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 2nza_1_B DATA FIRST_RESID 13 DATA SEQUENCE PPPVRDWPAL DLDGPEFDPV LAELMREGPL TRVRLPHGEG WAWLATRYDD DATA SEQUENCE VKAITNDPRF GRAEVTQRQX XXXXXXXXPR PGSLAFADQP DHNRLRRAVA DATA SEQUENCE GAFTVGATKR LRPRAQEILD GLVDGILAEG PPADLVERVL EPFPIAVVSE DATA SEQUENCE VMGVPAADRE RVHSWTRQII STSGGAEAAE RAKRGLYGWI TETVRARAGS DATA SEQUENCE EGGDVYSMLG AAVGRGEVGE TEAVGLAGPL QIGGEAVTHN VGQMLYLLLT DATA SEQUENCE RRELMARMRE RPGARGTALD ELLRWISHRT SVGLARIALE DVEVHGTRIA DATA SEQUENCE AGEPVYVSYL AANRDPDVFP DPDRIDLDRD PNPHLAYGNG HHFCTGAVLA DATA SEQUENCE RMQTELLVDT LLERLPGLRL AVPAEQVAWR RKTMIRGPRT LPCTWHH 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.247 177.300 -0.089 0.000 1.155 13 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 13 P CB 0.000 31.664 31.700 -0.059 0.000 0.726 14 P HA 0.195 nan 4.420 nan 0.000 0.263 14 P C -2.445 174.738 177.300 -0.195 0.000 1.276 14 P CA -0.942 62.097 63.100 -0.102 0.000 0.986 14 P CB -0.190 31.481 31.700 -0.047 0.000 1.105 15 P HA -0.128 nan 4.420 nan 0.000 0.253 15 P C 0.411 177.585 177.300 -0.211 0.000 1.159 15 P CA 0.301 63.294 63.100 -0.178 0.000 0.779 15 P CB 0.192 31.823 31.700 -0.113 0.000 0.745 16 V N 5.765 125.496 119.914 -0.306 0.000 2.644 16 V HA -0.143 3.977 4.120 0.000 0.000 0.303 16 V C 1.535 177.544 176.094 -0.141 0.000 1.058 16 V CA 0.766 62.894 62.300 -0.287 0.000 1.228 16 V CB -0.717 30.915 31.823 -0.319 0.000 0.861 16 V HN 0.496 nan 8.190 nan 0.000 0.484 17 R N 3.124 123.565 120.500 -0.099 0.000 2.528 17 R HA 0.380 4.721 4.340 0.000 0.000 0.271 17 R C -0.329 175.973 176.300 0.004 0.000 1.056 17 R CA -0.808 55.260 56.100 -0.054 0.000 1.117 17 R CB 0.466 30.724 30.300 -0.070 0.000 1.085 17 R HN 0.654 nan 8.270 nan 0.000 0.530 18 D N 0.539 120.953 120.400 0.024 0.000 2.303 18 D HA 0.148 4.788 4.640 0.000 0.000 0.236 18 D C -0.975 175.419 176.300 0.156 0.000 1.068 18 D CA -0.376 53.667 54.000 0.073 0.000 0.830 18 D CB 0.653 41.475 40.800 0.037 0.000 1.109 18 D HN 0.282 nan 8.370 nan 0.000 0.496 19 W N 7.189 128.462 121.300 -0.045 0.000 2.374 19 W HA 0.388 5.048 4.660 -0.000 0.000 0.302 19 W C -2.422 174.050 176.519 -0.077 0.000 0.942 19 W CA -2.754 54.554 57.345 -0.062 0.000 1.666 19 W CB 0.067 29.486 29.460 -0.067 0.000 1.593 19 W HN 0.276 nan 8.180 nan 0.000 0.412 20 P HA 0.065 nan 4.420 nan 0.000 0.273 20 P C 0.691 177.861 177.300 -0.216 0.000 1.252 20 P CA 0.631 63.690 63.100 -0.068 0.000 0.809 20 P CB 0.682 32.367 31.700 -0.025 0.000 1.017 21 A N 0.441 123.138 122.820 -0.206 0.000 3.002 21 A HA 0.085 4.405 4.320 0.000 0.000 0.169 21 A C 0.418 177.849 177.584 -0.256 0.000 0.967 21 A CA 1.569 53.458 52.037 -0.246 0.000 1.052 21 A CB -1.200 17.699 19.000 -0.170 0.000 0.833 21 A HN 0.598 nan 8.150 nan 0.000 0.565 22 L N -1.812 119.305 121.223 -0.177 0.000 4.467 22 L HA 0.215 4.555 4.340 0.000 0.000 0.251 22 L C -2.165 174.629 176.870 -0.128 0.000 1.070 22 L CA -0.302 54.444 54.840 -0.156 0.000 1.338 22 L CB 0.602 42.536 42.059 -0.208 0.000 1.985 22 L HN 0.462 nan 8.230 nan 0.000 0.676 23 D N 4.861 125.201 120.400 -0.100 0.000 2.587 23 D HA 0.322 4.962 4.640 0.000 0.000 0.233 23 D C 0.201 176.442 176.300 -0.099 0.000 1.213 23 D CA -0.077 53.874 54.000 -0.083 0.000 0.827 23 D CB 0.325 41.090 40.800 -0.058 0.000 1.006 23 D HN 0.329 nan 8.370 nan 0.000 0.490 24 L N 0.981 122.120 121.223 -0.140 0.000 2.499 24 L HA 0.055 4.396 4.340 0.000 0.000 0.273 24 L C 0.505 177.217 176.870 -0.263 0.000 1.195 24 L CA 0.416 55.138 54.840 -0.197 0.000 0.882 24 L CB 0.520 42.432 42.059 -0.244 0.000 1.133 24 L HN -0.016 nan 8.230 nan 0.000 0.483 25 D N 3.264 123.504 120.400 -0.268 0.000 2.590 25 D HA 0.536 5.177 4.640 0.000 0.000 0.280 25 D C -0.019 175.949 176.300 -0.553 0.000 1.197 25 D CA 0.213 54.036 54.000 -0.295 0.000 0.967 25 D CB 0.503 41.265 40.800 -0.063 0.000 0.987 25 D HN 0.642 nan 8.370 nan 0.000 0.508 26 G N 1.703 109.704 108.800 -1.332 0.000 2.343 26 G HA2 0.086 4.046 3.960 0.000 0.000 0.289 26 G HA3 0.086 4.046 3.960 0.000 0.000 0.289 26 G C -2.632 171.263 174.900 -1.676 0.000 1.295 26 G CA -0.741 43.518 45.100 -1.402 0.000 0.869 26 G HN -0.034 nan 8.290 nan 0.000 0.522 27 P HA 0.197 nan 4.420 nan 0.000 0.262 27 P C 0.088 177.255 177.300 -0.223 0.000 1.304 27 P CA 0.019 62.848 63.100 -0.452 0.000 0.859 27 P CB 0.368 32.170 31.700 0.170 0.000 1.310 28 E N 0.546 120.608 120.200 -0.231 0.000 2.534 28 E HA -0.071 4.279 4.350 0.000 0.000 0.264 28 E C 0.043 176.545 176.600 -0.164 0.000 0.981 28 E CA 0.305 56.634 56.400 -0.119 0.000 0.948 28 E CB 0.156 29.790 29.700 -0.110 0.000 0.934 28 E HN 0.163 nan 8.360 nan 0.000 0.459 29 F N 1.990 121.765 119.950 -0.291 0.000 2.485 29 F HA -0.053 4.474 4.527 0.000 0.000 0.327 29 F C 1.030 176.739 175.800 -0.151 0.000 1.203 29 F CA 0.134 57.964 58.000 -0.284 0.000 1.295 29 F CB 0.596 39.422 39.000 -0.291 0.000 1.191 29 F HN 0.233 nan 8.300 nan 0.000 0.588 30 D N 5.023 125.132 120.400 -0.484 0.000 2.339 30 D HA 0.143 4.783 4.640 0.000 0.000 0.241 30 D C -1.585 174.766 176.300 0.084 0.000 1.183 30 D CA -2.066 51.840 54.000 -0.156 0.000 0.859 30 D CB 1.423 42.151 40.800 -0.119 0.000 1.067 30 D HN 0.221 nan 8.370 nan 0.000 0.484 31 P HA -0.161 nan 4.420 nan 0.000 0.216 31 P C 1.571 178.905 177.300 0.056 0.000 1.150 31 P CA 0.600 63.760 63.100 0.100 0.000 0.837 31 P CB 0.448 32.181 31.700 0.054 0.000 0.786 32 V N 0.702 120.651 119.914 0.058 0.000 2.343 32 V HA -0.210 3.910 4.120 0.000 0.000 0.247 32 V C 2.783 178.735 176.094 -0.236 0.000 1.051 32 V CA 1.541 63.825 62.300 -0.027 0.000 1.036 32 V CB -1.319 30.591 31.823 0.146 0.000 0.654 32 V HN 0.045 nan 8.190 nan 0.000 0.451 33 L N 0.004 121.102 121.223 -0.209 0.000 2.156 33 L HA -0.072 4.268 4.340 0.000 0.000 0.208 33 L C 2.546 179.399 176.870 -0.028 0.000 1.095 33 L CA 1.453 56.087 54.840 -0.344 0.000 0.770 33 L CB -0.465 41.496 42.059 -0.163 0.000 0.914 33 L HN 0.323 nan 8.230 nan 0.000 0.439 34 A N -0.234 122.675 122.820 0.148 0.000 1.908 34 A HA -0.268 4.053 4.320 0.000 0.000 0.218 34 A C 2.081 179.666 177.584 0.001 0.000 1.181 34 A CA 1.963 54.080 52.037 0.133 0.000 0.627 34 A CB -0.517 18.558 19.000 0.126 0.000 0.818 34 A HN 0.564 nan 8.150 nan 0.000 0.445 35 E N -0.804 119.374 120.200 -0.037 0.000 2.028 35 E HA -0.143 4.207 4.350 0.000 0.000 0.191 35 E C 1.878 178.419 176.600 -0.098 0.000 0.988 35 E CA 0.939 57.301 56.400 -0.063 0.000 0.799 35 E CB -0.220 29.442 29.700 -0.065 0.000 0.755 35 E HN 0.366 nan 8.360 nan 0.000 0.447 36 L N 0.555 121.670 121.223 -0.179 0.000 2.089 36 L HA -0.240 4.100 4.340 0.000 0.000 0.213 36 L C 2.226 179.021 176.870 -0.126 0.000 1.079 36 L CA 1.727 56.441 54.840 -0.211 0.000 0.758 36 L CB -0.633 41.174 42.059 -0.421 0.000 0.891 36 L HN 0.289 nan 8.230 nan 0.000 0.433 37 M N -1.676 117.869 119.600 -0.093 0.000 2.279 37 M HA -0.191 4.289 4.480 0.000 0.000 0.264 37 M C 2.169 178.455 176.300 -0.023 0.000 1.062 37 M CA 1.327 56.605 55.300 -0.037 0.000 1.099 37 M CB -0.282 32.315 32.600 -0.005 0.000 1.394 37 M HN 0.178 nan 8.290 nan 0.000 0.426 38 R N 0.076 120.557 120.500 -0.032 0.000 2.127 38 R HA -0.019 4.321 4.340 0.000 0.000 0.217 38 R C 1.911 178.201 176.300 -0.016 0.000 1.074 38 R CA 0.778 56.865 56.100 -0.022 0.000 0.991 38 R CB -0.240 30.045 30.300 -0.026 0.000 0.895 38 R HN 0.466 nan 8.270 nan 0.000 0.450 39 E N 0.447 120.633 120.200 -0.024 0.000 2.097 39 E HA -0.088 4.262 4.350 0.000 0.000 0.196 39 E C 0.893 177.497 176.600 0.007 0.000 1.000 39 E CA 1.150 57.542 56.400 -0.014 0.000 0.804 39 E CB 0.013 29.700 29.700 -0.023 0.000 0.740 39 E HN 0.418 nan 8.360 nan 0.000 0.454 40 G N -0.865 107.944 108.800 0.016 0.000 2.320 40 G HA2 0.001 3.961 3.960 0.000 0.000 0.297 40 G HA3 0.001 3.961 3.960 0.000 0.000 0.297 40 G C -2.490 172.447 174.900 0.062 0.000 1.344 40 G CA -0.412 44.713 45.100 0.041 0.000 0.851 40 G HN -0.222 nan 8.290 nan 0.000 0.567 41 P HA -0.004 nan 4.420 nan 0.000 0.216 41 P C 0.591 177.950 177.300 0.098 0.000 1.150 41 P CA 0.934 64.110 63.100 0.126 0.000 0.843 41 P CB 0.470 32.328 31.700 0.264 0.000 0.787 42 L N -0.122 121.174 121.223 0.121 0.000 2.346 42 L HA 0.512 4.852 4.340 0.000 0.000 0.276 42 L C 0.096 177.089 176.870 0.206 0.000 1.006 42 L CA -0.203 54.733 54.840 0.161 0.000 0.817 42 L CB 2.022 44.164 42.059 0.138 0.000 1.272 42 L HN 0.009 nan 8.230 nan 0.000 0.421 43 T N 0.707 115.414 114.554 0.255 0.000 2.816 43 T HA 0.646 4.996 4.350 0.000 0.000 0.299 43 T C -0.740 174.045 174.700 0.142 0.000 1.230 43 T CA -1.083 61.110 62.100 0.155 0.000 1.007 43 T CB 1.543 70.429 68.868 0.030 0.000 1.289 43 T HN 0.474 nan 