.000 1.299 258 Y CB 0.623 39.164 38.460 0.135 0.000 1.197 258 Y HN 0.404 nan 8.280 nan 0.000 0.517 259 L N 6.050 127.265 121.223 -0.013 0.000 2.289 259 L HA 0.616 4.956 4.340 -0.000 0.000 0.285 259 L C -0.284 176.616 176.870 0.050 0.000 1.049 259 L CA -0.769 54.044 54.840 -0.046 0.000 0.804 259 L CB 1.255 43.086 42.059 -0.379 0.000 1.195 259 L HN 0.744 nan 8.230 nan 0.000 0.428 260 A N 4.003 126.893 122.820 0.117 0.000 2.271 260 A HA 0.715 5.035 4.320 -0.000 0.000 0.317 260 A C -0.697 176.920 177.584 0.056 0.000 1.245 260 A CA -0.538 51.581 52.037 0.136 0.000 0.857 260 A CB 0.372 19.467 19.000 0.159 0.000 1.175 260 A HN 0.796 nan 8.150 nan 0.000 0.512 261 N N 0.160 118.884 118.700 0.041 0.000 3.316 261 N HA 0.189 4.929 4.740 -0.000 0.000 0.300 261 N C 0.653 176.183 175.510 0.034 0.000 1.567 261 N CA -0.004 53.056 53.050 0.018 0.000 0.821 261 N CB 0.172 38.637 38.487 -0.035 0.000 1.748 261 N HN 0.437 nan 8.380 nan 0.000 0.603 262 S N -0.591 115.127 115.700 0.031 0.000 2.442 262 S HA -0.052 4.418 4.470 -0.000 0.000 0.236 262 S C 1.633 176.250 174.600 0.028 0.000 1.007 262 S CA 0.670 58.894 58.200 0.039 0.000 0.965 262 S CB -0.764 62.462 63.200 0.043 0.000 0.773 262 S HN 0.493 nan 8.310 nan 0.000 0.504 263 L N 1.290 122.522 121.223 0.015 0.000 2.240 263 L HA 0.087 4.427 4.340 -0.000 0.000 0.211 263 L C 1.448 178.337 176.870 0.031 0.000 1.106 263 L CA 0.285 55.129 54.840 0.006 0.000 0.793 263 L CB -0.887 41.168 42.059 -0.007 0.000 0.927 263 L HN 0.376 nan 8.230 nan 0.000 0.446 264 N N 1.055 119.793 118.700 0.064 0.000 2.411 264 N HA -0.097 4.643 4.740 -0.000 0.000 0.261 264 N C 0.985 176.563 175.510 0.113 0.000 1.248 264 N CA 0.619 53.732 53.050 0.105 0.000 0.885 264 N CB 1.060 39.635 38.487 0.147 0.000 1.062 264 N HN 0.161 nan 8.380 nan 0.000 0.471 265 S N 3.263 119.050 115.700 0.146 0.000 2.503 265 S HA -0.023 4.447 4.470 -0.000 0.000 0.215 265 S C 1.772 176.494 174.600 0.204 0.000 1.003 265 S CA -0.331 57.977 58.200 0.181 0.000 0.910 265 S CB 0.138 63.469 63.200 0.217 0.000 0.790 265 S HN 0.495 nan 8.310 nan 0.000 0.514 266 L N 3.362 124.728 121.223 0.239 0.000 2.093 266 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 266 L C 2.699 179.620 176.870 0.084 0.000 1.085 266 L CA 1.613 56.563 54.840 0.183 0.000 0.755 266 L CB -0.535 41.664 42.059 0.233 0.000 0.904 266 L HN 0.453 nan 8.230 nan 0.000 0.435 267 R N -0.888 119.659 120.500 0.078 0.000 2.148 267 R HA -0.115 4.225 4.340 -0.000 0.000 0.227 267 R C 1.995 178.294 176.300 -0.002 0.000 1.103 267 R CA 1.407 57.514 56.100 0.011 0.000 0.983 267 R CB -0.922 29.385 30.300 0.012 0.000 0.874 267 R HN 0.356 nan 8.270 nan 0.000 0.451 268 L N 1.058 122.310 121.223 0.048 0.000 2.201 268 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 268 L C 2.195 179.050 176.870 -0.025 0.000 1.105 268 L CA 0.952 55.819 54.840 0.046 0.000 0.775 268 L CB -0.432 41.705 42.059 0.128 0.000 0.913 268 L HN 0.174 nan 8.230 nan 0.000 0.440 269 E N 0.463 120.651 120.200 -0.020 0.000 2.153 269 E HA -0.135 4.214 4.350 -0.000 0.000 0.194 269 E C 2.184 178.676 176.600 -0.181 0.000 0.988 269 E CA 1.329 57.693 56.400 -0.059 0.000 0.811 269 E CB -0.271 29.430 29.700 0.001 0.000 0.746 269 E HN 0.505 nan 8.360 nan 0.000 0.466 270 G N 0.694 109.365 108.800 -0.215 0.000 2.411 270 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.213 270 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.213 270 G C 1.519 176.263 174.900 -0.261 0.000 1.166 270 G CA 0.113 45.025 45.100 -0.314 0.000 0.802 270 G HN 0.209 nan 8.290 nan 0.000 0.533 271 Q N 0.439 120.134 119.800 -0.175 0.000 2.181 271 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 271 Q C 2.461 178.234 176.000 -0.379 0.000 0.980 271 Q CA 1.525 57.237 55.803 -0.152 0.000 0.862 271 Q CB -0.144 28.601 28.738 0.012 0.000 0.905 271 Q HN 0.710 nan 8.270 nan 0.000 0.429 272 K N 0.285 120.475 120.400 -0.349 0.000 2.283 272 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 272 K C 1.824 178.136 176.600 -0.479 0.000 1.048 272 K CA 1.637 57.657 56.287 -0.445 0.000 0.948 272 K CB -0.268 32.052 32.500 -0.300 0.000 0.742 272 K HN 0.104 nan 8.250 nan 0.000 0.458 273 T N -1.942 112.368 114.554 -0.408 0.000 3.007 273 T HA 0.071 4.421 4.350 -0.000 0.000 0.270 273 T C 2.099 176.564 174.700 -0.391 0.000 1.107 273 T CA 0.655 62.520 62.100 -0.391 0.000 1.118 273 T CB -0.135 68.497 68.868 -0.393 0.000 0.889 273 T HN 0.305 nan 8.240 nan 0.000 0.506 274 A N 1.626 124.177 122.820 -0.449 0.000 1.933 274 A HA 0.350 4.670 4.320 -0.000 0.000 0.218 274 A C 2.786 180.165 177.584 -0.342 0.000 1.175 274 A CA 1.629 53.448 52.037 -0.364 0.000 0.628 274 A CB -1.288 17.481 19.000 -0.385 0.000 0.814 274 A HN 0.731 nan 8.150 nan 0.000 0.444 275 A N 0.170 122.603 122.820 -0.646 0.000 1.873 275 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 275 A C 2.081 179.368 177.584 -0.495 0.000 1.186 275 A CA 1.434 52.977 52.037 -0.824 0.000 0.616 275 A CB -0.625 17.479 19.000 -1.494 0.000 0.823 275 A HN 0.485 nan 8.150 nan 0.000 0.442 276 I N -0.502 119.849 120.570 -0.365 0.000 2.264 276 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 276 I C 2.523 178.516 176.117 -0.206 0.000 1.111 276 I CA 1.857 63.063 61.300 -0.156 0.000 1.382 276 I CB -0.387 37.507 38.000 -0.178 0.000 1.060 276 I HN 0.521 nan 8.210 nan 0.000 0.418 277 E N 1.595 121.643 120.200 -0.253 0.000 2.051 277 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 277 E C 2.319 178.785 176.600 -0.222 0.000 0.991 277 E CA 1.351 57.596 56.400 -0.257 0.000 0.799 277 E CB -0.053 29.518 29.700 -0.216 0.000 0.748 277 E HN 0.420 nan 8.360 nan 0.000 0.449 278 I N 0.521 121.037 120.570 -0.089 0.000 2.194 278 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 278 I C 2.134 178.282 176.117 0.050 0.000 1.093 278 I CA 0.595 61.910 61.300 0.025 0.000 1.355 278 I CB -0.168 37.992 38.000 0.266 0.000 1.046 278 I HN 0.237 nan 8.210 nan 0.000 0.413 279 L N 0.091 121.343 121.223 0.048 0.000 1.994 279 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 279 L C 2.564 179.149 176.870 -0.474 0.000 1.071 279 L CA 1.796 56.630 54.840 -0.008 0.000 0.745 279 L CB -1.149 41.015 42.059 0.175 0.000 0.892 279 L HN 0.297 nan 8.230 nan 0.000 0.431 280 Q N -0.904 118.357 119.800 -0.899 0.000 2.096 280 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 280 Q C 2.138 177.712 176.000 -0.710 0.000 0.982 280 Q CA 1.648 56.657 55.803 -1.323 0.000 0.850 280 Q CB -0.007 28.156 28.738 -0.958 0.000 0.901 280 Q HN 0.555 nan 8.270 nan 0.000 0.422 281 Q N -1.134 118.371 119.800 -0.492 0.000 2.364 281 Q HA -0.093 4.247 4.340 -0.000 0.000 0.207 281 Q C 0.484 176.153 176.000 -0.552 0.000 0.970 281 Q CA 0.532 56.056 55.803 -0.464 0.000 0.888 281 Q CB 0.267 28.727 28.738 -0.463 0.000 0.951 281 Q HN 0.317 nan 8.270 nan 0.000 0.469 282 F N 0.869 120.592 119.950 -0.379 0.000 2.639 282 F HA 0.085 4.612 4.527 -0.000 0.000 0.300 282 F C -0.195 175.456 175.800 -0.250 0.000 1.109 282 F CA -0.292 57.511 58.000 -0.330 0.000 1.335 282 F CB 0.439 39.261 39.000 -0.296 0.000 1.014 282 F HN -0.029 nan 8.300 nan 0.000 0.537 283 D N -0.885 119.410 120.400 -0.175 0.000 2.699 283 D HA -0.288 4.352 4.640 -0.000 0.000 0.239 283 D C -0.416 175.919 176.300 0.059 0.000 1.136 283 D CA 0.850 54.782 54.000 -0.113 0.000 0.668 283 D CB -1.770 39.039 40.800 0.015 0.000 1.060 283 D HN 0.615 nan 8.370 nan 0.000 0.429 284 W N -1.022 120.322 121.300 0.074 0.000 4.949 284 W HA -0.253 4.407 4.660 -0.000 0.000 0.380 284 W C 0.458 177.007 176.519 0.050 0.000 1.446 284 W CA 0.163 57.552 57.345 0.073 0.000 0.869 284 W CB -2.421 27.078 29.460 0.065 0.000 2.591 284 W HN 0.230 nan 8.180 nan 0.000 1.398 285 Q N 0.104 119.992 119.800 0.146 0.000 2.331 285 Q HA 0.523 4.863 4.340 -0.000 0.000 0.267 285 Q C -0.035 175.912 176.000 -0.088 0.000 1.006 285 Q CA -1.001 54.816 55.803 0.023 0.000 0.818 285 Q CB 2.450 31.162 28.738 -0.044 0.000 1.276 285 Q HN -0.036 nan 8.270 nan 0.000 0.450 286 V N 4.542 124.399 119.914 -0.095 0.000 2.455 286 V HA 0.179 4.299 4.120 -0.000 0.000 0.273 286 V C -1.990 173.925 176.094 -0.299 0.000 1.045 286 V CA -1.457 60.750 62.300 -0.154 0.000 0.976 286 V CB 0.225 31.975 31.823 -0.122 0.000 0.993 286 V HN 0.647 nan 8.190 nan 0.000 0.475 287 P HA 0.143 nan 4.420 nan 0.000 0.269 287 P C 0.113 177.229 177.300 -0.307 0.000 1.215 287 P CA -0.120 62.760 63.100 -0.366 0.000 0.780 287 P CB 0.710 32.261 31.700 -0.248 0.000 0.898 288 D N 0.113 120.362 120.400 -0.251 0.000 2.149 288 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 288 D C -0.226 175.695 176.300 -0.630 0.000 0.972 288 D CA 1.458 55.214 54.000 -0.406 0.000 0.835 288 D CB -0.030 40.609 40.800 -0.268 0.000 0.966 288 D HN 0.425 nan 8.370 nan 0.000 0.476 289 W N -0.306 120.942 121.300 -0.087 0.000 2.883 289 W HA 0.578 5.237 4.660 -0.000 0.000 0.335 289 W C -1.324 175.160 176.519 -0.058 0.000 1.083 289 W CA -0.903 56.405 57.345 -0.061 0.000 1.233 289 W CB 1.578 31.031 29.460 -0.012 0.000 1.412 289 W HN -0.467 nan 8.180 nan 0.000 0.490 290 V N 5.011 125.028 119.914 0.171 0.000 2.483 290 V HA 0.436 4.556 4.120 -0.000 0.000 0.297 290 V C -0.308 175.840 176.094 0.091 0.000 1.027 290 V CA -0.891 61.471 62.300 0.104 0.000 0.855 290 V CB 1.378 33.239 31.823 0.063 0.000 0.995 290 V HN 0.401 nan 8.190 nan 0.000 0.424 291 I N 5.527 126.124 120.570 0.045 0.000 2.328 291 I HA 0.478 4.648 4.170 -0.000 0.000 0.287 291 I C -0.578 175.480 176.117 -0.098 0.000 1.012 291 I CA -0.670 60.633 61.300 0.004 0.000 1.195 291 I CB 1.634 39.647 38.000 0.021 0.000 1.350 291 I HN 0.263 nan 8.210 nan 0.000 0.464 292 V N 7.902 127.743 119.914 -0.121 0.000 2.459 292 V HA 0.373 4.493 4.120 -0.000 0.000 0.295 292 V C -2.269 173.767 176.094 -0.097 0.000 1.029 292 V CA -2.085 60.091 62.300 -0.207 0.000 0.874 292 V CB 1.653 33.308 31.823 -0.281 0.000 0.985 292 V HN 0.533 nan 8.190 nan 0.000 0.438 293 P HA 0.247 nan 4.420 nan 0.000 0.268 293 P C 0.215 177.515 177.300 0.000 0.000 1.205 293 P CA 0.200 63.284 63.100 -0.027 0.000 0.771 293 P CB 0.631 32.323 31.700 -0.013 0.000 0.858 294 G N 1.690 110.514 108.800 0.040 0.000 4.160 294 G HA2 0.429 4.389 3.960 -0.000 0.000 0.341 294 G HA3 0.429 4.389 3.960 -0.000 0.000 0.341 294 G C 0.812 175.760 174.900 0.080 0.000 1.510 294 G CA -0.304 44.835 45.100 0.066 0.000 1.011 294 G HN 0.566 nan 8.290 nan 0.000 0.491 295 G N 1.926 110.778 108.800 0.086 0.000 2.524 295 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.210 295 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.210 295 G C 1.513 176.465 174.900 0.088 0.000 1.187 295 G CA 0.854 46.010 45.100 0.093 0.000 0.825 295 G HN 0.565 nan 8.290 nan 0.000 0.558 296 N N 0.566 119.324 118.700 0.097 0.000 2.250 296 N HA 0.029 4.769 4.740 -0.000 0.000 0.181 296 N C 1.424 176.986 175.510 0.087 0.000 1.017 296 N CA 1.153 54.261 53.050 0.096 0.000 0.866 296 N CB -0.268 38.293 38.487 0.122 0.000 0.985 296 N HN 0.379 nan 8.380 nan 0.000 0.429 297 L N -2.617 118.666 121.223 0.100 0.000 4.610 297 L HA -0.208 4.132 4.340 -0.000 0.000 0.397 297 L C 1.584 178.522 176.870 0.113 0.000 0.806 297 L CA 0.740 55.637 54.840 0.095 0.000 2.169 297 L CB -1.823 40.273 42.059 0.063 0.000 1.402 297 L HN 0.439 nan 8.230 nan 0.000 0.603 298 G N -0.138 108.738 108.800 0.127 0.000 2.448 298 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 298 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 298 G C 1.030 176.083 174.900 0.255 0.000 1.135 298 G CA 1.163 46.363 45.100 0.167 0.000 0.784 298 G HN 0.658 nan 8.290 nan 0.000 0.543 299 N N 0.223 119.077 118.700 0.256 0.000 2.058 299 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 299 N C 2.102 177.835 175.510 0.371 0.000 1.037 299 N CA 0.954 54.187 53.050 0.305 0.000 0.848 299 N CB -0.127 38.481 38.487 0.201 0.000 1.021 299 N HN 0.262 nan 8.380 nan 0.000 0.422 300 I N 0.467 121.200 120.570 0.272 0.000 2.264 300 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 300 I C 2.088 178.420 176.117 0.359 0.000 1.111 300 I CA 1.285 62.748 61.300 0.271 0.000 1.382 300 I CB -0.166 37.936 38.000 0.170 0.000 1.060 300 I HN 0.191 nan 8.210 nan 0.000 0.418 301 Y N 1.077 121.498 120.300 0.201 0.000 2.242 301 Y HA -0.128 4.422 4.550 -0.000 0.000 0.291 301 Y C 2.334 178.381 175.900 0.245 0.000 1.137 301 Y CA 1.348 59.575 58.100 0.212 0.000 1.181 301 Y CB -0.683 37.833 38.460 0.092 0.000 0.989 301 Y HN 0.219 nan 8.280 nan 0.000 0.527 302 A N -0.101 122.804 122.820 0.142 0.000 1.877 302 A HA -0.176 4.143 4.320 -0.000 0.000 0.216 302 A C 2.096 179.581 177.584 -0.165 0.000 1.186 302 A CA 1.779 53.782 52.037 -0.057 0.000 0.620 302 A CB -1.469 17.521 19.000 -0.016 0.000 0.822 302 A HN 0.499 nan 8.150 nan 0.000 0.443 303 F N -1.623 118.295 119.950 -0.054 0.000 2.095 303 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 303 F C 2.282 178.055 175.800 -0.045 0.000 1.104 303 F CA 2.019 59.946 58.000 -0.123 0.000 1.232 303 F CB -0.855 38.174 39.000 0.047 0.000 0.987 303 F HN 0.444 nan 8.300 nan 0.000 0.475 304 Y N 1.061 121.489 120.300 0.214 0.000 2.114 304 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 304 Y C 2.428 178.331 175.900 0.006 0.000 1.165 304 Y CA 2.075 60.278 58.100 0.173 0.000 1.148 304 Y CB -0.573 37.950 38.460 0.105 0.000 0.972 304 Y HN -0.027 nan 8.280 nan 0.000 0.504 305 K N -0.394 119.837 120.400 -0.282 0.000 2.063 305 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 305 K C 2.303 178.700 176.600 -0.338 0.000 1.048 305 K CA 1.380 57.432 56.287 -0.392 0.000 0.928 305 K CB -0.696 31.574 32.500 -0.384 0.000 0.713 305 K HN 0.533 nan 8.250 nan 0.000 0.442 306 G N -0.024 108.574 108.800 -0.338 0.000 2.394 306 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.214 306 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.214 306 G C 1.172 175.931 174.900 -0.234 0.000 1.176 306 G CA 0.432 45.331 45.100 -0.334 0.000 0.786 306 G HN 0.179 nan 8.290 nan 0.000 0.533 307 F N 1.151 121.041 119.950 -0.100 0.000 2.134 307 F HA 0.081 4.608 4.527 -0.000 0.000 0.299 307 F C 2.517 178.230 175.800 -0.144 0.000 1.097 307 F CA 1.325 59.287 58.000 -0.064 0.000 1.264 307 F CB -0.345 38.633 39.000 -0.038 0.000 1.001 307 F HN 0.053 nan 8.300 nan 0.000 0.479 308 K N 0.397 120.701 120.400 -0.159 0.000 2.057 308 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 308 K C 2.157 178.641 176.600 -0.193 0.000 1.049 308 K CA 1.298 57.416 56.287 -0.283 0.000 0.931 308 K CB -0.459 31.646 32.500 -0.660 0.000 0.714 308 K HN 0.220 nan 8.250 nan 0.000 0.440 309 M N -0.471 118.997 119.600 -0.220 0.000 2.117 309 M HA -0.214 4.266 4.480 -0.000 0.000 0.262 309 M C 1.874 178.016 176.300 -0.263 0.000 1.065 309 M CA 1.627 56.732 55.300 -0.325 0.000 1.114 309 M CB -0.116 32.232 32.600 -0.420 0.000 1.361 309 M HN 0.276 nan 