8.240 nan 0.000 0.508 44 R N 1.216 121.685 120.500 -0.053 0.000 2.371 44 R HA 0.645 4.985 4.340 0.000 0.000 0.312 44 R C -0.122 176.147 176.300 -0.052 0.000 0.980 44 R CA -0.754 55.246 56.100 -0.167 0.000 0.867 44 R CB 1.706 31.650 30.300 -0.593 0.000 1.163 44 R HN 0.726 nan 8.270 nan 0.000 0.492 45 V N -0.032 119.938 119.914 0.093 0.000 3.193 45 V HA 0.650 4.771 4.120 0.000 0.000 0.320 45 V C -0.163 176.058 176.094 0.211 0.000 1.112 45 V CA -1.091 61.292 62.300 0.139 0.000 1.026 45 V CB 2.067 34.018 31.823 0.213 0.000 1.128 45 V HN 0.751 nan 8.190 nan 0.000 0.452 46 R N 1.641 122.259 120.500 0.197 0.000 2.500 46 R HA 0.578 4.918 4.340 0.000 0.000 0.299 46 R C -2.025 174.360 176.300 0.142 0.000 1.038 46 R CA -0.677 55.529 56.100 0.176 0.000 0.903 46 R CB 1.487 31.862 30.300 0.125 0.000 1.177 46 R HN 0.757 nan 8.270 nan 0.000 0.455 47 L N 6.377 127.668 121.223 0.115 0.000 2.375 47 L HA 0.435 4.775 4.340 0.000 0.000 0.271 47 L C -1.387 175.464 176.870 -0.031 0.000 1.107 47 L CA -1.761 53.083 54.840 0.007 0.000 0.806 47 L CB 0.580 42.614 42.059 -0.040 0.000 1.146 47 L HN 0.579 nan 8.230 nan 0.000 0.447 48 P HA -0.197 nan 4.420 nan 0.000 0.230 48 P C -0.111 177.091 177.300 -0.165 0.000 0.895 48 P CA 1.185 64.166 63.100 -0.197 0.000 1.085 48 P CB -0.110 31.411 31.700 -0.298 0.000 0.664 49 H N 0.161 119.212 119.070 -0.033 0.000 2.972 49 H HA 0.361 4.917 4.556 0.000 0.000 0.343 49 H C 1.093 176.421 175.328 0.000 0.000 1.054 49 H CA 1.520 57.558 56.048 -0.016 0.000 1.412 49 H CB -0.627 29.122 29.762 -0.022 0.000 1.385 49 H HN 0.595 nan 8.280 nan 0.000 0.600 50 G N 2.332 111.206 108.800 0.125 0.000 2.406 50 G HA2 -0.003 3.958 3.960 0.000 0.000 0.680 50 G HA3 -0.003 3.958 3.960 0.000 0.000 0.680 50 G C -1.499 173.435 174.900 0.055 0.000 1.338 50 G CA -1.067 44.082 45.100 0.081 0.000 0.941 50 G HN 0.473 nan 8.290 nan 0.000 0.633 51 E N -0.048 120.175 120.200 0.039 0.000 2.176 51 E HA 0.702 5.052 4.350 0.000 0.000 0.267 51 E C 0.684 177.293 176.600 0.015 0.000 0.893 51 E CA 0.654 57.072 56.400 0.029 0.000 0.761 51 E CB 1.470 31.181 29.700 0.019 0.000 1.133 51 E HN 2.236 nan 8.360 nan 0.000 0.409 52 G N 1.621 110.447 108.800 0.043 0.000 2.610 52 G HA2 -0.118 3.843 3.960 0.000 0.000 0.304 52 G HA3 -0.118 3.843 3.960 0.000 0.000 0.304 52 G C -1.165 173.792 174.900 0.096 0.000 1.309 52 G CA -0.469 44.657 45.100 0.043 0.000 0.906 52 G HN 0.550 nan 8.290 nan 0.000 0.521 53 W N -0.501 120.772 121.300 -0.045 0.000 2.850 53 W HA 0.913 5.573 4.660 0.001 0.000 0.349 53 W C -0.031 176.427 176.519 -0.101 0.000 1.133 53 W CA -0.969 56.334 57.345 -0.070 0.000 1.117 53 W CB 1.229 30.608 29.460 -0.136 0.000 1.442 53 W HN 1.898 nan 8.180 nan 0.000 0.575 54 A N 0.100 122.977 122.820 0.096 0.000 2.594 54 A HA 0.731 5.051 4.320 0.000 0.000 0.291 54 A C -1.891 175.756 177.584 0.105 0.000 1.105 54 A CA -0.971 51.011 52.037 -0.092 0.000 0.694 54 A CB 0.809 19.793 19.000 -0.027 0.000 1.291 54 A HN 0.682 nan 8.150 nan 0.000 0.410 55 W N -0.775 120.645 121.300 0.200 0.000 2.030 55 W HA 0.630 5.290 4.660 -0.001 0.000 0.371 55 W C -0.192 176.431 176.519 0.173 0.000 1.456 55 W CA 0.069 57.547 57.345 0.223 0.000 1.570 55 W CB 0.828 30.376 29.460 0.147 0.000 1.249 55 W HN 0.584 nan 8.180 nan 0.000 0.677 56 L N 1.186 122.653 121.223 0.407 0.000 2.676 56 L HA 0.599 4.939 4.340 0.000 0.000 0.262 56 L C -1.050 175.904 176.870 0.140 0.000 0.932 56 L CA -0.461 54.520 54.840 0.236 0.000 0.932 56 L CB 1.009 43.170 42.059 0.170 0.000 1.355 56 L HN 0.451 nan 8.230 nan 0.000 0.421 57 A N 2.921 125.775 122.820 0.057 0.000 2.292 57 A HA 0.710 5.031 4.320 0.000 0.000 0.319 57 A C 0.387 177.968 177.584 -0.005 0.000 1.206 57 A CA 0.116 52.152 52.037 -0.001 0.000 0.835 57 A CB 0.995 19.948 19.000 -0.077 0.000 1.164 57 A HN 0.829 nan 8.150 nan 0.000 0.505 58 T N 1.218 115.781 114.554 0.015 0.000 2.999 58 T HA 0.126 4.476 4.350 0.000 0.000 0.247 58 T C 0.744 175.482 174.700 0.064 0.000 1.012 58 T CA 0.250 62.368 62.100 0.029 0.000 1.048 58 T CB 0.002 68.884 68.868 0.023 0.000 1.020 58 T HN 0.583 nan 8.240 nan 0.000 0.478 59 R N 1.071 121.616 120.500 0.074 0.000 2.543 59 R HA 0.318 4.659 4.340 0.000 0.000 0.277 59 R C 0.672 177.055 176.300 0.137 0.000 1.074 59 R CA -0.345 55.825 56.100 0.117 0.000 1.076 59 R CB -0.219 30.159 30.300 0.129 0.000 0.993 59 R HN 0.222 nan 8.270 nan 0.000 0.459 60 Y N 2.302 122.633 120.300 0.051 0.000 1.956 60 Y HA -0.427 4.123 4.550 0.001 0.000 0.258 60 Y C 1.240 177.170 175.900 0.050 0.000 1.152 60 Y CA 2.611 60.746 58.100 0.059 0.000 1.093 60 Y CB -0.108 38.353 38.460 0.002 0.000 0.945 60 Y HN 0.748 nan 8.280 nan 0.000 0.488 61 D N 0.092 120.709 120.400 0.362 0.000 2.157 61 D HA -0.241 4.399 4.640 0.000 0.000 0.191 61 D C 1.716 178.070 176.300 0.090 0.000 1.004 61 D CA 1.961 56.099 54.000 0.230 0.000 0.854 61 D CB -0.410 40.502 40.800 0.185 0.000 0.936 61 D HN 0.459 nan 8.370 nan 0.000 0.446 62 D N -0.157 120.278 120.400 0.060 0.000 2.117 62 D HA -0.100 4.540 4.640 0.000 0.000 0.197 62 D C 2.231 178.484 176.300 -0.080 0.000 0.987 62 D CA 0.613 54.593 54.000 -0.033 0.000 0.829 62 D CB -0.318 40.431 40.800 -0.085 0.000 0.961 62 D HN 0.152 nan 8.370 nan 0.000 0.460 63 V N 0.506 120.371 119.914 -0.081 0.000 2.548 63 V HA -0.151 3.970 4.120 0.000 0.000 0.249 63 V C 1.900 177.937 176.094 -0.094 0.000 1.055 63 V CA 1.015 63.236 62.300 -0.131 0.000 1.065 63 V CB -0.344 31.385 31.823 -0.157 0.000 0.681 63 V HN 0.024 nan 8.190 nan 0.000 0.462 64 K N 0.544 120.888 120.400 -0.093 0.000 2.665 64 K HA 0.311 4.631 4.320 0.000 0.000 0.214 64 K C 0.793 177.397 176.600 0.007 0.000 1.032 64 K CA 0.769 57.026 56.287 -0.050 0.000 1.198 64 K CB -0.080 32.367 32.500 -0.087 0.000 0.941 64 K HN 0.408 nan 8.250 nan 0.000 0.491 65 A N -0.776 122.035 122.820 -0.015 0.000 1.704 65 A HA 0.237 4.557 4.320 0.000 0.000 0.211 65 A C 1.487 179.058 177.584 -0.023 0.000 1.792 65 A CA -0.123 51.915 52.037 0.002 0.000 1.264 65 A CB -0.216 18.791 19.000 0.013 0.000 1.235 65 A HN 0.196 nan 8.150 nan 0.000 0.440 66 I N 0.606 121.096 120.570 -0.133 0.000 2.264 66 I HA -0.204 3.966 4.170 0.000 0.000 0.248 66 I C 2.534 178.497 176.117 -0.258 0.000 1.111 66 I CA 1.931 63.010 61.300 -0.368 0.000 1.382 66 I CB -0.141 37.510 38.000 -0.582 0.000 1.060 66 I HN 0.434 nan 8.210 nan 0.000 0.418 67 T N -0.244 114.245 114.554 -0.109 0.000 3.055 67 T HA -0.061 4.289 4.350 0.000 0.000 0.265 67 T C 1.286 176.027 174.700 0.068 0.000 1.111 67 T CA 0.968 63.081 62.100 0.022 0.000 1.118 67 T CB -0.197 68.736 68.868 0.108 0.000 0.909 67 T HN 0.173 nan 8.240 nan 0.000 0.501 68 N N 1.829 120.554 118.700 0.041 0.000 2.467 68 N HA 0.130 4.870 4.740 0.000 0.000 0.278 68 N C -1.300 174.235 175.510 0.042 0.000 1.306 68 N CA -0.027 53.037 53.050 0.024 0.000 0.905 68 N CB 0.394 38.893 38.487 0.020 0.000 1.236 68 N HN 0.410 nan 8.380 nan 0.000 0.509 69 D N 0.255 120.724 120.400 0.115 0.000 2.473 69 D HA 0.257 4.897 4.640 0.000 0.000 0.253 69 D C -1.868 174.531 176.300 0.165 0.000 1.233 69 D CA -1.704 52.388 54.000 0.153 0.000 0.908 69 D CB 2.211 43.163 40.800 0.252 0.000 1.170 69 D HN -0.091 nan 8.370 nan 0.000 0.558 70 P HA -0.228 nan 4.420 nan 0.000 0.226 70 P C 0.805 178.106 177.300 0.001 0.000 1.154 70 P CA 1.424 64.537 63.100 0.021 0.000 0.918 70 P CB 0.127 31.821 31.700 -0.010 0.000 0.790 71 R N -2.018 118.424 120.500 -0.096 0.000 2.421 71 R HA -0.026 4.315 4.340 0.000 0.000 0.208 71 R C -0.101 175.897 176.300 -0.504 0.000 1.103 71 R CA 0.428 56.347 56.100 -0.301 0.000 1.065 71 R CB -0.847 29.199 30.300 -0.424 0.000 0.839 71 R HN 0.289 nan 8.270 nan 0.000 0.480 72 F N -0.195 119.755 119.950 -0.000 0.000 2.513 72 F HA 0.370 4.898 4.527 0.002 0.000 0.358 72 F C 0.945 176.764 175.800 0.032 0.000 1.118 72 F CA -0.990 57.011 58.000 0.001 0.000 1.037 72 F CB 1.476 40.473 39.000 -0.005 0.000 1.276 72 F HN -0.111 nan 8.300 nan 0.000 0.446 73 G N 1.395 110.287 108.800 0.153 0.000 2.547 73 G HA2 0.433 4.393 3.960 0.000 0.000 0.291 73 G HA3 0.433 4.393 3.960 0.000 0.000 0.291 73 G C 0.413 175.378 174.900 0.107 0.000 1.211 73 G CA -0.250 44.929 45.100 0.131 0.000 0.950 73 G HN 0.577 nan 8.290 nan 0.000 0.504 74 R N -0.879 119.678 120.500 0.095 0.000 2.310 74 R HA 0.294 4.634 4.340 0.000 0.000 0.199 74 R C 2.435 178.782 176.300 0.078 0.000 0.891 74 R CA 0.912 57.016 56.100 0.006 0.000 1.060 74 R CB -0.164 30.097 30.300 -0.064 0.000 1.188 74 R HN 0.488 nan 8.270 nan 0.000 0.607 75 A N 0.868 123.768 122.820 0.133 0.000 2.067 75 A HA -0.093 4.227 4.320 0.000 0.000 0.219 75 A C 1.771 179.436 177.584 0.135 0.000 1.158 75 A CA 1.266 53.404 52.037 