8.290 nan 0.000 0.408 310 C N -0.085 119.238 119.300 0.039 0.000 2.425 310 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 310 C C 2.741 177.791 174.990 0.099 0.000 1.280 310 C CA 1.046 60.200 59.018 0.226 0.000 1.744 310 C CB -1.158 26.806 27.740 0.374 0.000 1.989 310 C HN 0.617 nan 8.230 nan 0.000 0.491 311 Q N 0.954 120.781 119.800 0.045 0.000 2.046 311 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 311 Q C 1.956 177.946 176.000 -0.017 0.000 0.975 311 Q CA 1.582 57.397 55.803 0.020 0.000 0.836 311 Q CB -0.204 28.536 28.738 0.004 0.000 0.896 311 Q HN 0.681 nan 8.270 nan 0.000 0.428 312 E N 0.002 120.161 120.200 -0.068 0.000 2.268 312 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 312 E C 1.546 178.098 176.600 -0.081 0.000 0.995 312 E CA 0.592 56.944 56.400 -0.080 0.000 0.836 312 E CB 0.145 29.774 29.700 -0.119 0.000 0.763 312 E HN 0.348 nan 8.360 nan 0.000 0.491 313 L N -0.745 120.416 121.223 -0.103 0.000 2.667 313 L HA 0.242 4.582 4.340 -0.000 0.000 0.232 313 L C 1.166 178.089 176.870 0.088 0.000 1.138 313 L CA 0.144 54.957 54.840 -0.045 0.000 0.921 313 L CB 0.533 42.450 42.059 -0.237 0.000 1.180 313 L HN 0.236 nan 8.230 nan 0.000 0.487 314 G N -0.320 108.512 108.800 0.054 0.000 2.159 314 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.256 314 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.256 314 G C 0.924 175.852 174.900 0.046 0.000 0.977 314 G CA 0.212 45.346 45.100 0.057 0.000 0.652 314 G HN 0.177 nan 8.290 nan 0.000 0.531 315 L N -0.426 120.831 121.223 0.056 0.000 2.046 315 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 315 L C 1.729 178.605 176.870 0.009 0.000 1.077 315 L CA 2.488 57.300 54.840 -0.047 0.000 0.747 315 L CB -1.300 40.741 42.059 -0.030 0.000 0.896 315 L HN 0.705 nan 8.230 nan 0.000 0.432 316 V N -4.086 115.881 119.914 0.087 0.000 3.160 316 V HA 0.375 4.495 4.120 -0.000 0.000 0.310 316 V C 0.251 176.380 176.094 0.059 0.000 1.181 316 V CA -0.611 61.751 62.300 0.103 0.000 1.047 316 V CB 1.852 33.777 31.823 0.170 0.000 1.068 316 V HN 0.180 nan 8.190 nan 0.000 0.441 317 D N -0.155 120.268 120.400 0.039 0.000 2.360 317 D HA 0.132 4.772 4.640 -0.000 0.000 0.210 317 D C 0.552 176.852 176.300 0.001 0.000 1.047 317 D CA 0.220 54.229 54.000 0.015 0.000 0.854 317 D CB 0.538 41.342 40.800 0.007 0.000 0.936 317 D HN 0.884 nan 8.370 nan 0.000 0.514 318 R N -0.116 120.384 120.500 -0.001 0.000 2.747 318 R HA 0.593 4.933 4.340 -0.000 0.000 0.272 318 R C -1.026 175.252 176.300 -0.037 0.000 1.032 318 R CA -1.041 55.041 56.100 -0.030 0.000 0.896 318 R CB 0.803 31.067 30.300 -0.060 0.000 1.253 318 R HN 0.035 nan 8.270 nan 0.000 0.461 319 I N -1.756 118.770 120.570 -0.074 0.000 2.797 319 I HA 0.659 4.829 4.170 -0.000 0.000 0.307 319 I C -2.631 173.336 176.117 -0.250 0.000 1.033 319 I CA -3.011 58.217 61.300 -0.121 0.000 1.071 319 I CB 2.131 40.109 38.000 -0.037 0.000 1.255 319 I HN 0.407 nan 8.210 nan 0.000 0.445 320 P HA 0.307 nan 4.420 nan 0.000 0.274 320 P C -1.127 175.965 177.300 -0.347 0.000 1.237 320 P CA -0.451 62.365 63.100 -0.473 0.000 0.793 320 P CB 0.487 31.778 31.700 -0.682 0.000 0.977 321 R N 1.338 121.570 120.500 -0.448 0.000 2.438 321 R HA 0.414 4.754 4.340 -0.000 0.000 0.287 321 R C 0.131 176.369 176.300 -0.104 0.000 1.077 321 R CA -0.070 55.795 56.100 -0.392 0.000 1.034 321 R CB 0.227 29.964 30.300 -0.939 0.000 0.993 321 R HN 0.507 nan 8.270 nan 0.000 0.459 322 M N 2.116 121.758 119.600 0.069 0.000 2.436 322 M HA 0.327 4.807 4.480 -0.000 0.000 0.331 322 M C -0.943 175.485 176.300 0.213 0.000 1.135 322 M CA -0.863 54.534 55.300 0.161 0.000 0.987 322 M CB 2.410 35.094 32.600 0.139 0.000 1.687 322 M HN 0.223 nan 8.290 nan 0.000 0.445 323 V N 2.104 122.130 119.914 0.186 0.000 2.384 323 V HA 0.283 4.403 4.120 -0.000 0.000 0.287 323 V C -0.676 175.448 176.094 0.049 0.000 1.020 323 V CA -0.901 61.458 62.300 0.098 0.000 0.850 323 V CB 1.424 33.277 31.823 0.049 0.000 0.987 323 V HN 0.970 nan 8.190 nan 0.000 0.436 324 C N 5.833 125.156 119.300 0.039 0.000 2.325 324 C HA 0.798 5.258 4.460 -0.000 0.000 0.347 324 C C 0.732 175.748 174.990 0.044 0.000 1.263 324 C CA -0.384 58.663 59.018 0.047 0.000 1.806 324 C CB -0.461 27.327 27.740 0.079 0.000 2.405 324 C HN 1.026 nan 8.230 nan 0.000 0.537 325 A N 6.957 129.795 122.820 0.030 0.000 2.267 325 A HA 0.619 4.939 4.320 -0.000 0.000 0.315 325 A C -0.435 177.167 177.584 0.029 0.000 1.297 325 A CA -0.295 51.756 52.037 0.023 0.000 0.865 325 A CB 0.487 19.487 19.000 0.000 0.000 1.165 325 A HN 0.934 nan 8.150 nan 0.000 0.513 326 Q N 0.985 120.804 119.800 0.032 0.000 2.297 326 Q HA 0.655 4.995 4.340 -0.000 0.000 0.268 326 Q C 0.005 175.993 176.000 -0.021 0.000 1.045 326 Q CA -0.803 55.017 55.803 0.028 0.000 0.861 326 Q CB 2.319 31.096 28.738 0.064 0.000 1.344 326 Q HN 0.861 nan 8.270 nan 0.000 0.452 327 A N 0.594 123.403 122.820 -0.017 0.000 2.366 327 A HA 0.438 4.758 4.320 -0.000 0.000 0.249 327 A C 0.917 178.462 177.584 -0.066 0.000 1.084 327 A CA 0.504 52.512 52.037 -0.048 0.000 0.794 327 A CB 0.326 19.304 19.000 -0.037 0.000 1.034 327 A HN 0.911 nan 8.150 nan 0.000 0.491 328 A N 1.088 123.855 122.820 -0.088 0.000 2.019 328 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 328 A C 1.561 179.113 177.584 -0.053 0.000 1.164 328 A CA 1.856 53.834 52.037 -0.099 0.000 0.644 328 A CB -0.811 18.131 19.000 -0.096 0.000 0.805 328 A HN 0.919 nan 8.150 nan 0.000 0.449 329 N N -0.277 118.400 118.700 -0.037 0.000 2.463 329 N HA 0.258 4.998 4.740 -0.000 0.000 0.181 329 N C 0.759 176.269 175.510 -0.001 0.000 1.078 329 N CA 0.153 53.192 53.050 -0.019 0.000 0.902 329 N CB -0.026 38.448 38.487 -0.020 0.000 0.970 329 N HN 0.524 nan 8.380 nan 0.000 0.451 330 A N 1.449 124.272 122.820 0.005 0.000 2.249 330 A HA 0.255 4.575 4.320 -0.000 0.000 0.281 330 A C 0.430 178.044 177.584 0.049 0.000 1.127 330 A CA -0.668 51.387 52.037 0.029 0.000 0.833 330 A CB 0.071 19.095 19.000 0.039 0.000 1.140 330 A HN 0.409 nan 8.150 nan 0.000 0.502 331 N N -0.318 118.422 118.700 0.066 0.000 2.207 331 N HA 0.217 4.957 4.740 -0.000 0.000 0.223 331 N C -2.352 173.230 175.510 0.119 0.000 1.339 331 N CA -0.469 52.631 53.050 0.082 0.000 0.889 331 N CB -0.230 38.305 38.487 0.081 0.000 1.128 331 N HN 0.295 nan 8.380 nan 0.000 0.456 332 P HA 0.090 nan 4.420 nan 0.000 0.244 332 P C 0.496 177.928 177.300 0.219 0.000 1.632 332 P CA -0.211 62.988 63.100 0.165 0.000 0.944 332 P CB -0.043 31.738 31.700 0.136 0.000 1.569 333 L N -0.231 121.125 121.223 0.221 0.000 2.056 333 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 333 L C 2.390 179.432 176.870 0.286 0.000 1.078 333 L CA 1.728 56.723 54.840 0.257 0.000 0.749 333 L CB -1.243 40.944 42.059 0.214 0.000 0.901 333 L HN -0.067 nan 8.230 nan 0.000 0.433 334 Y N -0.291 120.097 120.300 0.148 0.000 2.128 334 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 334 Y C 2.077 178.047 175.900 0.116 0.000 1.154 334 Y CA 2.054 60.237 58.100 0.138 0.000 1.149 334 Y CB -0.320 38.197 38.460 0.095 0.000 0.976 334 Y HN 0.210 nan 8.280 nan 0.000 0.505 335 L N -0.486 120.804 121.223 0.112 0.000 2.201 335 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 335 L C 2.368 179.186 176.870 -0.087 0.000 1.105 335 L CA 2.040 56.864 54.840 -0.027 0.000 0.775 335 L CB -1.034 41.073 42.059 0.080 0.000 0.913 335 L HN 0.347 nan 8.230 nan 0.000 0.440 336 H N -2.068 