0.169 0.000 0.661 75 A CB -0.342 18.734 19.000 0.128 0.000 0.801 75 A HN 0.227 nan 8.150 nan 0.000 0.452 76 E N 0.178 120.434 120.200 0.094 0.000 2.077 76 E HA -0.116 4.235 4.350 0.000 0.000 0.193 76 E C 2.051 178.696 176.600 0.076 0.000 0.989 76 E CA 1.342 57.780 56.400 0.064 0.000 0.800 76 E CB -0.331 29.392 29.700 0.039 0.000 0.746 76 E HN 0.352 nan 8.360 nan 0.000 0.452 77 V N 1.128 121.099 119.914 0.095 0.000 2.660 77 V HA -0.245 3.875 4.120 0.000 0.000 0.257 77 V C 2.218 178.433 176.094 0.201 0.000 1.088 77 V CA 2.023 64.392 62.300 0.115 0.000 1.106 77 V CB -0.931 30.940 31.823 0.081 0.000 0.686 77 V HN 0.244 nan 8.190 nan 0.000 0.481 78 T N -1.016 113.680 114.554 0.236 0.000 2.951 78 T HA -0.155 4.196 4.350 0.000 0.000 0.268 78 T C 1.433 176.153 174.700 0.033 0.000 1.073 78 T CA 1.016 63.184 62.100 0.114 0.000 1.134 78 T CB -0.170 68.731 68.868 0.055 0.000 0.884 78 T HN 0.412 nan 8.240 nan 0.000 0.479 79 Q N 1.199 121.026 119.800 0.045 0.000 2.640 79 Q HA 0.281 4.621 4.340 0.000 0.000 0.389 79 Q C 0.126 176.137 176.000 0.017 0.000 1.012 79 Q CA -0.290 55.524 55.803 0.019 0.000 1.060 79 Q CB -0.045 28.702 28.738 0.016 0.000 1.332 79 Q HN 0.147 nan 8.270 nan 0.000 0.418 80 R N -0.905 119.610 120.500 0.024 0.000 3.985 80 R HA 0.531 4.871 4.340 0.000 0.000 0.253 80 R C -0.851 175.462 176.300 0.022 0.000 0.994 80 R CA -0.521 55.588 56.100 0.015 0.000 0.806 80 R CB 0.706 31.012 30.300 0.011 0.000 1.750 80 R HN 0.304 nan 8.270 nan 0.000 0.388 92 R N 0.740 121.128 120.500 -0.186 0.000 2.562 92 R HA 0.729 5.069 4.340 0.000 0.000 0.298 92 R C -2.830 173.441 176.300 -0.049 0.000 0.961 92 R CA -1.709 54.349 56.100 -0.070 0.000 0.881 92 R CB -0.036 30.287 30.300 0.039 0.000 1.159 92 R HN 0.405 nan 8.270 nan 0.000 0.450 93 P HA 0.098 nan 4.420 nan 0.000 0.247 93 P C 0.661 177.961 177.300 -0.000 0.000 1.141 93 P CA 2.253 65.342 63.100 -0.018 0.000 0.858 93 P CB 0.428 32.118 31.700 -0.016 0.000 0.804 94 G N 1.568 110.381 108.800 0.021 0.000 2.155 94 G HA2 -0.147 3.813 3.960 0.000 0.000 0.135 94 G HA3 -0.147 3.813 3.960 0.000 0.000 0.135 94 G C 0.051 174.985 174.900 0.055 0.000 1.023 94 G CA -0.597 44.521 45.100 0.029 0.000 0.688 94 G HN 0.446 nan 8.290 nan 0.000 0.499 95 S N 0.743 116.504 115.700 0.101 0.000 2.423 95 S HA 0.439 4.910 4.470 0.000 0.000 0.317 95 S C 1.783 176.522 174.600 0.232 0.000 1.065 95 S CA -0.608 57.694 58.200 0.169 0.000 1.111 95 S CB 1.224 64.567 63.200 0.239 0.000 0.968 95 S HN 0.355 nan 8.310 nan 0.000 0.474 96 L N 2.474 123.806 121.223 0.183 0.000 2.103 96 L HA -0.317 4.023 4.340 0.000 0.000 0.215 96 L C 2.711 179.797 176.870 0.361 0.000 1.080 96 L CA 1.768 56.759 54.840 0.252 0.000 0.764 96 L CB -0.689 41.459 42.059 0.148 0.000 0.890 96 L HN 0.800 nan 8.230 nan 0.000 0.435 97 A N 0.332 123.299 122.820 0.245 0.000 1.852 97 A HA -0.237 4.083 4.320 0.000 0.000 0.217 97 A C 1.206 178.735 177.584 -0.091 0.000 1.215 97 A CA 1.679 53.732 52.037 0.027 0.000 0.641 97 A CB -1.069 17.927 19.000 -0.008 0.000 0.838 97 A HN 0.344 nan 8.150 nan 0.000 0.450 98 F N 0.464 120.436 119.950 0.037 0.000 2.705 98 F HA 0.547 5.074 4.527 -0.000 0.000 0.355 98 F C 0.693 176.547 175.800 0.090 0.000 1.172 98 F CA 0.142 58.159 58.000 0.029 0.000 1.332 98 F CB -0.566 38.448 39.000 0.023 0.000 1.621 98 F HN 0.307 nan 8.300 nan 0.000 0.605 99 A N 0.160 123.151 122.820 0.285 0.000 2.386 99 A HA 0.720 5.040 4.320 0.000 0.000 0.311 99 A C -0.771 176.850 177.584 0.062 0.000 1.068 99 A CA -0.657 51.505 52.037 0.208 0.000 0.743 99 A CB 1.206 20.393 19.000 0.311 0.000 1.258 99 A HN 0.286 nan 8.150 nan 0.000 0.429 100 D N -0.165 120.285 120.400 0.084 0.000 2.627 100 D HA 0.507 5.147 4.640 0.000 0.000 0.259 100 D C -0.279 176.087 176.300 0.110 0.000 1.164 100 D CA -0.275 53.776 54.000 0.085 0.000 1.087 100 D CB 0.397 41.261 40.800 0.108 0.000 1.217 100 D HN 0.437 nan 8.370 nan 0.000 0.630 101 Q N -0.124 119.758 119.800 0.136 0.000 2.226 101 Q HA 0.383 4.723 4.340 0.000 0.000 0.256 101 Q C -1.827 174.226 176.000 0.087 0.000 0.962 101 Q CA -1.524 54.357 55.803 0.131 0.000 0.887 101 Q CB 1.109 29.924 28.738 0.130 0.000 1.282 101 Q HN 0.192 nan 8.270 nan 0.000 0.449 102 P HA 0.071 nan 4.420 nan 0.000 0.255 102 P C -0.179 177.170 177.300 0.082 0.000 1.248 102 P CA 0.220 63.366 63.100 0.078 0.000 0.807 102 P CB 0.512 32.242 31.700 0.051 0.000 1.150 103 D N -1.472 118.979 120.400 0.085 0.000 2.221 103 D HA -0.201 4.439 4.640 0.000 0.000 0.204 103 D C 1.708 178.065 176.300 0.095 0.000 0.982 103 D CA 1.081 55.128 54.000 0.078 0.000 0.857 103 D CB -0.626 40.222 40.800 0.079 0.000 0.934 103 D HN 0.401 nan 8.370 nan 0.000 0.475 104 H N 0.629 119.698 119.070 -0.002 0.000 2.321 104 H HA -0.054 4.502 4.556 0.000 0.000 0.300 104 H C 1.578 176.894 175.328 -0.021 0.000 1.087 104 H CA 1.303 57.322 56.048 -0.048 0.000 1.319 104 H CB 0.292 29.966 29.762 -0.147 0.000 1.379 104 H HN 0.201 nan 8.280 nan 0.000 0.501 105 N N 0.291 119.004 118.700 0.023 0.000 2.025 105 N HA -0.192 4.548 4.740 0.000 0.000 0.194 105 N C 2.115 177.598 175.510 -0.044 0.000 1.069 105 N CA 0.775 53.809 53.050 -0.028 0.000 0.855 105 N CB -0.213 38.288 38.487 0.024 0.000 1.054 105 N HN 0.207 nan 8.380 nan 0.000 0.427 106 R N 1.129 121.625 120.500 -0.007 0.000 2.265 106 R HA -0.264 4.076 4.340 0.000 0.000 0.256 106 R C 2.054 178.339 176.300 -0.024 0.000 1.120 106 R CA 1.743 57.839 56.100 -0.007 0.000 0.956 106 R CB -0.633 29.672 30.300 0.008 0.000 0.925 106 R HN 0.283 nan 8.270 nan 0.000 0.448 107 L N -0.616 120.584 121.223 -0.039 0.000 2.023 107 L HA -0.101 4.239 4.340 0.000 0.000 0.205 107 L C 2.993 179.803 176.870 -0.100 0.000 1.073 107 L CA 1.604 56.411 54.840 -0.054 0.000 0.745 107 L CB -0.484 41.551 42.059 -0.040 0.000 0.900 107 L HN 0.304 nan 8.230 nan 0.000 0.435 108 R N -0.145 120.240 120.500 -0.191 0.000 2.080 108 R HA -0.198 4.142 4.340 0.000 0.000 0.236 108 R C 2.605 178.838 176.300 -0.111 0.000 1.137 108 R CA 1.309 57.279 56.100 -0.217 0.000 0.943 108 R CB -0.212 29.874 30.300 -0.356 0.000 0.846 108 R HN 0.081 nan 8.270 nan 0.000 0.431 109 R N 0.892 121.344 120.500 -0.079 0.000 2.133 109 R HA -0.211 4.129 4.340 0.000 0.000 0.245 109 R C 1.983 178.275 176.300 -0.014 0.000 1.137 109 R CA 2.163 58.243 56.100 -0.033 0.000 0.947 109 R CB -1.154 29.133 30.300 -0.021 0.000 0.865 109 R HN 0.417 nan 8.270 nan 0.000 0.437 110 A N -0.127 122.683 122.820 -0.016 0.000 1.894 110 A HA -0.256 4.064 4.320 0.000 0.000 0.220 110 A C 2.182 179.779 177.584 0.022 0.000 1.237 110 A CA 3.275 55.313 52.037 0.002 0.000 0.660 110 A CB -0.888 18.111 19.000 -0.002 0.000 0.835 110 A HN 0.405 nan 8.150 nan 0.000 0.461 111 V N -4.329 115.597 119.914 0.020 0.000 3.578 111 V HA 0.623 4.743 4.120 0.000 0.000 0.290 111 V C 1.970 178.141 176.094 0.130 0.000 1.376 111 V CA 0.709 63.054 62.300 0.075 0.000 1.083 111 V CB -0.621 31.245 31.823 0.071 0.000 0.911 111 V HN 0.619 nan 8.190 nan 0.000 0.433 112 A N 1.542 124.396 122.820 0.056 0.000 2.125 112 A HA 0.141 4.462 4.320 0.000 0.000 0.219 112 A C 2.141 179.817 177.584 0.154 0.000 1.156 112 A CA 1.606 53.689 52.037 0.076 0.000 0.671 112 A CB -0.859 18.143 19.000 0.003 0.000 0.794 112 A HN 0.732 nan 8.150 nan 0.000 0.459 113 G N -1.226 107.648 108.800 0.124 0.000 2.623 113 G HA2 0.229 4.189 3.960 0.000 0.000 0.214 113 G HA3 0.229 4.189 3.960 0.000 0.000 0.214 113 G C 1.249 176.187 174.900 0.064 0.000 1.138 113 G CA 0.759 45.909 45.100 0.084 0.000 0.794 113 G HN 0.708 nan 8.290 nan 0.000 0.535 114 A N -0.334 122.538 122.820 0.086 0.000 2.278 114 A HA 0.539 4.859 4.320 0.000 0.000 0.212 114 A C 0.995 178.348 177.584 -0.384 0.000 1.213 114 A CA 0.094 52.047 52.037 -0.139 0.000 0.840 114 A CB -0.194 18.681 19.000 -0.210 0.000 0.866 114 A HN 0.259 nan 8.150 nan 0.000 0.489 115 F N -0.305 119.627 119.950 -0.030 0.000 2.729 115 F HA 0.128 4.655 4.527 0.001 0.000 0.315 115 F C 1.385 177.173 175.800 -0.020 0.000 1.102 115 F CA 0.148 58.131 58.000 -0.028 0.000 1.204 115 F CB 0.087 39.071 39.000 -0.026 0.000 1.052 115 F HN 0.120 nan 8.300 nan 0.000 0.551 116 T N -2.689 111.927 114.554 0.104 0.000 2.828 116 T HA 0.188 4.538 4.350 0.000 0.000 0.290 116 T C 1.455 176.172 174.700 0.029 0.000 1.019 116 T CA -0.408 61.729 62.100 0.062 0.000 1.031 116 T CB 1.536 70.428 68.868 0.039 0.000 1.001 116 T HN -0.103 nan 8.240 nan 0.000 0.531 117 V N 2.472 122.401 119.914 0.025 0.000 2.392 117 V HA -0.053 4.067 4.120 0.000 0.000 0.249 117 V C 2.800 178.897 176.094 0.005 0.000 1.059 117 V CA 2.522 64.832 62.300 0.016 0.000 1.051 117 V CB -1.405 30.428 31.823 0.016 0.000 0.658 117 V HN 1.131 nan 8.190 