116.969 119.070 -0.055 0.000 2.363 336 H HA -0.227 4.329 4.556 -0.000 0.000 0.301 336 H C 2.190 177.315 175.328 -0.338 0.000 1.074 336 H CA 1.538 57.554 56.048 -0.054 0.000 1.354 336 H CB 0.053 29.910 29.762 0.158 0.000 1.397 336 H HN 0.333 nan 8.280 nan 0.000 0.516 337 Y N 1.438 121.464 120.300 -0.455 0.000 2.224 337 Y HA -0.156 4.394 4.550 -0.000 0.000 0.289 337 Y C 1.840 177.306 175.900 -0.724 0.000 1.146 337 Y CA 1.233 58.708 58.100 -1.041 0.000 1.182 337 Y CB -0.043 37.987 38.460 -0.715 0.000 0.983 337 Y HN -0.008 nan 8.280 nan 0.000 0.524 338 K N 0.041 119.983 120.400 -0.763 0.000 2.209 338 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 338 K C 2.029 178.312 176.600 -0.528 0.000 1.048 338 K CA 1.200 57.060 56.287 -0.712 0.000 0.940 338 K CB -0.367 31.791 32.500 -0.570 0.000 0.729 338 K HN 0.310 nan 8.250 nan 0.000 0.451 339 S N -0.412 115.018 115.700 -0.450 0.000 2.522 339 S HA 0.058 4.528 4.470 -0.000 0.000 0.227 339 S C 1.050 175.458 174.600 -0.319 0.000 0.986 339 S CA 0.697 58.699 58.200 -0.329 0.000 0.929 339 S CB 0.196 63.217 63.200 -0.299 0.000 0.769 339 S HN 0.535 nan 8.310 nan 0.000 0.529 340 G N 1.145 109.652 108.800 -0.488 0.000 2.212 340 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.255 340 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.255 340 G C -0.155 174.664 174.900 -0.135 0.000 1.062 340 G CA -0.320 44.539 45.100 -0.403 0.000 0.815 340 G HN 0.527 nan 8.290 nan 0.000 0.497 341 W N -1.627 119.739 121.300 0.111 0.000 5.655 341 W HA -0.232 4.428 4.660 -0.000 0.000 0.428 341 W C 1.199 177.812 176.519 0.157 0.000 1.712 341 W CA 0.814 58.315 57.345 0.260 0.000 0.956 341 W CB -1.664 27.909 29.460 0.189 0.000 2.931 341 W HN 0.867 nan 8.180 nan 0.000 1.293 342 K N -1.575 118.907 120.400 0.137 0.000 2.645 342 K HA 0.279 4.599 4.320 -0.000 0.000 0.203 342 K C 0.151 176.660 176.600 -0.151 0.000 1.653 342 K CA 0.275 56.583 56.287 0.035 0.000 1.138 342 K CB 1.078 33.575 32.500 -0.005 0.000 1.515 342 K HN 0.100 nan 8.250 nan 0.000 0.592 364 S N 1.137 116.803 115.700 -0.057 0.000 3.319 364 S HA -0.233 4.237 4.470 -0.000 0.000 0.319 364 S C 0.960 175.501 174.600 -0.097 0.000 1.236 364 S CA 1.691 59.820 58.200 -0.117 0.000 0.964 364 S CB -1.355 61.792 63.200 -0.089 0.000 1.040 364 S HN 1.262 nan 8.310 nan 0.000 0.620 365 I N 1.328 121.869 120.570 -0.048 0.000 2.142 365 I HA -0.118 4.052 4.170 -0.000 0.000 0.240 365 I C 2.352 178.441 176.117 -0.046 0.000 1.078 365 I CA 1.680 62.971 61.300 -0.016 0.000 1.343 365 I CB -0.373 37.639 38.000 0.020 0.000 1.046 365 I HN 0.174 nan 8.210 nan 0.000 0.405 366 D N 0.502 120.873 120.400 -0.049 0.000 2.178 366 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 366 D C 2.322 178.595 176.300 -0.044 0.000 0.974 366 D CA 0.799 54.787 54.000 -0.020 0.000 0.841 366 D CB 0.031 40.860 40.800 0.047 0.000 0.953 366 D HN 0.097 nan 8.370 nan 0.000 0.478 367 R N 0.552 120.884 120.500 -0.280 0.000 2.103 367 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 367 R C 2.061 178.174 176.300 -0.312 0.000 1.142 367 R CA 1.818 57.489 56.100 -0.715 0.000 0.960 367 R CB -0.458 29.275 30.300 -0.945 0.000 0.858 367 R HN 0.103 nan 8.270 nan 0.000 0.439 368 A N -0.682 122.060 122.820 -0.131 0.000 1.930 368 A HA -0.007 4.312 4.320 -0.000 0.000 0.215 368 A C 2.238 179.790 177.584 -0.053 0.000 1.176 368 A CA 1.272 53.308 52.037 -0.001 0.000 0.632 368 A CB -0.353 18.667 19.000 0.034 0.000 0.819 368 A HN 0.186 nan 8.150 nan 0.000 0.445 369 V N -1.115 118.729 119.914 -0.118 0.000 2.407 369 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 369 V C 2.345 178.207 176.094 -0.387 0.000 1.055 369 V CA 2.057 64.147 62.300 -0.350 0.000 1.049 369 V CB -1.075 30.550 31.823 -0.331 0.000 0.662 369 V HN 0.734 nan 8.190 nan 0.000 0.455 370 Y N 1.637 121.802 120.300 -0.225 0.000 2.128 370 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 370 Y C 2.380 178.121 175.900 -0.265 0.000 1.154 370 Y CA 1.736 59.744 58.100 -0.153 0.000 1.149 370 Y CB -0.565 37.981 38.460 0.144 0.000 0.976 370 Y HN 0.141 nan 8.280 nan 0.000 0.505 371 A N 0.338 123.002 122.820 -0.261 0.000 1.902 371 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 371 A C 2.261 179.516 177.584 -0.549 0.000 1.181 371 A CA 1.882 53.526 52.037 -0.654 0.000 0.623 371 A CB -1.132 17.781 19.000 -0.146 0.000 0.818 371 A HN 0.565 nan 8.150 nan 0.000 0.443 372 L N -1.011 120.020 121.223 -0.321 0.000 2.156 372 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 372 L C 2.478 179.209 176.870 -0.233 0.000 1.095 372 L CA 1.272 56.001 54.840 -0.186 0.000 0.770 372 L CB -0.283 41.751 42.059 -0.042 0.000 0.914 372 L HN 0.323 nan 8.230 nan 0.000 0.439 373 K N -0.328 119.779 120.400 -0.487 0.000 2.155 373 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 373 K C 2.112 178.542 176.600 -0.284 0.000 1.052 373 K CA 0.733 56.767 56.287 -0.423 0.000 0.948 373 K CB 0.083 32.226 32.500 -0.596 0.000 0.728 373 K HN 0.095 nan 8.250 nan 0.000 0.448 374 K N 0.405 120.552 120.400 -0.422 0.000 2.155 374 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 374 K C 2.160 178.697 176.600 -0.106 0.000 1.052 374 K CA 1.269 57.362 56.287 -0.322 0.000 0.948 374 K CB -0.020 32.144 32.500 -0.560 0.000 0.728 374 K HN 0.353 nan 8.250 nan 0.000 0.448 375 C N -0.296 118.950 119.300 -0.090 0.000 2.791 375 C HA 0.307 4.767 4.460 -0.000 0.000 0.270 375 C C 0.360 175.343 174.990 -0.012 0.000 1.257 375 C CA -0.654 58.375 59.018 0.018 0.000 1.699 375 C CB -1.429 26.375 27.740 0.108 0.000 1.904 375 C HN 0.542 nan 8.230 nan 0.000 0.603 376 N N 0.495 119.197 118.700 0.003 0.000 2.708 376 N HA -0.048 4.692 4.740 -0.000 0.000 0.255 376 N C 0.123 175.700 175.510 0.113 0.000 1.046 376 N CA 0.925 54.016 53.050 0.068 0.000 0.715 376 N CB -1.109 37.400 38.487 0.037 0.000 0.895 376 N HN 0.922 nan 8.380 nan 0.000 0.545 377 G N -0.136 108.750 108.800 0.144 0.000 2.511 377 G HA2 0.745 4.705 3.960 -0.000 0.000 0.316 377 G HA3 0.745 4.705 3.960 -0.000 0.000 0.316 377 G C -0.231 174.714 174.900 0.077 0.000 1.210 377 G CA -0.586 44.602 45.100 0.147 0.000 0.969 377 G HN 0.268 nan 8.290 nan 0.000 0.492 378 I N -0.991 119.544 120.570 -0.057 0.000 2.740 378 I HA 0.429 4.599 4.170 -0.000 0.000 0.303 378 I C -0.370 175.460 176.117 -0.478 0.000 1.044 378 I CA -0.783 60.214 61.300 -0.505 0.000 1.064 378 I CB 2.548 40.452 38.000 -0.161 0.000 1.249 378 I HN 0.166 nan 8.210 nan 0.000 0.433 379 V N 4.027 123.461 119.914 -0.801 0.000 2.448 379 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 379 V C -0.387 175.805 176.094 0.164 0.000 1.025 379 V CA -0.624 61.583 62.300 -0.155 0.000 0.859 379 V CB 1.528 33.364 31.823 0.022 0.000 0.988 379 V HN 0.581 nan 8.190 nan 0.000 0.431 380 E N 2.464 122.781 120.200 0.195 0.000 2.312 380 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 380 E C -0.789 175.829 176.600 0.031 0.000 0.894 380 E CA -0.662 55.870 56.400 0.221 0.000 0.773 380 E CB 2.934 32.694 29.700 0.100 0.000 1.241 380 E HN 0.698 nan 8.360 nan 0.000 0.432 381 E N 0.147 120.204 120.200 -0.238 0.000 2.250 381 E HA 0.715 5.065 4.350 -0.000 0.000 0.265 381 E C -1.031 175.470 176.600 -0.165 0.000 1.033 381 E CA -0.888 55.313 56.400 -0.331 0.000 0.888 381 E CB 1.780 31.070 29.700 -0.683 0.000 1.151 381 E HN 0.439 nan 8.360 nan 0.000 0.412 382 A N 1.348 124.088 122.820 -0.135 0.000 2.408 382 A HA 0.422 4.742 4.320 -0.000 0.000 0.295 382 A C -0.487 177.040 177.584 -0.095 0.000 1.040 382 A CA -0.736 51.245 52.037 -0.094 0.000 0.707 382 A CB 1.340 20.294 19.000 -0.077 0.000 1.235 382 A HN 0.480 nan 8.150 nan 0.000 0.418 383 T N 1.165 115.669 114.554 -0.083 0.000 2.868 383 T HA 0.207 4.557 4.350 -0.000 0.000 0.292 383 T C 1.298 175.953 174.700 -0.074 0.000 1.028 383 T CA 0.073 62.129 62.100 -0.074 0.000 1.059 383 T CB 1.010 69.841 68.868 -0.060 0.000 0.991 383 T HN 0.752 nan 8.240 nan 0.000 0.531 384 E N 0.855 121.015 120.200 -0.067 0.000 2.070 384 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 384 E C 2.070 178.634 176.600 -0.061 0.000 1.004 384 E CA 1.706 58.066 56.400 -0.067 0.000 0.805 384 E CB -0.044 29.625 29.700 -0.052 0.000 0.744 384 E HN 0.806 nan 8.360 nan 0.000 0.451 385 E N -0.126 120.044 120.200 -0.050 0.000 2.106 385 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 385 E C 1.823 178.393 176.600 -0.049 0.000 0.984 385 E CA 1.192 57.569 56.400 -0.037 0.000 0.806 385 E CB 0.022 29.694 29.700 -0.047 0.000 0.750 385 E HN 0.327 nan 8.360 nan 0.000 0.458 386 E N 0.089 120.248 120.200 -0.069 0.000 2.072 386 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 386 E C 2.300 178.836 176.600 -0.106 0.000 0.985 386 E CA 1.342 57.689 56.400 -0.088 0.000 0.801 386 E CB -0.169 29.484 29.700 -0.079 0.000 0.750 386 E HN 0.347 nan 8.360 nan 0.000 0.452 387 L N -1.252 119.903 121.223 -0.114 0.000 2.109 387 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 387 L C 2.198 178.951 176.870 -0.196 0.000 1.086 387 L CA 1.377 56.127 54.840 -0.151 0.000 0.760 387 L CB -0.455 41.508 42.059 -0.161 0.000 0.910 387 L HN -0.013 nan 8.230 nan 0.000 0.437 388 M N 0.365 119.856 119.600 -0.181 0.000 2.099 388 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 388 M C 1.990 178.078 176.300 -0.354 0.000 1.067 388 M CA 1.488 56.616 55.300 -0.287 0.000 1.124 388 M CB -1.300 31.222 32.600 -0.129 0.000 1.353 388 M HN 0.337 nan 8.290 nan 0.000 0.410 389 D N 0.783 121.128 120.400 -0.091 0.000 2.123 389 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 389 D C 2.024 178.318 176.300 -0.010 0.000 0.992 389 D CA 1.820 55.889 54.000 0.115 0.000 0.833 389 D CB -0.207 40.699 40.800 0.176 0.000 0.954 389 D HN 0.345 nan 8.370 nan 0.000 0.455 390 A N 0.676 123.419 122.820 -0.128 0.000 1.902 390 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 390 A C 2.198 179.616 177.584 -0.277 0.000 1.181 390 A CA 1.346 53.277 52.037 -0.176 0.000 0.623 390 A CB -0.581 18.334 19.000 -0.141 0.000 0.818 390 A HN 0.182 nan 8.150 nan 0.000 0.443 391 M N -0.469 118.947 119.600 -0.306 0.000 2.108 391 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 391 M C 2.317 178.406 176.300 -0.351 0.000 1.066 391 M CA 1.743 56.828 55.300 -0.358 0.000 1.107 391 M CB -0.302 32.066 32.600 -0.386 0.000 1.356 391 M HN 0.474 nan 8.290 nan 0.000 0.406 392 A N -0.314 122.291 122.820 -0.358 0.000 1.897 392 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 392 A C 1.854 179.325 177.584 -0.189 0.000 1.181 392 A CA 1.412 53.316 52.037 -0.222 0.000 0.620 392 A CB -0.624 18.258 19.000 -0.197 0.000 0.821 392 A HN 0.653 nan 8.150 nan 0.000 0.443 393 Q N -0.579 119.017 119.800 -0.340 0.000 2.084 393 Q HA -0.092 4.247 4.340 -0.000 0.000 0.202 393 Q C 2.447 178.148 176.000 -0.498 0.000 0.978 393 Q CA 1.391 56.830 55.803 -0.607 0.000 0.844 393 Q CB -0.366 27.840 28.738 -0.887 0.000 0.898 393 Q HN 0.673 nan 8.270 nan 0.000 0.426 394 A N 1.332 123.803 122.820 -0.582 0.000 1.873 394 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 394 A C 1.613 178.958 177.584 -0.398 0.000 1.186 394 A CA 1.761 53.309 52.037 -0.815 0.000 0.616 394 A CB -0.492 17.915 19.000 -0.988 0.000 0.823 394 A HN 0.228 nan 8.150 nan 0.000 0.442 395 D N 0.209 120.442 120.400 -0.278 0.000 2.123 395 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 395 D C 2.390 178.666 176.300 -0.040 0.000 0.992 395 D CA 1.884 55.813 54.000 -0.119 0.000 0.833 395 D CB -0.372 40.401 40.800 -0.045 0.000 0.954 395 D HN 0.567 nan 8.370 nan 0.000 0.455 396 S N -0.517 115.166 115.700 -0.029 0.000 2.500 396 S HA -0.114 4.356 4.470 -0.000 0.000 0.239 396 S C 1.653 176.299 174.600 0.077 0.000 0.989 396 S CA 1.393 59.620 58.200 0.044 0.000 0.951 396 S CB -0.611 62.637 63.200 0.080 0.000 0.759 396 S HN 0.310 nan 8.310 nan 0.000 0.523 397 T N -3.483 111.107 114.554 0.060 0.000 3.186 397 T HA 0.603 4.953 4.350 -0.000 0.000 0.257 397 T C 1.316 176.066 174.700 0.083 0.000 1.029 397 T CA 0.367 62.536 62.100 0.115 0.000 0.916 397 T CB 0.056 69.052 68.868 0.212 0.000 1.041 397 T HN 1.015 nan 8.240 nan 0.000 0.562 398 G N 1.129 109.944 108.800 0.025 0.000 2.218 398 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 398 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 398 G C 0.007 174.843 174.900 -0.107 0.000 0.994 398 G CA -0.148 44.959 45.100 0.012 0.000 0.637 398 G HN 0.542 nan 8.290 nan 0.000 0.505 399 M N -0.168 119.306 119.600 -0.209 0.000 2.202 399 M HA 0.636 5.116 4.480 -0.000 0.000 0.316 399 M C -0.376 175.875 176.300 -0.082 0.000 1.138 399 M CA -0.107 55.013 55.300 -0.300 0.000 1.151 399 M CB 0.680 33.060 32.600 -0.366 0.000 1.422 399 M HN 0.126 nan 8.290 nan 0.000 0.471 400 F N 3.394 123.135 119.950 -0.349 0.000 2.931 400 F HA 0.440 4.967 4.527 -0.000 0.000 0.375 400 F C -1.076 174.551 175.800 -0.289 0.000 1.243 400 F CA -1.088 56.761 58.000 -0.253 0.000 1.206 400 F CB 0.390 39.284 39.000 -0.177 0.000 1.643 400 F HN 0.356 nan 8.300 nan 0.000 0.593 401 I N 1.151 121.496 120.570 -0.376 0.000 2.863 401 I HA 0.731 4.901 4.170 -0.000 0.000 0.311 401 I C 0.148 176.082 176.117 -0.306 0.000 1.026 401 I CA -1.081 60.048 61.300 -0.286 0.000 1.077 401 I CB 0.862 38.734 38.000 -0.214 0.000 1.262 401 I HN 0.403 nan 8.210 nan 0.000 0.461 402 C N 0.762 119.939 119.300 -0.204 0.000 2.403 402 C HA 0.600 5.060 4.460 -0.000 0.000 0.361 402 C C -1.248 173.457 174.990 -0.475 0.000 1.274 402 C CA -0.929 57.887 59.018 -0.338 0.000 2.433 402 C CB 0.668 28.299 27.740 -0.181 0.000 2.323 402 C HN 0.760 nan 8.230 nan 0.000 0.614 403 P HA -0.147 nan 4.420 nan 0.000 0.216 403 P C 1.430 178.417 177.300 -0.522 0.000 1.150 403 P CA 1.803 64.517 63.100 -0.644 0.000 0.837 403 P CB -0.313 30.911 31.700 -0.794 0.000 0.786 404 H N -1.165 117.709 119.070 -0.327 0.000 2.387 404 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 404 H C 1.691 176.923 175.328 -0.160 0.000 1.090 404 H CA 1.810 57.745 56.048 -0.189 0.000 1.332 404 H CB -1.454 28.233 29.762 -0.126 0.000 1.386 404 H HN 0.154 nan 8.280 nan 0.000 0.516 405 T N 0.250 114.763 114.554 -0.068 0.000 2.777 405 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 405 T C 2.417 177.030 174.700 -0.145 0.000 1.040 405 T CA 1.076 63.116 62.100 -0.101 0.000 1.141 405 T CB -0.674 68.123 68.868 -0.118 0.000 0.868 405 T HN 0.556 nan 8.240 nan 0.000 0.444 406 G N 1.186 109.864 108.800 -0.203 0.000 2.450 406 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.220 406 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.220 406 G C 1.669 176.483 174.900 -0.144 0.000 1.130 406 G CA 0.841 45.817 45.100 -0.205 0.000 0.760 406 G HN 0.441 nan 8.290 nan 0.000 0.557 407 V N 1.367 121.204 119.914 -0.129 0.000 2.343 407 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 407 V C 3.300 179.365 176.094 -0.048 0.000 1.051 407 V CA 2.003 64.253 62.300 -0.084 0.000 1.036 407 V CB -0.800 30.983 31.823 -0.067 0.000 0.654 407 V HN 0.474 nan 8.190 nan 0.000 0.451 408 A N -0.332 122.460 122.820 -0.045 0.000 1.930 408 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 408 A C 2.198 179.781 177.584 -0.001 0.000 1.175 408 A CA 1.624 53.646 52.037 -0.026 0.000 0.627 408 A CB -0.493 18.484 19.000 -0.037 0.000 0.815 408 A HN 0.509 nan 8.150 nan 0.000 0.443 409 L N -0.812 120.405 121.223 -0.009 0.000 2.093 409 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 409 L C 2.730 179.659 176.870 0.099 0.000 1.085 409 L CA 1.602 56.477 54.840 0.059 0.000 0.755 409 L CB -0.814 41.249 42.059 0.007 0.000 0.904 409 L HN 0.324 nan 8.230 nan 0.000 0.435 410 T N -0.013 114.563 114.554 0.035 0.000 2.746 410 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 410 T C 2.035 176.806 174.700 0.119 0.000 1.039 410 T CA 1.341 63.476 62.100 0.060 0.000 1.142 410 T CB -0.231 68.628 68.868 -0.015 0.000 0.866 410 T HN 0.446 nan 8.240 nan 0.000 0.444 411 A N 1.162 124.015 122.820 0.055 0.000 1.933 411 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 411 A C 2.223 179.816 177.584 0.015 0.000 1.175 411 A CA 1.212 53.269 52.037 0.033 0.000 0.628 411 A CB -0.698 18.305 19.000 0.006 0.000 0.814 411 A HN 0.410 nan 8.150 nan 0.000 0.444 412 L N -1.588 119.656 121.223 0.036 0.000 2.056 412 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 412 L C 2.152 179.042 176.870 0.032 0.000 1.078 412 L CA 2.102 56.944 54.840 0.003 0.000 0.749 412 L CB -0.854 41.239 42.059 0.057 0.000 0.901 412 L HN 0.425 nan 8.230 nan 0.000 0.433 413 F N 0.590 120.524 119.950 -0.026 0.000 2.095 413 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 413 F C 2.336 178.117 175.800 -0.033 0.000 1.104 413 F CA 2.126 60.112 58.000 -0.023 0.000 1.232 413 F CB -0.195 38.808 39.000 0.006 0.000 0.987 413 F HN 0.034 nan 8.300 nan 0.000 0.475 414 K N 0.168 120.613 120.400 0.075 0.000 2.057 414 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 414 K C 2.069 178.599 176.600 -0.117 0.000 1.050 414 K CA 1.631 57.903 56.287 -0.025 0.000 0.935 414 K CB -0.326 32.224 32.500 0.084 0.000 0.715 414 K HN 0.346 nan 8.250 nan 0.000 0.439 415 L N 0.507 121.658 121.223 -0.121 0.000 2.291 415 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 415 L C 2.411 179.155 176.870 -0.209 0.000 1.120 415 L CA 0.597 55.332 54.840 -0.175 0.000 0.799 415 L CB -0.203 41.696 42.059 -0.266 0.000 0.925 415 L HN 0.155 nan 8.230 nan 0.000 0.446 416 R N 0.174 120.541 120.500 -0.223 0.000 2.066 416 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 416 R C 1.882 178.050 176.300 -0.220 0.000 1.131 416 R CA 1.055 57.026 56.100 -0.214 0.000 0.955 416 R CB -0.526 29.646 30.300 -0.213 0.000 0.851 416 R HN 0.410 nan 8.270 nan 0.000 0.432 417 N N 1.323 119.841 118.700 -0.305 0.000 2.289 417 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 417 N C 1.627 177.046 175.510 -0.151 0.000 1.016 417 N CA 1.146 54.038 53.050 -0.264 0.000 0.872 417 N CB -0.108 38.165 38.487 -0.357 0.000 0.973 417 N HN 0.391 nan 8.380 nan 0.000 0.433 418 Q N -0.840 118.884 119.800 -0.126 0.000 2.389 418 Q HA 0.166 4.506 4.340 -0.000 0.000 0.204 418 Q C 0.832 176.797 176.000 -0.058 0.000 0.944 418 Q CA 0.561 56.321 55.803 -0.072 0.000 0.908 418 Q CB 0.332 29.041 28.738 -0.049 0.000 1.002 418 Q HN 0.417 nan 8.270 nan 0.000 0.493 419 G N 0.048 108.802 108.800 -0.077 0.000 2.136 419 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 419 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 419 G C 0.722 175.608 174.900 -0.024 0.000 0.989 419 G CA 0.351 45.422 45.100 -0.048 0.000 0.682 419 G HN 0.257 nan 8.290 nan 0.000 0.522 420 V N -0.074 119.808 119.914 -0.055 0.000 2.379 420 V HA 0.188 4.308 4.120 -0.000 0.000 0.245 420 V C 1.641 177.709 176.094 -0.044 0.000 1.044 420 V CA 1.694 63.978 62.300 -0.026 0.000 1.036 420 V CB -0.109 31.664 31.823 -0.083 0.000 0.664 420 V HN 0.487 nan 8.190 nan 0.000 0.453 421 I N 0.641 121.085 120.570 -0.210 0.000 2.336 421 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 421 I C 0.381 176.470 176.117 -0.048 0.000 0.991 421 I CA -0.393 60.771 61.300 -0.227 0.000 1.227 421 I CB 1.357 39.019 38.000 -0.564 0.000 1.366 421 I HN 0.128 nan 8.210 nan 0.000 0.466 422 A N 8.074 130.940 122.820 0.076 0.000 2.313 422 A HA 0.453 4.773 4.320 -0.000 0.000 0.261 422 A C -1.766 175.846 177.584 0.047 0.000 1.090 422 A CA -1.151 50.924 52.037 0.063 0.000 0.807 422 A CB -0.129 18.929 19.000 0.097 0.000 1.055 422 A HN 0.564 nan 8.150 nan 0.000 0.492 423 P HA -0.056 nan 4.420 nan 0.000 0.220 423 P C 1.178 178.516 177.300 0.063 0.000 1.148 423 P CA 1.675 64.793 63.100 0.029 0.000 0.803 423 P CB 0.249 31.958 31.700 0.015 0.000 0.782 424 T N -1.825 112.774 114.554 0.076 0.000 3.086 424 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 424 T C 0.235 175.004 174.700 0.115 0.000 1.074 424 T CA -0.233 61.922 62.100 0.090 0.000 0.988 424 T CB -0.759 68.150 68.868 0.068 0.000 0.988 424 T HN -0.122 nan 8.240 nan 0.000 0.530 425 D N 2.450 122.936 120.400 0.143 0.000 2.458 425 D HA 0.063 4.703 4.640 -0.000 0.000 0.243 425 D C 0.372 176.798 176.300 0.210 0.000 1.146 425 D CA 0.112 54.230 54.000 0.197 0.000 0.877 425 D CB 0.541 41.548 40.800 0.344 0.000 1.176 425 D HN 0.265 nan 8.370 nan 0.000 0.461 426 R N 1.687 122.273 120.500 0.144 0.000 2.345 426 R HA 0.145 4.485 4.340 -0.000 0.000 0.331 426 R C -0.734 175.685 176.300 0.199 0.000 1.067 426 R CA 0.136 56.311 56.100 0.124 0.000 0.962 426 R CB -0.064 30.149 30.300 -0.144 0.000 0.987 426 R HN 0.230 nan 8.270 nan 0.000 0.451 427 T N 3.710 118.466 114.554 0.337 0.000 2.807 427 T HA 0.330 4.680 4.350 -0.000 0.000 0.279 427 T C -0.822 174.116 174.700 0.397 0.000 0.993 427 T CA -0.597 61.708 62.100 0.342 0.000 0.970 427 T CB 1.867 70.903 68.868 0.279 0.000 0.950 427 T HN 0.230 nan 8.240 nan 0.000 0.441 428 V N 3.859 123.959 119.914 0.310 0.000 2.378 428 V HA 0.372 4.492 4.120 -0.000 0.000 0.288 428 V C -0.121 176.082 176.094 0.181 0.000 1.016 428 V CA -0.783 61.698 62.300 0.303 0.000 0.840 428 V CB 1.638 33.632 31.823 0.285 0.000 0.994 428 V HN 0.731 nan 8.190 nan 0.000 0.431 429 V N 6.074 126.082 119.914 0.157 0.000 2.383 429 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 429 V C 0.175 176.269 176.094 -0.000 0.000 1.036 429 V CA -0.514 61.820 62.300 0.056 0.000 0.889 429 V CB 1.731 33.586 31.823 0.053 0.000 0.985 429 V HN 0.618 nan 8.190 nan 0.000 0.459 430 V N 4.532 124.393 119.914 -0.089 0.000 2.455 430 V HA 0.228 4.348 4.120 -0.000 0.000 0.273 430 V C 0.633 176.670 176.094 -0.095 0.000 1.045 430 V CA 0.145 62.367 62.300 -0.130 0.000 0.976 430 V CB 1.411 33.016 31.823 -0.363 0.000 0.993 430 V HN 0.878 nan 8.190 nan 0.000 0.475 431 S N 3.255 118.937 115.700 -0.031 0.000 2.438 431 S HA 0.280 4.750 4.470 -0.000 0.000 0.293 431 S C 1.260 175.894 174.600 0.056 0.000 1.141 431 S CA -0.057 58.152 58.200 0.015 0.000 1.080 431 S CB 1.160 64.410 63.200 0.084 0.000 0.978 431 S HN 0.976 nan 8.310 nan 0.000 0.479 432 T N 2.619 117.206 114.554 0.056 0.000 3.009 432 T HA 0.468 4.818 4.350 -0.000 0.000 0.258 432 T C 0.601 175.513 174.700 0.354 0.000 1.063 432 T CA 0.402 62.588 62.100 0.143 0.000 1.139 432 T CB -0.028 68.873 68.868 0.055 0.000 0.890 432 T HN 0.781 nan 8.240 nan 0.000 0.471 433 A N 0.367 123.362 122.820 0.291 0.000 2.539 433 