nan 0.000 0.455 118 G N -0.929 107.873 108.800 0.004 0.000 2.422 118 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 118 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 118 G C 1.673 176.564 174.900 -0.014 0.000 1.140 118 G CA 0.863 45.962 45.100 -0.003 0.000 0.775 118 G HN 0.617 nan 8.290 nan 0.000 0.545 119 A N -0.044 122.763 122.820 -0.021 0.000 2.016 119 A HA 0.142 4.462 4.320 0.000 0.000 0.217 119 A C 2.448 179.994 177.584 -0.064 0.000 1.162 119 A CA 2.116 54.123 52.037 -0.049 0.000 0.662 119 A CB -0.378 18.580 19.000 -0.069 0.000 0.812 119 A HN 0.271 nan 8.150 nan 0.000 0.450 120 T N -0.086 114.440 114.554 -0.046 0.000 2.852 120 T HA -0.035 4.315 4.350 0.000 0.000 0.256 120 T C 1.865 176.552 174.700 -0.021 0.000 1.038 120 T CA 1.268 63.343 62.100 -0.043 0.000 1.141 120 T CB -0.141 68.714 68.868 -0.022 0.000 0.869 120 T HN 0.483 nan 8.240 nan 0.000 0.439 121 K N 1.105 121.500 120.400 -0.009 0.000 2.160 121 K HA -0.115 4.205 4.320 0.000 0.000 0.206 121 K C 2.462 179.059 176.600 -0.006 0.000 1.047 121 K CA 1.033 57.319 56.287 -0.001 0.000 0.930 121 K CB -0.121 32.380 32.500 0.002 0.000 0.720 121 K HN 0.186 nan 8.250 nan 0.000 0.450 122 R N 1.117 121.608 120.500 -0.015 0.000 2.070 122 R HA -0.131 4.209 4.340 0.000 0.000 0.233 122 R C 2.364 178.652 176.300 -0.021 0.000 1.137 122 R CA 1.142 57.231 56.100 -0.018 0.000 0.945 122 R CB -0.280 30.005 30.300 -0.025 0.000 0.845 122 R HN 0.112 nan 8.270 nan 0.000 0.430 123 L N 1.254 122.457 121.223 -0.034 0.000 2.131 123 L HA -0.107 4.233 4.340 0.000 0.000 0.210 123 L C 2.309 179.172 176.870 -0.012 0.000 1.092 123 L CA 1.626 56.444 54.840 -0.037 0.000 0.759 123 L CB -0.536 41.480 42.059 -0.071 0.000 0.903 123 L HN 0.131 nan 8.230 nan 0.000 0.435 124 R N 0.047 120.547 120.500 0.000 0.000 2.189 124 R HA -0.245 4.095 4.340 0.000 0.000 0.252 124 R C -0.542 175.777 176.300 0.031 0.000 1.134 124 R CA 2.861 58.975 56.100 0.023 0.000 0.954 124 R CB -1.695 28.617 30.300 0.019 0.000 0.890 124 R HN 0.324 nan 8.270 nan 0.000 0.443 125 P HA -0.175 nan 4.420 nan 0.000 0.215 125 P C 0.697 178.013 177.300 0.026 0.000 1.157 125 P CA 1.500 64.611 63.100 0.018 0.000 0.868 125 P CB -0.100 31.605 31.700 0.009 0.000 0.788 126 R N 0.476 120.989 120.500 0.021 0.000 2.073 126 R HA -0.068 4.272 4.340 0.000 0.000 0.234 126 R C 2.063 178.398 176.300 0.058 0.000 1.134 126 R CA 2.141 58.256 56.100 0.025 0.000 0.952 126 R CB -1.616 28.686 30.300 0.004 0.000 0.850 126 R HN 0.049 nan 8.270 nan 0.000 0.433 127 A N 0.143 123.006 122.820 0.070 0.000 1.883 127 A HA -0.233 4.087 4.320 0.000 0.000 0.217 127 A C 2.136 179.872 177.584 0.254 0.000 1.186 127 A CA 1.812 53.949 52.037 0.167 0.000 0.624 127 A CB -0.756 18.336 19.000 0.152 0.000 0.822 127 A HN 0.501 nan 8.150 nan 0.000 0.444 128 Q N 0.031 119.907 119.800 0.127 0.000 2.170 128 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 128 Q C 1.875 177.898 176.000 0.039 0.000 0.976 128 Q CA 2.163 58.001 55.803 0.058 0.000 0.858 128 Q CB -0.302 28.450 28.738 0.022 0.000 0.907 128 Q HN 0.785 nan 8.270 nan 0.000 0.433 129 E N -0.344 119.889 120.200 0.055 0.000 2.028 129 E HA -0.145 4.206 4.350 0.000 0.000 0.190 129 E C 1.949 178.585 176.600 0.060 0.000 0.984 129 E CA 1.176 57.599 56.400 0.038 0.000 0.800 129 E CB -0.224 29.495 29.700 0.032 0.000 0.758 129 E HN 0.502 nan 8.360 nan 0.000 0.448 130 I N 1.183 121.820 120.570 0.113 0.000 2.145 130 I HA -0.309 3.861 4.170 0.000 0.000 0.244 130 I C 2.686 178.906 176.117 0.171 0.000 1.075 130 I CA 0.805 62.197 61.300 0.155 0.000 1.332 130 I CB -0.425 37.697 38.000 0.202 0.000 1.033 130 I HN 0.283 nan 8.210 nan 0.000 0.410 131 L N 0.959 122.284 121.223 0.170 0.000 1.989 131 L HA -0.265 4.076 4.340 0.000 0.000 0.211 131 L C 2.110 178.911 176.870 -0.114 0.000 1.071 131 L CA 2.057 56.816 54.840 -0.135 0.000 0.749 131 L CB -0.973 40.790 42.059 -0.494 0.000 0.890 131 L HN 0.203 nan 8.230 nan 0.000 0.431 132 D N -0.363 119.991 120.400 -0.078 0.000 2.158 132 D HA -0.181 4.459 4.640 0.000 0.000 0.197 132 D C 2.020 178.290 176.300 -0.051 0.000 0.995 132 D CA 1.464 55.420 54.000 -0.073 0.000 0.846 132 D CB -0.315 40.457 40.800 -0.047 0.000 0.941 132 D HN 0.586 nan 8.370 nan 0.000 0.456 133 G N 1.094 109.884 108.800 -0.016 0.000 2.480 133 G HA2 -0.219 3.742 3.960 0.000 0.000 0.216 133 G HA3 -0.219 3.742 3.960 0.000 0.000 0.216 133 G C 1.872 176.764 174.900 -0.014 0.000 1.200 133 G CA 0.406 45.504 45.100 -0.003 0.000 0.782 133 G HN 0.255 nan 8.290 nan 0.000 0.554 134 L N 0.214 121.431 121.223 -0.009 0.000 2.043 134 L HA -0.145 4.195 4.340 0.000 0.000 0.212 134 L C 3.031 179.859 176.870 -0.070 0.000 1.075 134 L CA 0.738 55.565 54.840 -0.022 0.000 0.752 134 L CB -0.655 41.398 42.059 -0.010 0.000 0.891 134 L HN 0.108 nan 8.230 nan 0.000 0.432 135 V N -0.304 119.544 119.914 -0.111 0.000 2.343 135 V HA -0.287 3.833 4.120 0.000 0.000 0.247 135 V C 2.193 178.207 176.094 -0.133 0.000 1.051 135 V CA 1.840 64.041 62.300 -0.164 0.000 1.036 135 V CB -0.596 31.110 31.823 -0.195 0.000 0.654 135 V HN 0.453 nan 8.190 nan 0.000 0.451 136 D N 0.863 121.213 120.400 -0.083 0.000 2.126 136 D HA -0.204 4.437 4.640 0.000 0.000 0.190 136 D C 2.197 178.477 176.300 -0.033 0.000 1.001 136 D CA 1.990 55.960 54.000 -0.050 0.000 0.841 136 D CB -0.728 40.057 40.800 -0.025 0.000 0.949 136 D HN 0.489 nan 8.370 nan 0.000 0.446 137 G N 1.659 110.443 108.800 -0.026 0.000 2.491 137 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 137 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 137 G C 1.840 176.744 174.900 0.006 0.000 1.180 137 G CA 1.525 46.623 45.100 -0.004 0.000 0.774 137 G HN 0.480 nan 8.290 nan 0.000 0.562 138 I N -1.415 119.138 120.570 -0.029 0.000 2.315 138 I HA -0.003 4.168 4.170 0.000 0.000 0.248 138 I C 2.595 178.752 176.117 0.067 0.000 1.117 138 I CA 0.959 62.263 61.300 0.008 0.000 1.404 138 I CB -0.338 37.602 38.000 -0.100 0.000 1.071 138 I HN 0.116 nan 8.210 nan 0.000 0.419 139 L N 1.384 122.572 121.223 -0.058 0.000 2.012 139 L HA -0.200 4.141 4.340 0.000 0.000 0.210 139 L C 3.087 180.050 176.870 0.155 0.000 1.073 139 L CA 1.609 56.466 54.840 0.028 0.000 0.748 139 L CB -0.856 41.169 42.059 -0.057 0.000 0.891 139 L HN 0.436 nan 8.230 nan 0.000 0.431 140 A N 0.035 122.917 122.820 0.103 0.000 1.842 140 A HA -0.299 4.021 4.320 0.000 0.000 0.217 140 A C 2.128 179.799 177.584 0.145 0.000 1.206 140 A CA 2.119 54.231 52.037 0.125 0.000 0.630 140 A CB -0.857 18.188 19.000 0.076 0.000 0.839 140 A HN 0.443 nan 8.150 nan 0.000 0.447 141 E N -1.170 119.092 120.200 0.103 0.000 2.086 141 E HA 0.093 4.443 4.350 0.000 0.000 0.200 141 E C 0.954 177.581 176.600 0.045 0.000 1.012 141 E CA 0.887 57.337 56.400 0.083 0.000 0.812 141 E CB -0.266 29.475 29.700 0.069 0.000 0.743 141 E HN 0.933 nan 8.360 nan 0.000 0.453 142 G N -1.213 107.589 108.800 0.004 0.000 2.528 142 G HA2 -0.105 3.855 3.960 0.000 0.000 0.681 142 G HA3 -0.105 3.855 3.960 0.000 0.000 0.681 142 G C -2.352 172.317 174.900 -0.385 0.000 1.340 142 G CA -0.670 44.224 45.100 -0.343 0.000 0.855 142 G HN -0.151 nan 8.290 nan 0.000 0.649 143 P HA -0.198 nan 4.420 nan 0.000 0.229 143 P C -1.923 174.800 177.300 -0.961 0.000 1.073 143 P CA 2.178 64.353 63.100 -1.542 0.000 1.022 143 P CB -0.733 30.409 31.700 -0.930 0.000 0.752 144 P HA 0.272 nan 4.420 nan 0.000 0.273 144 P C -0.921 176.324 177.300 -0.093 0.000 1.319 144 P CA 0.916 63.875 63.100 -0.234 0.000 0.885 144 P CB 0.247 31.859 31.700 -0.147 0.000 1.015 145 A N 2.947 125.771 122.820 0.007 0.000 2.549 145 A HA 0.524 4.844 4.320 0.000 0.000 0.297 145 A C -1.287 176.371 177.584 0.124 0.000 1.061 145 A CA -0.539 51.581 52.037 0.138 0.000 0.690 145 A CB 1.256 20.467 19.000 0.351 0.000 1.287 145 A HN 0.334 nan 8.150 nan 0.000 0.402 146 D N 2.233 122.680 120.400 0.079 0.000 2.456 146 D HA 0.387 5.027 4.640 0.000 0.000 0.219 146 D C 0.966 177.293 176.300 0.046 0.000 1.126 146 D CA -0.347 53.683 54.000 0.050 0.000 0.890 146 D CB 0.148 40.964 40.800 0.027 0.000 1.025 146 D HN 0.397 nan 8.370 nan 0.000 0.511 147 L N 2.802 124.053 121.223 0.046 0.000 2.137 147 L HA -0.227 4.113 4.340 0.000 0.000 0.213 147 L C 2.117 178.990 176.870 0.005 0.000 1.085 147 L CA 0.668 55.516 54.840 0.012 0.000 0.760 147 L CB -0.413 41.646 42.059 0.000 0.000 0.893 147 L HN 0.368 nan 8.230 nan 0.000 0.434 148 V N -0.100 119.822 119.914 0.013 0.000 2.214 148 V HA -0.324 3.796 4.120 0.000 0.000 0.244 148 V C 2.425 178.530 176.094 0.017 0.000 1.045 148 V CA 2.254 64.564 62.300 0.016 0.000 0.993 148 V CB -0.564 31.268 31.823 0.016 0.000 0.633 148 V HN 0.514 nan 8.190 nan 0.000 0.449 149 E N -0.479 119.732 120.200 0.018 0.000 2.478 149 E HA -0.163 4.187 4.350 0.000 0.000 0.198 149 E C 2.090 178.700 176.600 0.017 0.000 1.046 149 E CA 0.549 56.960 56.400 0.018 0.000 0.870 149 E CB 0.152 29.863 29.700 0.018 0.000 0.818 149 E HN 0.420 nan 8.360 nan 0.000 0.527 150 R N -0.676 119.834 120.500 0.015 0.000 2.279 150 R HA 0.124 4.465 4.340 0.000 0.000 0.195 150 R C 1.582 177.882 176.300 -0.001 0.000 0.905 150 R CA 0.366 56.473 56.100 0.011 0.000 1.044 150 R CB 0.937 31.247 30.300 0.015 0.000 1.056 150 R HN 0.081 nan 8.270 nan 0.000 0.535 151 V N -0.310 119.601 119.914 -0.004 0.000 3.889 151 V HA 0.037 4.157 4.120 0.000 0.000 0.184 151 V C 2.046 178.159 176.094 0.032 0.000 1.311 151 V CA -0.091 62.200 62.300 -0.015 0.000 1.277 151 V CB -0.392 31.380 31.823 -0.084 0.000 1.364 151 V HN -0.063 nan 8.190 nan 0.000 0.567 152 L N 0.830 122.061 121.223 0.014 0.000 2.051 152 L HA -0.211 4.129 4.340 0.000 0.000 0.214 152 L C 2.648 179.544 176.870 0.043 0.000 1.076 152 L CA 2.209 57.072 54.840 0.039 0.000 0.758 152 L CB -0.405 41.666 42.059 0.021 0.000 0.890 152 L HN 0.498 nan 8.230 nan 0.000 0.433 153 E N 0.260 120.470 120.200 0.016 0.000 2.030 153 E HA -0.107 4.243 4.350 0.000 0.000 0.189 153 E C -0.500 176.090 176.600 -0.017 0.000 0.974 153 E CA 1.011 57.399 56.400 -0.021 0.000 0.807 153 E CB -1.003 28.690 29.700 -0.012 0.000 0.771 153 E HN 0.282 nan 8.360 nan 0.000 0.451 154 P HA -0.167 nan 4.420 nan 0.000 0.215 154 P C 1.796 179.102 177.300 0.010 0.000 1.153 154 P CA 1.036 64.132 63.100 -0.007 0.000 0.853 154 P CB -0.410 31.308 31.700 0.029 0.000 0.788 155 F N 2.616 122.524 119.950 -0.070 0.000 2.011 155 F HA -0.128 4.399 4.527 0.000 0.000 0.296 155 F C -0.736 175.022 175.800 -0.071 0.000 1.144 155 F CA 2.097 60.061 58.000 -0.060 0.000 1.185 155 F CB -2.128 36.843 39.000 -0.048 0.000 0.961 155 F HN -0.021 nan 8.300 nan 0.000 0.485 156 P HA -0.244 nan 4.420 nan 0.000 0.216 156 P C 2.046 179.151 177.300 -0.324 0.000 1.157 156 P CA 2.672 65.554 63.100 -0.363 0.000 0.880 156 P CB -0.233 31.385 31.700 -0.136 0.000 0.791 157 I N -0.759 119.644 120.570 -0.279 0.000 2.091 157 I HA -0.336 3.834 4.170 0.000 0.000 0.239 157 I C 2.388 178.287 176.117 -0.364 0.000 1.061 157 I CA 1.846 62.936 61.300 -0.349 0.000 1.317 157 I CB -1.304 36.373 38.000 -0.539 0.000 1.031 157 I HN -0.064 nan 8.210 nan 0.000 0.401 158 A N 0.888 123.497 122.820 -0.351 0.000 1.849 158 A HA -0.207 4.113 4.320 0.000 0.000 0.217 158 A C 2.464 179.968 177.584 -0.134 0.000 1.202 158 A CA 2.509 54.497 52.037 -0.082 0.000 0.629 158 A CB -1.277 17.713 19.000 -0.016 0.000 0.834 158 A HN 0.254 nan 8.150 nan 0.000 0.447 159 V N -0.786 118.924 119.914 -0.341 0.000 2.332 159 V HA -0.236 3.885 4.120 0.000 0.000 0.248 159 V C 2.513 178.467 176.094 -0.234 0.000 1.055 159 V CA 2.018 64.107 62.300 -0.351 0.000 1.038 159 V CB -0.713 30.719 31.823 -0.653 0.000 0.651 159 V HN 0.378 nan 8.190 nan 0.000 0.450 160 V N -0.573 119.214 119.914 -0.211 0.000 2.453 160 V HA -0.189 3.931 4.120 0.000 0.000 0.247 160 V C 2.525 178.564 176.094 -0.091 0.000 1.048 160 V CA 2.220 64.441 62.300 -0.132 0.000 1.049 160 V CB -0.010 31.769 31.823 -0.074 0.000 0.672 160 V HN 0.586 nan 8.190 nan 0.000 0.457 161 S N -0.744 114.934 115.700 -0.038 0.000 2.423 161 S HA -0.150 4.320 4.470 0.000 0.000 0.231 161 S C 1.878 176.475 174.600 -0.004 0.000 1.014 161 S CA 0.967 59.191 58.200 0.041 0.000 0.965 161 S CB -0.188 63.139 63.200 0.213 0.000 0.785 161 S HN 0.591 nan 8.310 nan 0.000 0.495 162 E N 0.963 121.137 120.200 -0.043 0.000 2.028 162 E HA -0.084 4.266 4.350 0.000 0.000 0.191 162 E C 2.342 178.877 176.600 -0.107 0.000 0.988 162 E CA 0.974 57.339 56.400 -0.058 0.000 0.799 162 E CB -0.580 29.076 29.700 -0.073 0.000 0.755 162 E HN 0.347 nan 8.360 nan 0.000 0.447 163 V N 1.730 121.542 119.914 -0.170 0.000 2.252 163 V HA -0.289 3.832 4.120 0.000 0.000 0.249 163 V C 2.432 178.372 176.094 -0.255 0.000 1.056 163 V CA 1.705 63.843 62.300 -0.269 0.000 1.022 163 V CB -0.515 31.057 31.823 -0.417 0.000 0.641 163 V HN 0.263 nan 8.190 nan 0.000 0.445 164 M N -0.294 119.167 119.600 -0.231 0.000 2.358 164 M HA 0.094 4.574 4.480 0.000 0.000 0.264 164 M C 1.644 177.704 176.300 -0.399 0.000 1.064 164 M CA 1.350 56.414 55.300 -0.393 0.000 1.093 164 M CB -1.511 30.858 32.600 -0.385 0.000 1.401 164 M HN 0.682 nan 8.290 nan 0.000 0.440 165 G N 1.139 109.863 108.800 -0.127 0.000 2.291 165 G HA2 -0.153 3.807 3.960 0.000 0.000 0.271 165 G HA3 -0.153 3.807 3.960 0.000 0.000 0.271 165 G C -0.187 174.849 174.900 0.227 0.000 1.099 165 G CA -0.067 45.047 45.100 0.022 0.000 0.919 165 G HN 0.314 nan 8.290 nan 0.000 0.496 166 V N 1.153 121.213 119.914 0.244 0.000 2.455 166 V HA 0.302 4.422 4.120 0.000 0.000 0.273 166 V C -1.179 175.058 176.094 0.237 0.000 1.045 166 V CA -1.223 61.311 62.300 0.390 0.000 0.976 166 V CB 1.253 33.209 31.823 0.221 0.000 0.993 166 V HN 0.269 nan 8.190 nan 0.000 0.475 167 P HA 0.053 nan 4.420 nan 0.000 0.262 167 P C 0.840 178.191 177.300 0.086 0.000 1.199 167 P CA 0.223 63.423 63.100 0.166 0.000 0.763 167 P CB 0.700 32.515 31.700 0.192 0.000 0.790 168 A N 4.686 127.529 122.820 0.039 0.000 2.131 168 A HA -0.313 4.007 4.320 0.000 0.000 0.224 168 A C 2.037 179.604 177.584 -0.029 0.000 1.172 168 A CA 2.474 54.506 52.037 -0.008 0.000 0.672 168 A CB -1.281 17.717 19.000 -0.003 0.000 0.815 168 A HN 0.565 nan 8.150 nan 0.000 0.477 169 A N -0.948 121.873 122.820 0.001 0.000 1.975 169 A HA 0.057 4.377 4.320 0.000 0.000 0.215 169 A C 1.070 178.629 177.584 -0.041 0.000 1.170 169 A CA 1.128 53.158 52.037 -0.013 0.000 0.656 169 A CB -0.143 18.868 19.000 0.019 0.000 0.821 169 A HN 0.367 nan 8.150 nan 0.000 0.449 170 D N -0.106 120.288 120.400 -0.011 0.000 2.676 170 D HA 0.103 4.743 4.640 0.000 0.000 0.239 170 D C 1.395 177.550 176.300 -0.243 0.000 1.213 170 D CA 0.005 53.957 54.000 -0.080 0.000 0.835 170 D CB 0.110 40.977 40.800 0.112 0.000 1.009 170 D HN 0.233 nan 8.370 nan 0.000 0.479 171 R N 0.219 120.558 120.500 -0.267 0.000 2.048 171 R HA 0.008 4.348 4.340 0.000 0.000 0.224 171 R C 1.817 177.831 176.300 -0.477 0.000 1.163 171 R CA 0.358 56.178 56.100 -0.466 0.000 0.956 171 R CB -0.545 29.521 30.300 -0.389 0.000 0.849 171 R HN 0.175 nan 8.270 nan 0.000 0.435 172 E N 1.713 121.728 120.200 -0.309 0.000 2.267 172 E HA -0.176 4.174 4.350 0.000 0.000 0.197 172 E C 1.843 178.258 176.600 -0.308 0.000 0.998 172 E CA 0.979 57.237 56.400 -0.237 0.000 0.830 172 E CB 0.230 29.827 29.700 -0.173 0.000 0.751 172 E HN 0.357 nan 8.360 nan 0.000 0.491 173 R N -0.780 119.463 120.500 -0.428 0.000 2.074 173 R HA 0.056 4.396 4.340 0.000 0.000 0.218 173 R C 2.380 178.191 176.300 -0.815 0.000 1.137 173 R CA 0.779 56.446 56.100 -0.723 0.000 0.998 173 R CB -0.735 29.087 30.300 -0.796 0.000 0.895 173 R HN -0.081 nan 8.270 nan 0.000 0.442 174 V N 2.053 121.613 119.914 -0.589 0.000 2.343 174 V HA -0.226 3.894 4.120 0.000 0.000 0.247 174 V C 2.296 178.376 176.094 -0.024 0.000 1.051 174 V CA 1.983 64.088 62.300 -0.325 0.000 1.036 174 V CB -0.888 30.679 31.823 -0.426 0.000 0.654 174 V HN 0.420 nan 8.190 nan 0.000 0.451 175 H N -0.906 118.054 119.070 -0.185 0.000 2.387 175 H HA -0.145 4.411 4.556 0.000 0.000 0.299 175 H C 2.598 177.872 175.328 -0.089 0.000 1.090 175 H CA 1.241 57.228 56.048 -0.103 0.000 1.332 175 H CB 0.135 29.837 29.762 -0.099 0.000 1.386 175 H HN 0.426 nan 8.280 nan 0.000 0.516 176 S N 0.070 115.743 115.700 -0.045 0.000 2.436 176 S HA -0.194 4.276 4.470 0.000 0.000 0.215 176 S C 1.828 176.445 174.600 0.028 0.000 1.047 176 S CA 1.253 59.399 58.200 -0.091 0.000 1.086 176 S CB -0.493 62.537 63.200 -0.283 0.000 1.072 176 S HN 0.461 nan 8.310 nan 0.000 0.411 177 W N 1.265 122.549 121.300 -0.027 0.000 2.269 177 W HA -0.194 4.466 4.660 0.001 0.000 0.336 177 W C 2.910 179.427 176.519 -0.004 0.000 1.333 177 W CA 1.729 59.061 57.345 -0.021 0.000 1.299 177 W CB -1.975 27.465 29.460 -0.033 0.000 1.126 177 W HN 0.379 nan 8.180 nan 0.000 0.474 178 T N 0.946 115.661 114.554 0.267 0.000 2.946 178 T HA -0.173 4.177 4.350 0.000 0.000 0.270 178 T C 1.130 175.890 174.700 0.101 0.000 1.129 178 T CA 0.980 63.178 62.100 0.163 0.000 1.103 178 T CB -0.270 68.671 68.868 0.121 0.000 0.839 178 T HN 0.085 nan 8.240 nan 0.000 0.544 179 R N 1.764 122.321 120.500 0.094 0.000 4.394 179 R HA 0.164 4.504 4.340 0.000 0.000 0.257 179 R C 0.914 177.254 176.300 0.067 0.000 1.727 179 R CA -0.093 56.043 56.100 0.060 0.000 1.497 179 R CB 0.038 30.362 30.300 0.040 0.000 1.406 179 R HN 0.613 nan 8.270 nan 0.000 0.745 180 Q N 0.050 119.892 119.800 0.069 0.000 2.302 180 Q HA 0.135 4.475 4.340 