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 433 A C -1.022 176.744 177.584 0.304 0.000 1.073 433 A CA -0.836 51.412 52.037 0.352 0.000 0.700 433 A CB 0.845 20.139 19.000 0.489 0.000 1.296 433 A HN 0.384 nan 8.150 nan 0.000 0.405 434 H N 0.772 119.973 119.070 0.219 0.000 2.764 434 H HA 0.208 4.764 4.556 -0.000 0.000 0.341 434 H C 1.642 177.084 175.328 0.190 0.000 1.072 434 H CA 1.337 57.485 56.048 0.166 0.000 1.444 434 H CB 1.496 31.343 29.762 0.143 0.000 1.458 434 H HN 0.821 nan 8.280 nan 0.000 0.572 435 G N 4.633 113.540 108.800 0.177 0.000 2.499 435 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.221 435 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.221 435 G C 1.790 176.806 174.900 0.193 0.000 1.109 435 G CA 0.389 45.431 45.100 -0.097 0.000 0.749 435 G HN 0.659 nan 8.290 nan 0.000 0.568 436 L N -0.417 121.161 121.223 0.591 0.000 2.353 436 L HA -0.020 4.320 4.340 -0.000 0.000 0.220 436 L C 2.549 179.490 176.870 0.118 0.000 1.133 436 L CA 0.897 55.957 54.840 0.368 0.000 0.798 436 L CB -0.103 42.036 42.059 0.133 0.000 0.922 436 L HN 0.228 nan 8.230 nan 0.000 0.445 437 K N -0.565 119.858 120.400 0.038 0.000 2.426 437 K HA 0.058 4.378 4.320 -0.000 0.000 0.193 437 K C -0.095 176.114 176.600 -0.650 0.000 1.028 437 K CA 0.521 56.620 56.287 -0.314 0.000 1.047 437 K CB 0.320 32.565 32.500 -0.425 0.000 0.821 437 K HN 0.159 nan 8.250 nan 0.000 0.513 438 F N 0.298 120.262 119.950 0.023 0.000 2.619 438 F HA 0.084 4.611 4.527 -0.000 0.000 0.382 438 F C 1.324 177.102 175.800 -0.037 0.000 1.466 438 F CA -0.570 57.415 58.000 -0.025 0.000 1.137 438 F CB 0.430 39.383 39.000 -0.079 0.000 1.205 438 F HN -0.085 nan 8.300 nan 0.000 0.525 439 T N -3.668 110.960 114.554 0.124 0.000 2.985 439 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 439 T C 1.873 176.648 174.700 0.124 0.000 1.076 439 T CA 1.177 63.367 62.100 0.149 0.000 1.135 439 T CB 0.033 69.001 68.868 0.167 0.000 0.890 439 T HN 0.220 nan 8.240 nan 0.000 0.480 440 Q N 2.292 122.150 119.800 0.096 0.000 2.124 440 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 440 Q C 2.481 178.534 176.000 0.088 0.000 0.977 440 Q CA 2.075 57.928 55.803 0.082 0.000 0.850 440 Q CB -0.619 28.155 28.738 0.060 0.000 0.901 440 Q HN 0.770 nan 8.270 nan 0.000 0.429 441 S N -0.588 115.168 115.700 0.094 0.000 2.387 441 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 441 S C 1.747 176.392 174.600 0.074 0.000 1.026 441 S CA 0.995 59.236 58.200 0.068 0.000 0.972 441 S CB -0.218 63.004 63.200 0.036 0.000 0.814 441 S HN 0.335 nan 8.310 nan 0.000 0.477 442 K N 1.039 121.489 120.400 0.083 0.000 2.057 442 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 442 K C 2.050 178.816 176.600 0.278 0.000 1.050 442 K CA 1.345 57.725 56.287 0.155 0.000 0.935 442 K CB -0.441 32.149 32.500 0.150 0.000 0.715 442 K HN 0.362 nan 8.250 nan 0.000 0.439 443 I N 1.687 122.377 120.570 0.201 0.000 2.163 443 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 443 I C 1.690 177.896 176.117 0.148 0.000 1.085 443 I CA 1.322 62.727 61.300 0.175 0.000 1.347 443 I CB -0.260 37.810 38.000 0.117 0.000 1.044 443 I HN 0.141 nan 8.210 nan 0.000 0.408 444 D N -0.145 120.322 120.400 0.112 0.000 2.097 444 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 444 D C 1.940 178.274 176.300 0.057 0.000 0.989 444 D CA 1.370 55.412 54.000 0.070 0.000 0.827 444 D CB -0.486 40.346 40.800 0.053 0.000 0.966 444 D HN 0.356 nan 8.370 nan 0.000 0.456 445 Y N 1.248 121.508 120.300 -0.067 0.000 2.097 445 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 445 Y C 2.264 178.049 175.900 -0.191 0.000 1.152 445 Y CA 1.788 59.783 58.100 -0.175 0.000 1.136 445 Y CB -0.212 38.071 38.460 -0.296 0.000 0.975 445 Y HN 0.151 nan 8.280 nan 0.000 0.498 446 H N -1.365 117.825 119.070 0.200 0.000 2.555 446 H HA 0.102 4.658 4.556 -0.000 0.000 0.269 446 H C 1.613 176.952 175.328 0.019 0.000 0.988 446 H CA 1.068 57.187 56.048 0.119 0.000 1.178 446 H CB 0.129 29.992 29.762 0.169 0.000 1.373 446 H HN 0.290 nan 8.280 nan 0.000 0.588 447 S N 0.367 116.115 115.700 0.079 0.000 2.556 447 S HA -0.000 4.470 4.470 -0.000 0.000 0.216 447 S C 0.422 174.999 174.600 -0.039 0.000 0.970 447 S CA -0.266 57.950 58.200 0.027 0.000 0.912 447 S CB 0.097 63.317 63.200 0.034 0.000 0.790 447 S HN 0.492 nan 8.310 nan 0.000 0.504 448 N N 1.036 119.668 118.700 -0.113 0.000 2.721 448 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 448 N C 0.162 175.604 175.510 -0.113 0.000 1.072 448 N CA 0.746 53.695 53.050 -0.168 0.000 0.710 448 N CB -1.147 37.255 38.487 -0.141 0.000 0.993 448 N HN 0.497 nan 8.380 nan 0.000 0.547 449 A N -0.357 122.413 122.820 -0.083 0.000 2.574 449 A HA 0.431 4.751 4.320 -0.000 0.000 0.283 449 A C 0.275 177.833 177.584 -0.042 0.000 1.270 449 A CA -0.333 51.676 52.037 -0.047 0.000 0.945 449 A CB 0.273 19.262 19.000 -0.019 0.000 1.127 449 A HN 0.346 nan 8.150 nan 0.000 0.522 450 I N 1.703 122.234 120.570 -0.065 0.000 2.306 450 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 450 I C -2.502 173.582 176.117 -0.056 0.000 1.036 450 I CA -2.175 59.098 61.300 -0.046 0.000 1.221 450 I CB 1.490 39.471 38.000 -0.032 0.000 1.385 450 I HN 0.032 nan 8.210 nan 0.000 0.472 451 P HA 0.049 nan 4.420 nan 0.000 0.266 451 P C -0.507 176.767 177.300 -0.042 0.000 1.195 451 P CA 0.289 63.365 63.100 -0.040 0.000 0.768 451 P CB 0.295 31.978 31.700 -0.029 0.000 0.838 452 D N -0.244 120.128 120.400 -0.046 0.000 2.907 452 D HA -0.185 4.455 4.640 -0.000 0.000 0.226 452 D C -0.170 176.097 176.300 -0.056 0.000 1.141 452 D CA 1.147 55.120 54.000 -0.046 0.000 0.779 452 D CB -1.527 39.252 40.800 -0.036 0.000 1.095 452 D HN 0.416 nan 8.370 nan 0.000 0.430 453 M N -0.810 118.746 119.600 -0.073 0.000 2.284 453 M HA 0.509 4.989 4.480 -0.000 0.000 0.281 453 M C 0.408 176.625 176.300 -0.138 0.000 1.083 453 M CA -0.363 54.882 55.300 -0.092 0.000 0.965 453 M CB 1.852 34.407 32.600 -0.075 0.000 1.717 453 M HN -0.102 nan 8.290 nan 0.000 0.479 454 A N 1.693 124.420 122.820 -0.155 0.000 2.066 454 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 454 A C 0.802 178.215 177.584 -0.285 0.000 1.157 454 A CA 1.019 52.943 52.037 -0.189 0.000 0.670 454 A CB -0.799 18.097 19.000 -0.174 0.000 0.804 454 A HN 1.090 nan 8.150 nan 0.000 0.453 455 C N -0.293 118.775 119.300 -0.388 0.000 4.056 455 C HA -0.173 4.287 4.460 -0.000 0.000 0.302 455 C C 1.828 176.481 174.990 -0.563 0.000 1.356 455 C CA 0.762 59.319 59.018 -0.768 0.000 2.074 455 C CB -2.939 24.252 27.740 -0.915 0.000 1.328 455 C HN 0.818 nan 8.230 nan 0.000 0.684 456 R N -0.469 119.747 120.500 -0.474 0.000 2.148 456 R HA -0.055 4.285 4.340 -0.000 0.000 0.227 456 R C 0.840 176.894 176.300 -0.409 0.000 1.103 456 R CA 1.794 57.581 56.100 -0.520 0.000 0.983 456 R CB -0.290 29.559 30.300 -0.752 0.000 0.874 456 R HN 0.529 nan 8.270 nan 0.000 0.451 457 F N 2.115 122.130 119.950 0.108 0.000 2.684 457 F HA 0.258 4.785 4.527 -0.000 0.000 0.298 457 F C 0.464 176.435 175.800 0.285 0.000 1.120 457 F CA -1.179 56.938 58.000 0.195 0.000 1.332 457 F CB 0.018 39.137 39.000 0.199 0.000 0.986 457 F HN -0.023 nan 8.300 nan 0.000 0.524 458 S N 0.120 115.945 115.700 0.209 0.000 2.563 458 S HA 0.046 4.516 4.470 -0.000 0.000 0.284 458 S C 0.215 175.033 174.600 0.363 0.000 1.331 458 S CA -0.411 57.928 58.200 0.231 0.000 1.047 458 S CB 0.797 63.927 63.200 -0.116 0.000 0.859 