0.000 0.000 0.332 180 Q C 0.247 176.269 176.000 0.037 0.000 0.913 180 Q CA -0.188 55.643 55.803 0.048 0.000 1.098 180 Q CB 0.389 29.147 28.738 0.033 0.000 1.236 180 Q HN 0.214 nan 8.270 nan 0.000 0.436 181 I N 1.025 121.623 120.570 0.047 0.000 3.419 181 I HA 0.056 4.226 4.170 0.000 0.000 0.286 181 I C 0.585 176.724 176.117 0.037 0.000 1.268 181 I CA -0.104 61.228 61.300 0.053 0.000 1.414 181 I CB -0.145 37.905 38.000 0.083 0.000 1.074 181 I HN 0.408 nan 8.210 nan 0.000 0.457 182 I N 0.540 121.128 120.570 0.029 0.000 7.316 182 I HA -0.277 3.893 4.170 0.000 0.000 0.126 182 I C 0.558 176.684 176.117 0.015 0.000 1.806 182 I CA -0.145 61.165 61.300 0.017 0.000 2.125 182 I CB -1.790 36.213 38.000 0.005 0.000 3.572 182 I HN 0.158 nan 8.210 nan 0.000 0.196 183 S N 3.077 118.792 115.700 0.025 0.000 3.448 183 S HA -0.015 4.455 4.470 0.000 0.000 0.408 183 S C 1.553 176.155 174.600 0.003 0.000 1.128 183 S CA 1.341 59.554 58.200 0.021 0.000 1.339 183 S CB -0.240 62.977 63.200 0.028 0.000 0.915 183 S HN 0.796 nan 8.310 nan 0.000 0.546 184 T N 2.113 116.660 114.554 -0.012 0.000 11.377 184 T HA -0.253 4.097 4.350 0.000 0.000 0.415 184 T C 0.469 175.162 174.700 -0.012 0.000 1.474 184 T CA 1.641 63.731 62.100 -0.017 0.000 2.441 184 T CB -1.671 67.191 68.868 -0.010 0.000 2.870 184 T HN 1.202 nan 8.240 nan 0.000 0.977 185 S N -1.200 114.496 115.700 -0.006 0.000 2.690 185 S HA 0.485 4.955 4.470 0.000 0.000 0.264 185 S C -0.873 173.727 174.600 -0.000 0.000 1.040 185 S CA 0.451 58.648 58.200 -0.005 0.000 0.869 185 S CB 1.072 64.269 63.200 -0.006 0.000 1.132 185 S HN 2.264 nan 8.310 nan 0.000 0.474 186 G N 0.365 109.164 108.800 -0.001 0.000 3.306 186 G HA2 0.476 4.437 3.960 0.000 0.000 0.672 186 G HA3 0.476 4.437 3.960 0.000 0.000 0.672 186 G C 0.851 175.752 174.900 0.002 0.000 1.212 186 G CA 0.552 45.653 45.100 0.002 0.000 1.150 186 G HN 2.283 nan 8.290 nan 0.000 0.509 187 G N 0.304 109.104 108.800 -0.000 0.000 2.438 187 G HA2 0.248 4.208 3.960 0.000 0.000 0.272 187 G HA3 0.248 4.208 3.960 0.000 0.000 0.272 187 G C 1.132 176.028 174.900 -0.008 0.000 0.991 187 G CA 0.862 45.961 45.100 -0.001 0.000 1.348 187 G HN 2.378 nan 8.290 nan 0.000 0.483 188 A N 0.165 122.976 122.820 -0.015 0.000 2.081 188 A HA 0.589 4.910 4.320 0.000 0.000 0.214 188 A C 2.056 179.622 177.584 -0.030 0.000 1.158 188 A CA 2.006 54.029 52.037 -0.024 0.000 0.724 188 A CB -0.025 18.958 19.000 -0.028 0.000 0.826 188 A HN 1.720 nan 8.150 nan 0.000 0.463 189 E N -0.841 119.344 120.200 -0.025 0.000 2.476 189 E HA 0.556 4.906 4.350 0.000 0.000 0.199 189 E C 1.660 178.246 176.600 -0.024 0.000 1.021 189 E CA 0.936 57.319 56.400 -0.028 0.000 0.907 189 E CB -0.440 29.247 29.700 -0.023 0.000 0.974 189 E HN 0.741 nan 8.360 nan 0.000 0.489 190 A N 0.551 123.362 122.820 -0.015 0.000 1.911 190 A HA 0.542 4.862 4.320 0.000 0.000 0.212 190 A C 2.679 180.258 177.584 -0.007 0.000 1.189 190 A CA 1.350 53.385 52.037 -0.003 0.000 0.639 190 A CB -0.332 18.673 19.000 0.008 0.000 0.839 190 A HN 0.921 nan 8.150 nan 0.000 0.449 191 A N -0.001 122.810 122.820 -0.015 0.000 2.178 191 A HA -0.091 4.229 4.320 0.000 0.000 0.218 191 A C 1.676 179.219 177.584 -0.068 0.000 1.157 191 A CA 1.499 53.522 52.037 -0.024 0.000 0.689 191 A CB -0.320 18.666 19.000 -0.024 0.000 0.787 191 A HN 0.438 nan 8.150 nan 0.000 0.465 192 E N 0.106 120.262 120.200 -0.072 0.000 2.216 192 E HA -0.082 4.268 4.350 0.000 0.000 0.192 192 E C 2.064 178.591 176.600 -0.121 0.000 0.988 192 E CA 0.576 56.912 56.400 -0.107 0.000 0.834 192 E CB -0.251 29.400 29.700 -0.082 0.000 0.772 192 E HN 0.669 nan 8.360 nan 0.000 0.479 193 R N 0.615 121.066 120.500 -0.081 0.000 2.075 193 R HA 0.089 4.429 4.340 0.000 0.000 0.226 193 R C 2.334 178.548 176.300 -0.143 0.000 1.114 193 R CA 1.019 57.072 56.100 -0.077 0.000 0.972 193 R CB -0.288 30.006 30.300 -0.010 0.000 0.869 193 R HN 0.072 nan 8.270 nan 0.000 0.437 194 A N 1.824 124.587 122.820 -0.095 0.000 1.933 194 A HA -0.209 4.111 4.320 0.000 0.000 0.218 194 A C 2.084 179.446 177.584 -0.371 0.000 1.175 194 A CA 1.530 53.475 52.037 -0.152 0.000 0.628 194 A CB -0.321 18.738 19.000 0.099 0.000 0.814 194 A HN 0.224 nan 8.150 nan 0.000 0.444 195 K N -0.616 119.605 120.400 -0.298 0.000 2.217 195 K HA -0.045 4.275 4.320 0.000 0.000 0.202 195 K C 2.063 178.369 176.600 -0.490 0.000 1.051 195 K CA 0.948 56.957 56.287 -0.463 0.000 0.952 195 K CB -0.083 32.144 32.500 -0.455 0.000 0.736 195 K HN 0.414 nan 8.250 nan 0.000 0.453 196 R N -0.942 119.356 120.500 -0.337 0.000 2.173 196 R HA 0.047 4.387 4.340 0.000 0.000 0.208 196 R C 2.210 178.353 176.300 -0.262 0.000 1.035 196 R CA 0.957 56.918 56.100 -0.232 0.000 1.004 196 R CB 0.155 30.360 30.300 -0.157 0.000 0.917 196 R HN 0.289 nan 8.270 nan 0.000 0.462 197 G N 1.182 109.689 108.800 -0.489 0.000 2.408 197 G HA2 -0.152 3.808 3.960 0.000 0.000 0.213 197 G HA3 -0.152 3.808 3.960 0.000 0.000 0.213 197 G C 1.386 175.645 174.900 -1.067 0.000 1.177 197 G CA -0.174 44.480 45.100 -0.744 0.000 0.802 197 G HN 0.125 nan 8.290 nan 0.000 0.533 198 L N -0.746 119.747 121.223 -1.217 0.000 1.994 198 L HA -0.056 4.284 4.340 0.000 0.000 0.208 198 L C 2.667 179.591 176.870 0.090 0.000 1.071 198 L CA 1.475 56.010 54.840 -0.510 0.000 0.745 198 L CB -0.295 41.717 42.059 -0.079 0.000 0.892 198 L HN 0.354 nan 8.230 nan 0.000 0.431 199 Y N -0.346 119.854 120.300 -0.166 0.000 2.224 199 Y HA -0.205 4.345 4.550 -0.000 0.000 0.289 199 Y C 2.507 178.365 175.900 -0.070 0.000 1.146 199 Y CA 0.456 58.519 58.100 -0.062 0.000 1.182 199 Y CB -0.449 37.969 38.460 -0.070 0.000 0.983 199 Y HN 0.352 nan 8.280 nan 0.000 0.524 200 G N -0.352 108.471 108.800 0.039 0.000 2.433 200 G HA2 -0.326 3.634 3.960 0.000 0.000 0.216 200 G HA3 -0.326 3.634 3.960 0.000 0.000 0.216 200 G C 1.278 176.186 174.900 0.012 0.000 1.186 200 G CA 0.780 45.876 45.100 -0.007 0.000 0.779 200 G HN 0.616 nan 8.290 nan 0.000 0.543 201 W N 1.457 122.670 121.300 -0.145 0.000 2.304 201 W HA -0.174 4.486 4.660 0.000 0.000 0.315 201 W C 2.389 178.838 176.519 -0.117 0.000 1.233 201 W CA 1.961 59.278 57.345 -0.046 0.000 1.261 201 W CB -0.205 29.324 29.460 0.115 0.000 1.150 201 W HN 0.201 nan 8.180 nan 0.000 0.494 202 I N -0.211 120.393 120.570 0.056 0.000 2.286 202 I HA -0.333 3.837 4.170 0.000 0.000 0.248 202 I C 2.252 178.133 176.117 -0.393 0.000 1.115 202 I CA 1.770 62.881 61.300 -0.315 0.000 1.392 202 I CB -1.204 36.723 38.000 -0.122 0.000 1.065 202 I HN -0.047 nan 8.210 nan 0.000 0.418 203 T N 0.463 114.882 114.554 -0.225 0.000 2.720 203 T HA -0.192 4.159 4.350 0.000 0.000 0.268 203 T C 1.720 176.281 174.700 -0.233 0.000 1.037 203 T CA 1.494 63.483 62.100 -0.185 0.000 1.144 203 T CB -0.270 68.534 68.868 -0.106 0.000 0.864 203 T HN 0.456 nan 8.240 nan 0.000 0.444 204 E N 0.678 120.705 120.200 -0.288 0.000 2.028 204 E HA -0.097 4.253 4.350 0.000 0.000 0.191 204 E C 2.478 178.845 176.600 -0.388 0.000 0.988 204 E CA 1.384 57.605 56.400 -0.298 0.000 0.799 204 E CB -0.360 29.158 29.700 -0.303 0.000 0.755 204 E HN 0.339 nan 8.360 nan 0.000 0.447 205 T N 0.945 115.104 114.554 -0.657 0.000 2.849 205 T HA -0.114 4.237 4.350 0.000 0.000 0.270 205 T C 1.963 176.438 174.700 -0.375 0.000 1.066 205 T CA 0.929 62.633 62.100 -0.660 0.000 1.130 205 T CB -0.044 68.110 68.868 -1.190 0.000 0.864 205 T HN -0.019 nan 8.240 nan 0.000 0.481 206 V N 0.502 120.221 119.914 -0.324 0.000 2.649 206 V HA 0.029 4.149 4.120 0.000 0.000 0.248 206 V C 2.550 178.570 176.094 -0.123 0.000 1.054 206 V CA 0.954 63.153 62.300 -0.169 0.000 1.073 206 V CB -0.388 31.354 31.823 -0.134 0.000 0.699 206 V HN 0.154 nan 8.190 nan 0.000 0.463 207 R N 1.274 121.689 120.500 -0.142 0.000 2.080 207 R HA 0.060 4.400 4.340 0.000 0.000 0.236 207 R C 1.292 177.539 176.300 -0.088 0.000 1.137 207 R CA 1.248 57.287 56.100 -0.101 0.000 0.943 207 R CB -0.925 29.313 30.300 -0.103 0.000 0.846 207 R HN 0.549 nan 8.270 nan 0.000 0.431 208 A N -0.218 122.536 122.820 -0.110 0.000 2.296 208 A HA 0.418 4.738 4.320 0.000 0.000 0.264 208 A C 0.062 177.603 177.584 -0.072 0.000 1.097 208 A CA 0.161 52.148 52.037 -0.084 0.000 0.811 208 A CB 0.255 19.196 19.000 -0.098 0.000 1.072 208 A HN 0.485 nan 8.150 nan 0.000 0.495 209 R N -1.461 119.014 120.500 -0.043 0.000 3.977 209 R HA -0.260 4.080 4.340 0.000 0.000 0.428 209 R C 1.237 177.527 176.300 -0.017 0.000 1.079 209 R CA 0.930 57.017 56.100 -0.020 0.000 1.269 209 R CB -2.326 27.968 30.300 -0.011 0.000 1.856 209 R HN 1.071 nan 8.270 nan 0.000 0.551 210 A N 0.345 123.148 122.820 -0.028 0.000 2.178 210 A HA 0.084 4.404 4.320 0.000 0.000 0.218 210 A C 1.776 179.352 177.584 -0.013 