458 S HN 0.334 nan 8.310 nan 0.000 0.514 459 N N 2.467 121.489 118.700 0.535 0.000 2.813 459 N HA 0.374 5.114 4.740 -0.000 0.000 0.282 459 N C -2.740 172.832 175.510 0.103 0.000 1.748 459 N CA -1.834 51.344 53.050 0.213 0.000 0.860 459 N CB 0.531 39.083 38.487 0.108 0.000 1.204 459 N HN 0.511 nan 8.380 nan 0.000 0.490 460 P HA 0.291 nan 4.420 nan 0.000 0.269 460 P C -2.558 174.746 177.300 0.007 0.000 1.215 460 P CA -0.792 62.339 63.100 0.052 0.000 0.780 460 P CB -0.097 31.626 31.700 0.038 0.000 0.898 461 P HA 0.137 nan 4.420 nan 0.000 0.271 461 P C -0.598 176.686 177.300 -0.026 0.000 1.218 461 P CA -0.156 62.926 63.100 -0.029 0.000 0.780 461 P CB 0.335 32.020 31.700 -0.025 0.000 0.901 462 V N 3.092 122.981 119.914 -0.041 0.000 2.465 462 V HA 0.140 4.260 4.120 -0.000 0.000 0.279 462 V C 0.266 176.342 176.094 -0.029 0.000 1.045 462 V CA -0.363 61.917 62.300 -0.034 0.000 0.938 462 V CB 0.920 32.716 31.823 -0.045 0.000 0.986 462 V HN 0.502 nan 8.190 nan 0.000 0.467 463 D N 3.715 124.103 120.400 -0.020 0.000 2.277 463 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 463 D C -0.450 175.840 176.300 -0.017 0.000 1.134 463 D CA 0.167 54.157 54.000 -0.016 0.000 0.863 463 D CB 1.953 42.746 40.800 -0.011 0.000 1.143 463 D HN 0.284 nan 8.370 nan 0.000 0.458 464 V N 2.085 121.989 119.914 -0.017 0.000 2.925 464 V HA 0.308 4.428 4.120 -0.000 0.000 0.311 464 V C 0.307 176.396 176.094 -0.008 0.000 1.104 464 V CA -1.114 61.177 62.300 -0.016 0.000 0.954 464 V CB 2.541 34.349 31.823 -0.025 0.000 1.022 464 V HN 0.291 nan 8.190 nan 0.000 0.427 465 K N 1.405 121.802 120.400 -0.004 0.000 2.138 465 K HA 0.579 4.899 4.320 -0.000 0.000 0.251 465 K C 0.604 177.210 176.600 0.010 0.000 1.015 465 K CA -0.010 56.279 56.287 0.004 0.000 0.917 465 K CB 0.663 33.167 32.500 0.007 0.000 1.021 465 K HN 0.874 nan 8.250 nan 0.000 0.485 466 A N 2.040 124.870 122.820 0.017 0.000 2.958 466 A HA 0.003 4.323 4.320 -0.000 0.000 0.247 466 A C -0.557 177.055 177.584 0.047 0.000 1.679 466 A CA 0.212 52.267 52.037 0.029 0.000 1.345 466 A CB -0.948 18.067 19.000 0.025 0.000 1.013 466 A HN 0.658 nan 8.150 nan 0.000 0.641 467 D N -1.443 118.986 120.400 0.048 0.000 2.502 467 D HA 0.439 5.079 4.640 -0.000 0.000 0.249 467 D C 0.571 176.929 176.300 0.097 0.000 1.092 467 D CA -0.635 53.410 54.000 0.074 0.000 0.839 467 D CB 0.595 41.423 40.800 0.047 0.000 1.264 467 D HN 0.134 nan 8.370 nan 0.000 0.511 468 F N 3.359 123.311 119.950 0.003 0.000 2.095 468 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 468 F C 1.996 177.800 175.800 0.006 0.000 1.104 468 F CA 2.264 60.267 58.000 0.005 0.000 1.232 468 F CB -0.364 38.639 39.000 0.005 0.000 0.987 468 F HN 0.518 nan 8.300 nan 0.000 0.475 469 G N -0.356 108.462 108.800 0.031 0.000 2.440 469 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 469 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 469 G C 1.802 176.632 174.900 -0.117 0.000 1.154 469 G CA 0.946 46.007 45.100 -0.065 0.000 0.767 469 G HN 0.642 nan 8.290 nan 0.000 0.552 470 A N 0.046 122.827 122.820 -0.065 0.000 1.873 470 A HA 0.106 4.425 4.320 -0.000 0.000 0.215 470 A C 2.612 180.141 177.584 -0.091 0.000 1.186 470 A CA 1.776 53.778 52.037 -0.058 0.000 0.616 470 A CB -0.690 18.295 19.000 -0.025 0.000 0.823 470 A HN 0.256 nan 8.150 nan 0.000 0.442 471 V N 0.058 119.901 119.914 -0.118 0.000 2.332 471 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 471 V C 2.712 178.693 176.094 -0.188 0.000 1.055 471 V CA 2.084 64.305 62.300 -0.132 0.000 1.038 471 V CB -0.652 31.103 31.823 -0.113 0.000 0.651 471 V HN 0.506 nan 8.190 nan 0.000 0.450 472 M N -0.613 118.789 119.600 -0.330 0.000 2.086 472 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 472 M C 2.064 178.266 176.300 -0.163 0.000 1.067 472 M CA 1.705 56.808 55.300 -0.329 0.000 1.116 472 M CB -1.254 31.018 32.600 -0.546 0.000 1.348 472 M HN 0.367 nan 8.290 nan 0.000 0.407 473 D N 0.160 120.483 120.400 -0.129 0.000 2.123 473 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 473 D C 2.178 178.457 176.300 -0.036 0.000 0.992 473 D CA 1.132 55.093 54.000 -0.065 0.000 0.833 473 D CB -0.236 40.534 40.800 -0.049 0.000 0.954 473 D HN 0.169 nan 8.370 nan 0.000 0.455 474 V N 0.994 120.884 119.914 -0.040 0.000 2.358 474 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 474 V C 2.642 178.745 176.094 0.016 0.000 1.047 474 V CA 1.016 63.308 62.300 -0.014 0.000 1.035 474 V CB -0.402 31.403 31.823 -0.030 0.000 0.658 474 V HN 0.181 nan 8.190 nan 0.000 0.452 475 L N -0.655 120.566 121.223 -0.004 0.000 2.093 475 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 475 L C 2.617 179.531 176.870 0.073 0.000 1.085 475 L CA 1.497 56.365 54.840 0.047 0.000 0.755 475 L CB -0.510 41.548 42.059 -0.001 0.000 0.904 475 L HN 0.272 nan 8.230 nan 0.000 0.435 476 K N -0.030 120.380 120.400 0.016 0.000 2.032 476 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 476 K C 2.294 178.909 176.600 0.024 0.000 1.048 476 K CA 1.925 58.218 56.287 0.009 0.000 0.927 476 K CB -0.188 32.304 32.500 -0.014 0.000 0.712 476 K HN 0.377 nan 8.250 nan 0.000 0.441 477 S N -0.018 115.706 115.700 0.039 0.000 2.428 477 S HA -0.168 4.302 4.470 -0.000 0.000 0.230 477 S C 1.948 176.594 174.600 0.077 0.000 1.014 477 S CA 0.705 58.931 58.200 0.043 0.000 0.957 477 S CB -0.493 62.732 63.200 0.041 0.000 0.784 477 S HN 0.383 nan 8.310 nan 0.000 0.499 478 Y N 2.312 122.605 120.300 -0.012 0.000 2.263 478 Y HA 0.227 4.776 4.550 -0.000 0.000 0.292 478 Y C 1.782 177.679 175.900 -0.004 0.000 1.130 478 Y CA 0.892 58.989 58.100 -0.005 0.000 1.179 478 Y CB -0.345 38.112 38.460 -0.006 0.000 0.998 478 Y HN 0.198 nan 8.280 nan 0.000 0.532 479 L N -0.648 120.514 121.223 -0.101 0.000 2.395 479 L HA 0.039 4.379 4.340 -0.000 0.000 0.218 479 L C 2.484 179.271 176.870 -0.139 0.000 1.130 479 L CA 0.826 55.561 54.840 -0.174 0.000 0.826 479 L CB -0.731 41.303 42.059 -0.042 0.000 0.941 479 L HN 0.343 nan 8.230 nan 0.000 0.451 480 G N -1.002 107.745 108.800 -0.089 0.000 2.534 480 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 480 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 480 G C 1.587 176.438 174.900 -0.081 0.000 1.128 480 G CA 0.661 45.722 45.100 -0.065 0.000 0.784 480 G HN 0.352 nan 8.290 nan 0.000 0.542 481 S N 0.854 116.479 115.700 -0.126 0.000 2.439 481 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 481 S C 1.999 176.514 174.600 -0.143 0.000 1.029 481 S CA 0.068 58.198 58.200 -0.117 0.000 0.946 481 S CB -0.043 63.090 63.200 -0.110 0.000 0.797 481 S HN 0.321 nan 8.310 nan 0.000 0.504 482 N N 1.471 120.044 118.700 -0.212 0.000 2.457 482 N HA 0.020 4.760 4.740 -0.000 0.000 0.180 482 N C 1.371 176.813 175.510 -0.113 0.000 1.050 482 N CA 0.908 53.847 53.050 -0.184 0.000 0.906 482 N CB -0.254 38.081 38.487 -0.253 0.000 0.968 482 N HN 0.389 nan 8.380 nan 0.000 0.445 483 T N 0.783 115.280 114.554 -0.095 0.000 2.612 483 T HA 0.272 4.622 4.350 -0.000 0.000 0.251 483 T C 1.189 175.858 174.700 -0.052 0.000 1.090 483 T CA 1.755 63.816 62.100 -0.064 0.000 1.198 483 T CB -0.454 68.383 68.868 -0.053 0.000 0.878 483 T HN 0.248 nan 8.240 nan 0.000 0.401 484 L N 0.000 121.195 121.223 -0.046 0.000 2.949 484 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 484 L CA 0.000 nan 54.840 nan 0.000 0.813 484 L CB 0.000 nan 42.059 nan 0.000 0.961 484 L HN 0.000 nan 8.230 nan 0.000 0.502