0.000 1.157 210 A CA 1.698 53.721 52.037 -0.023 0.000 0.689 210 A CB -0.035 18.947 19.000 -0.030 0.000 0.787 210 A HN 0.516 nan 8.150 nan 0.000 0.465 211 G N -1.628 107.166 108.800 -0.011 0.000 3.829 211 G HA2 0.352 4.312 3.960 0.000 0.000 0.279 211 G HA3 0.352 4.312 3.960 0.000 0.000 0.279 211 G C 0.514 175.413 174.900 -0.002 0.000 1.008 211 G CA 0.806 45.903 45.100 -0.006 0.000 0.840 211 G HN 0.380 nan 8.290 nan 0.000 0.474 212 S N -0.124 115.576 115.700 -0.000 0.000 2.502 212 S HA 0.548 5.018 4.470 0.000 0.000 0.251 212 S C -0.074 174.530 174.600 0.008 0.000 1.254 212 S CA 0.138 58.341 58.200 0.005 0.000 0.989 212 S CB 1.130 64.336 63.200 0.010 0.000 1.015 212 S HN 0.300 nan 8.310 nan 0.000 0.529 213 E N -1.449 118.758 120.200 0.011 0.000 2.389 213 E HA 0.462 4.813 4.350 0.000 0.000 0.281 213 E C -0.954 175.652 176.600 0.010 0.000 1.111 213 E CA 0.283 56.689 56.400 0.010 0.000 0.869 213 E CB 0.947 30.651 29.700 0.006 0.000 1.259 213 E HN 1.183 nan 8.360 nan 0.000 0.434 214 G N -0.130 108.674 108.800 0.006 0.000 2.375 214 G HA2 0.219 4.179 3.960 0.000 0.000 0.663 214 G HA3 0.219 4.179 3.960 0.000 0.000 0.663 214 G C 0.478 175.374 174.900 -0.006 0.000 1.391 214 G CA 0.226 45.326 45.100 0.001 0.000 0.949 214 G HN 0.743 nan 8.290 nan 0.000 0.646 215 G N -0.281 108.506 108.800 -0.022 0.000 2.440 215 G HA2 0.009 3.969 3.960 0.000 0.000 0.218 215 G HA3 0.009 3.969 3.960 0.000 0.000 0.218 215 G C 0.852 175.721 174.900 -0.051 0.000 1.154 215 G CA 1.403 46.477 45.100 -0.042 0.000 0.767 215 G HN 1.329 nan 8.290 nan 0.000 0.552 216 D N 0.807 121.180 120.400 -0.044 0.000 4.599 216 D HA -0.068 4.572 4.640 0.000 0.000 0.245 216 D C 1.679 177.954 176.300 -0.041 0.000 1.474 216 D CA 0.212 54.185 54.000 -0.044 0.000 0.960 216 D CB -0.023 40.786 40.800 0.014 0.000 1.280 216 D HN 0.016 nan 8.370 nan 0.000 0.716 217 V N 4.577 124.426 119.914 -0.108 0.000 2.311 217 V HA -0.369 3.752 4.120 0.000 0.000 0.256 217 V C 1.843 177.952 176.094 0.024 0.000 1.077 217 V CA 2.222 64.486 62.300 -0.060 0.000 1.067 217 V CB -0.873 30.893 31.823 -0.095 0.000 0.659 217 V HN 0.679 nan 8.190 nan 0.000 0.451 218 Y N 0.112 120.448 120.300 0.059 0.000 2.070 218 Y HA -0.271 4.279 4.550 0.000 0.000 0.280 218 Y C 2.874 178.770 175.900 -0.006 0.000 1.148 218 Y CA 1.365 59.480 58.100 0.025 0.000 1.125 218 Y CB -0.444 38.031 38.460 0.025 0.000 0.975 218 Y HN 0.225 nan 8.280 nan 0.000 0.492 219 S N 0.371 116.170 115.700 0.166 0.000 2.359 219 S HA -0.296 4.174 4.470 0.000 0.000 0.224 219 S C 1.986 176.619 174.600 0.056 0.000 1.035 219 S CA 1.739 59.986 58.200 0.078 0.000 1.018 219 S CB -0.516 62.717 63.200 0.055 0.000 0.876 219 S HN 0.443 nan 8.310 nan 0.000 0.448 220 M N 0.429 120.061 119.600 0.054 0.000 2.267 220 M HA -0.093 4.387 4.480 0.000 0.000 0.263 220 M C 1.823 178.150 176.300 0.044 0.000 1.063 220 M CA 1.166 56.490 55.300 0.039 0.000 1.090 220 M CB -0.074 32.547 32.600 0.034 0.000 1.392 220 M HN 0.283 nan 8.290 nan 0.000 0.422 221 L N -0.243 121.020 121.223 0.066 0.000 2.013 221 L HA 0.165 4.506 4.340 0.000 0.000 0.204 221 L C 2.397 179.287 176.870 0.034 0.000 1.081 221 L CA 2.124 56.999 54.840 0.059 0.000 0.751 221 L CB -1.345 40.773 42.059 0.097 0.000 0.901 221 L HN 0.326 nan 8.230 nan 0.000 0.440 222 G N -0.665 108.154 108.800 0.032 0.000 2.596 222 G HA2 -0.405 3.555 3.960 0.000 0.000 0.223 222 G HA3 -0.405 3.555 3.960 0.000 0.000 0.223 222 G C 1.573 176.474 174.900 0.002 0.000 1.120 222 G CA 1.308 46.409 45.100 0.002 0.000 0.752 222 G HN 0.668 nan 8.290 nan 0.000 0.596 223 A N 1.216 124.043 122.820 0.011 0.000 1.859 223 A HA 0.144 4.464 4.320 0.000 0.000 0.217 223 A C 2.893 180.480 177.584 0.004 0.000 1.198 223 A CA 2.911 54.952 52.037 0.007 0.000 0.629 223 A CB -1.082 17.925 19.000 0.011 0.000 0.830 223 A HN 1.074 nan 8.150 nan 0.000 0.446 224 A N -0.871 121.954 122.820 0.008 0.000 1.969 224 A HA 0.065 4.385 4.320 0.000 0.000 0.218 224 A C 2.205 179.789 177.584 0.001 0.000 1.169 224 A CA 1.701 53.741 52.037 0.005 0.000 0.635 224 A CB -0.864 18.141 19.000 0.008 0.000 0.810 224 A HN 0.438 nan 8.150 nan 0.000 0.445 225 V N -0.015 119.899 119.914 -0.001 0.000 2.343 225 V HA -0.173 3.947 4.120 0.000 0.000 0.247 225 V C 2.671 178.758 176.094 -0.010 0.000 1.051 225 V CA 1.812 64.107 62.300 -0.008 0.000 1.036 225 V CB -1.459 30.355 31.823 -0.014 0.000 0.654 225 V HN 0.597 nan 8.190 nan 0.000 0.451 226 G N -0.390 108.404 108.800 -0.010 0.000 2.653 226 G HA2 -0.150 3.811 3.960 0.000 0.000 0.212 226 G HA3 -0.150 3.811 3.960 0.000 0.000 0.212 226 G C 1.372 176.267 174.900 -0.007 0.000 1.138 226 G CA 0.217 45.311 45.100 -0.011 0.000 0.782 226 G HN 0.531 nan 8.290 nan 0.000 0.535 227 R N -1.162 119.335 120.500 -0.005 0.000 2.566 227 R HA 0.239 4.579 4.340 0.000 0.000 0.388 227 R C 1.458 177.756 176.300 -0.003 0.000 0.989 227 R CA 0.180 56.278 56.100 -0.003 0.000 1.164 227 R CB 0.679 30.978 30.300 -0.001 0.000 1.459 227 R HN 0.186 nan 8.270 nan 0.000 0.553 228 G N 2.058 110.856 108.800 -0.004 0.000 2.269 228 G HA2 -0.344 3.617 3.960 0.000 0.000 0.277 228 G HA3 -0.344 3.617 3.960 0.000 0.000 0.277 228 G C 0.586 175.485 174.900 -0.001 0.000 1.008 228 G CA 0.956 46.054 45.100 -0.004 0.000 0.774 228 G HN 0.504 nan 8.290 nan 0.000 0.511 229 E N -1.003 119.197 120.200 -0.000 0.000 2.418 229 E HA 0.113 4.463 4.350 0.000 0.000 0.197 229 E C 2.260 178.861 176.600 0.001 0.000 1.026 229 E CA 1.300 57.701 56.400 0.001 0.000 0.862 229 E CB 0.057 29.758 29.700 0.002 0.000 0.799 229 E HN 1.092 nan 8.360 nan 0.000 0.518 230 V N -5.154 114.760 119.914 0.000 0.000 3.283 230 V HA 0.362 4.482 4.120 0.000 0.000 0.265 230 V C 0.694 176.787 176.094 -0.003 0.000 1.672 230 V CA 0.002 62.302 62.300 -0.000 0.000 1.020 230 V CB 0.040 31.863 31.823 -0.000 0.000 0.854 230 V HN 0.123 nan 8.190 nan 0.000 0.408 231 G N 1.475 110.272 108.800 -0.005 0.000 2.967 231 G HA2 -0.189 3.771 3.960 0.000 0.000 0.684 231 G HA3 -0.189 3.771 3.960 0.000 0.000 0.684 231 G C -0.035 174.857 174.900 -0.015 0.000 1.596 231 G CA 0.511 45.605 45.100 -0.010 0.000 1.102 231 G HN 0.758 nan 8.290 nan 0.000 0.596 232 E N -0.122 120.065 120.200 -0.021 0.000 3.787 232 E HA 0.150 4.500 4.350 0.000 0.000 0.418 232 E C 2.019 178.602 176.600 -0.027 0.000 1.529 232 E CA 1.194 57.576 56.400 -0.029 0.000 2.366 232 E CB -0.090 29.589 29.700 -0.035 0.000 1.118 232 E HN 1.159 nan 8.360 nan 0.000 0.671 233 T N 0.083 114.618 114.554 -0.032 0.000 13.322 233 T HA -0.336 4.014 4.350 0.000 0.000 0.419 233 T C 1.336 176.018 174.700 -0.030 0.000 1.441 233 T CA 2.138 64.221 62.100 -0.027 0.000 2.359 233 T CB -1.357 67.500 68.868 -0.018 0.000 2.804 233 T HN 0.664 nan 8.240 nan 0.000 0.600 234 E N 1.801 121.988 120.200 -0.021 0.000 2.219 234 E HA -0.098 4.252 4.350 0.000 0.000 0.198 234 E C 2.451 179.035 176.600 -0.027 0.000 0.998 234 E CA 1.071 57.462 56.400 -0.016 0.000 0.818 234 E CB -0.317 29.381 29.700 -0.004 0.000 0.741 234 E HN 0.706 nan 8.360 nan 0.000 0.477 235 A N 1.058 123.858 122.820 -0.033 0.000 1.841 235 A HA -0.203 4.117 4.320 0.000 0.000 0.216 235 A C 2.526 180.067 177.584 -0.071 0.000 1.199 235 A CA 1.723 53.739 52.037 -0.035 0.000 0.621 235 A CB -0.941 18.034 19.000 -0.042 0.000 0.835 235 A HN 0.150 nan 8.150 nan 0.000 0.445 236 V N -0.097 119.742 119.914 -0.124 0.000 2.546 236 V HA -0.195 3.925 4.120 0.000 0.000 0.254 236 V C 2.522 178.390 176.094 -0.377 0.000 1.076 236 V CA 1.938 64.079 62.300 -0.266 0.000 1.087 236 V CB -1.331 30.350 31.823 -0.237 0.000 0.674 236 V HN 0.673 nan 8.190 nan 0.000 0.470 237 G N -1.496 107.199 108.800 -0.175 0.000 2.662 237 G HA2 -0.000 3.960 3.960 0.000 0.000 0.212 237 G HA3 -0.000 3.960 3.960 0.000 0.000 0.212 237 G C 1.473 176.347 174.900 -0.044 0.000 1.141 237 G CA 0.088 45.128 45.100 -0.100 0.000 0.797 237 G HN 0.425 nan 8.290 nan 0.000 0.531 238 L N 0.368 121.570 121.223 -0.035 0.000 2.131 238 L HA 0.167 4.507 4.340 0.000 0.000 0.206 238 L C 2.847 179.718 176.870 0.002 0.000 1.087 238 L CA 1.295 56.131 54.840 -0.007 0.000 0.767 238 L CB -0.026 42.031 42.059 -0.003 0.000 0.917 238 L HN 0.299 nan 8.230 nan 0.000 0.441 239 A N -0.980 121.850 122.820 0.017 0.000 2.238 239 A HA 0.157 4.478 4.320 0.000 0.000 0.210 239 A C 2.070 179.691 177.584 0.062 0.000 1.179 239 A CA 0.657 52.748 52.037 0.091 0.000 0.827 239 A CB -0.459 18.699 19.000 0.263 0.000 0.856 239 A HN 0.446 nan 8.150 nan 0.000 0.488 240 G N 1.493 110.244 108.800 -0.081 0.000 2.545 240 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 240 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 240 G C -0.215 174.766 174.900 0.136 0.000 1.218 240 G CA 1.490 46.528 45.100 -0.104 0.000 0.787 240 G HN 0.453 nan 8.290 nan 0.000 0.571 241 P HA -0.083 nan 4.420 nan 0.000 0.213 241 P C 2.192 179.555 177.300 0.104 0.000 1.170 241 P CA 0.929 64.101 63.100 0.119 0.000 0.902 241 P CB -0.228 31.526 31.700 0.090 0.000 0.789 242 L N -1.040 120.229 121.223 0.077 0.000 1.965 242 L HA -0.327 4.013 4.340 0.000 0.000 0.226 242 L C 2.706 179.656 176.870 0.134 0.000 1.083 242 L CA 1.868 56.767 54.840 0.097 0.000 0.790 242 L CB -1.559 40.565 42.059 0.109 0.000 0.898 242 L HN -0.003 nan 8.230 nan 0.000 0.439 243 Q N 0.376 120.271 119.800 0.158 0.000 2.103 243 Q HA -0.257 4.083 4.340 0.000 0.000 0.213 243 Q C 1.933 178.013 176.000 0.133 0.000 1.008 243 Q CA 2.236 58.145 55.803 0.176 0.000 0.879 243 Q CB -0.367 28.534 28.738 0.272 0.000 0.946 243 Q HN 0.442 nan 8.270 nan 0.000 0.413 244 I N -0.276 120.381 120.570 0.144 0.000 2.546 244 I HA -0.059 4.111 4.170 0.000 0.000 0.255 244 I C 2.204 178.369 176.117 0.080 0.000 1.163 244 I CA 1.224 62.591 61.300 0.113 0.000 1.457 244 I CB -2.056 36.023 38.000 0.133 0.000 1.092 244 I HN 0.392 nan 8.210 nan 0.000 0.434 245 G N 1.606 110.458 108.800 0.087 0.000 2.661 245 G HA2 -0.339 3.621 3.960 0.000 0.000 0.224 245 G HA3 -0.339 3.621 3.960 0.000 0.000 0.224 245 G C 1.761 176.694 174.900 0.055 0.000 1.114 245 G CA 1.308 46.455 45.100 0.077 0.000 0.751 245 G HN 0.468 nan 8.290 nan 0.000 0.609 246 G N 1.637 110.449 108.800 0.020 0.000 2.599 246 G HA2 -0.341 3.619 3.960 0.000 0.000 0.219 246 G HA3 -0.341 3.619 3.960 0.000 0.000 0.219 246 G C 1.522 176.398 174.900 -0.039 0.000 1.193 246 G CA 1.732 46.816 45.100 -0.027 0.000 0.778 246 G HN 0.742 nan 8.290 nan 0.000 0.589 247 E N 0.833 120.999 120.200 -0.056 0.000 2.197 247 E HA -0.213 4.138 4.350 0.000 0.000 0.205 247 E C 2.509 179.026 176.600 -0.139 0.000 1.029 247 E CA 1.754 58.061 56.400 -0.154 0.000 0.828 247 E CB -0.725 28.954 29.700 -0.035 0.000 0.737 247 E HN 0.434 nan 8.360 nan 0.000 0.464 248 A N 1.160 124.019 122.820 0.066 0.000 1.917 248 A HA -0.181 4.139 4.320 0.000 0.000 0.219 248 A C 2.553 180.265 177.584 0.214 0.000 1.182 248 A CA 1.918 54.095 52.037 0.233 0.000 0.633 248 A CB -0.821 18.340 19.000 0.269 0.000 0.819 248 A HN 0.241 nan 8.150 nan 0.000 0.448 249 V N -0.744 119.223 119.914 0.087 0.000 2.453 249 V HA -0.167 3.953 4.120 0.000 0.000 0.247 249 V C 2.650 178.768 176.094 0.041 0.000 1.048 249 V CA 2.260 64.607 62.300 0.079 0.000 1.049 249 V CB -1.039 30.824 31.823 0.066 0.000 0.672 249 V HN 0.597 nan 8.190 nan 0.000 0.457 250 T N -0.902 113.603 114.554 -0.082 0.000 2.849 250 T HA -0.174 4.176 4.350 0.000 0.000 0.270 250 T C 1.649 176.257 174.700 -0.154 0.000 1.066 250 T CA 1.514 63.513 62.100 -0.170 0.000 1.130 250 T CB -0.256 68.408 68.868 -0.340 0.000 0.864 250 T HN 0.578 nan 8.240 nan 0.000 0.481 251 H N -0.438 118.702 119.070 0.117 0.000 2.557 251 H HA 0.271 4.827 4.556 0.000 0.000 0.281 251 H C 2.268 177.703 175.328 0.178 0.000 0.990 251 H CA 0.448 56.565 56.048 0.115 0.000 1.278 251 H CB -0.365 29.445 29.762 0.081 0.000 1.451 251 H HN 0.268 nan 8.280 nan 0.000 0.516 252 N N 1.015 119.921 118.700 0.343 0.000 2.106 252 N HA -0.118 4.622 4.740 0.000 0.000 0.188 252 N C 1.861 177.480 175.510 0.183 0.000 1.029 252 N CA 1.293 54.512 53.050 0.281 0.000 0.848 252 N CB -0.057 38.504 38.487 0.123 0.000 1.007 252 N HN -0.054 nan 8.380 nan 0.000 0.423 253 V N 0.115 120.112 119.914 0.138 0.000 2.358 253 V HA -0.093 4.028 4.120 0.000 0.000 0.246 253 V C 2.362 178.524 176.094 0.113 0.000 1.047 253 V CA 1.865 64.229 62.300 0.106 0.000 1.035 253 V CB -1.370 30.502 31.823 0.081 0.000 0.658 253 V HN 0.510 nan 8.190 nan 0.000 0.452 254 G N -1.090 107.782 108.800 0.120 0.000 2.507 254 G HA2 -0.309 3.651 3.960 0.000 0.000 0.221 254 G HA3 -0.309 3.651 3.960 0.000 0.000 0.221 254 G C 1.529 176.506 174.900 0.128 0.000 1.119 254 G CA 0.963 46.125 45.100 0.102 0.000 0.751 254 G HN 0.543 nan 8.290 nan 0.000 0.574 255 Q N -0.779 119.137 119.800 0.193 0.000 2.096 255 Q HA 0.112 4.452 4.340 0.000 0.000 0.197 255 Q C 2.789 178.962 176.000 0.288 0.000 0.964 255 Q CA 0.676 56.651 55.803 0.286 0.000 0.838 255 Q CB -0.167 28.782 28.738 0.350 0.000 0.906 255 Q HN 0.499 nan 8.270 nan 0.000 0.444 256 M N 0.558 120.278 119.600 0.200 0.000 2.073 256 M HA -0.247 4.233 4.480 0.000 0.000 0.258 256 M C 2.223 178.594 176.300 0.119 0.000 1.070 256 M CA 1.641 57.027 55.300 0.144 0.000 1.103 256 M CB -0.503 32.154 32.600 0.094 0.000 1.321 256 M HN 0.221 nan 8.290 nan 0.000 0.405 257 L N -1.542 119.743 121.223 0.103 0.000 1.989 257 L HA -0.255 4.085 4.340 0.000 0.000 0.211 257 L C 2.597 179.511 176.870 0.074 0.000 1.071 257 L CA 1.687 56.564 54.840 0.062 0.000 0.749 257 L CB -1.119 40.966 42.059 0.043 0.000 0.890 257 L HN 0.245 nan 8.230 nan 0.000 0.431 258 Y N 1.090 121.410 120.300 0.032 0.000 2.030 258 Y HA -0.334 4.216 4.550 0.001 0.000 0.272 258 Y C 2.488 178.437 175.900 0.081 0.000 1.185 258 Y CA 1.928 60.055 58.100 0.046 0.000 1.120 258 Y CB -0.389 38.115 38.460 0.072 0.000 0.955 258 Y HN 0.005 nan 8.280 nan 0.000 0.495 259 L N -0.939 120.437 121.223 0.255 0.000 2.265 259 L HA -0.232 4.108 4.340 0.000 0.000 0.215 259 L C 2.123 178.982 176.870 -0.019 0.000 1.117 259 L CA 0.475 55.389 54.840 0.124 0.000 0.782 259 L CB -0.481 41.648 42.059 0.117 0.000 0.914 259 L HN 0.305 nan 8.230 nan 0.000 0.441 260 L N -0.673 120.537 121.223 -0.022 0.000 2.095 260 L HA -0.083 4.257 4.340 0.000 0.000 0.204 260 L C 2.137 178.960 176.870 -0.079 0.000 1.080 260 L CA 1.577 56.389 54.840 -0.046 0.000 0.759 260 L CB -0.492 41.551 42.059 -0.026 0.000 0.914 260 L HN 0.155 nan 8.230 nan 0.000 0.439 261 L N -1.239 119.913 121.223 -0.117 0.000 2.552 261 L HA -0.050 4.290 4.340 0.000 0.000 0.227 261 L C 1.818 178.575 176.870 -0.189 0.000 1.146 261 L CA 1.188 55.941 54.840 -0.145 0.000 0.858 261 L CB -0.791 41.174 42.059 -0.156 0.000 0.969 261 L HN 0.444 nan 8.230 nan 0.000 0.451 262 T N -4.713 109.710 114.554 -0.219 0.000 2.989 262 T HA 0.128 4.478 4.350 0.000 0.000 0.250 262 T C 1.034 175.679 174.700 -0.091 0.000 0.981 262 T CA -0.389 61.602 62.100 -0.181 0.000 0.980 262 T CB 0.224 68.934 68.868 -0.264 0.000 1.133 262 T HN 0.057 nan 8.240 nan 0.000 0.489 263 R N 1.819 122.269 120.500 -0.083 0.000 2.280 263 R HA 0.492 4.832 4.340 0.000 0.000 0.326 263 R C 1.433 177.696 176.300 -0.062 0.000 1.080 263 R CA -0.437 55.625 56.100 -0.063 0.000 1.002 263 R CB 0.940 31.194 30.300 -0.077 0.000 1.136 263 R HN 0.267 nan 8.270 nan 0.000 0.509 264 R N 2.806 123.276 120.500 -0.050 0.000 2.073 264 R HA -0.209 4.131 4.340 0.000 0.000 0.234 264 R C 1.407 177.683 176.300 -0.039 0.000 1.134 264 R CA 2.250 58.325 56.100 -0.041 0.000 0.952 264 R CB 0.135 30.417 30.300 -0.030 0.000 0.850 264 R HN 0.708 nan 8.270 nan 0.000 0.433 265 E N 0.534 120.710 120.200 -0.041 0.000 2.187 265 E HA -0.261 4.089 4.350 0.000 0.000 0.199 265 E C 1.987 178.559 176.600 -0.047 0.000 1.004 265 E CA 1.552 57.928 56.400 -0.040 0.000 0.813 265 E CB -0.503 29.171 29.700 -0.043 0.000 0.736 265 E HN 0.424 nan 8.360 nan 0.000 0.468 266 L N -0.045 121.142 121.223 -0.060 0.000 1.961 266 L HA -0.153 4.188 4.340 0.000 0.000 0.209 266 L C 2.861 179.704 176.870 -0.045 0.000 1.075 266 L CA 1.445 56.248 54.840 -0.063 0.000 0.749 266 L CB -0.487 41.523 42.059 -0.080 0.000 0.890 266 L HN 0.198 nan 8.230 nan 0.000 0.433 267 M N 0.345 119.919 119.600 -0.043 0.000 2.192 267 M HA -0.242 4.238 4.480 0.000 0.000 0.256 267 M C 2.056 178.340 176.300 -0.026 0.000 1.076 267 M CA 2.044 57.324 55.300 -0.034 0.000 1.075 267 M CB -0.453 32.125 32.600 -0.037 0.000 1.368 267 M HN 0.277 nan 8.290 nan 0.000 0.406 268 A N -0.271 122.534 122.820 -0.026 0.000 1.854 268 A HA -0.143 4.178 4.320 0.000 0.000 0.214 268 A C 2.173 179.747 177.584 -0.016 0.000 1.192 268 A CA 1.885 53.911 52.037 -0.018 0.000 0.611 268 A CB -0.726 18.264 19.000 -0.018 0.000 0.832 268 A HN 0.578 nan 8.150 nan 0.000 0.442 269 R N -0.994 119.494 120.500 -0.021 0.000 2.096 269 R HA -0.171 4.169 4.340 0.000 0.000 0.240 269 R C 1.984 178.275 176.300 -0.014 0.000 1.139 269 R CA 2.310 58.400 56.100 -0.017 0.000 0.952 269 R CB -0.580 29.706 30.300 -0.023 0.000 0.854 269 R HN 0.391 nan 8.270 nan 0.000 0.436 270 M N 0.300 119.890 119.600 -0.018 0.000 2.065 270 M HA -0.102 4.378 4.480 0.000 0.000 0.259 270 M C 2.206 178.499 176.300 -0.012 0.000 1.069 270 M CA 1.936 57.227 55.300 -0.015 0.000 1.110 270 M CB -0.172 32.417 32.600 -0.019 0.000 1.328 270 M HN 0.126 nan 8.290 nan 0.000 0.405 271 R N -0.697 119.795 120.500 -0.013 0.000 2.092 271 R HA -0.098 4.242 4.340 0.000 0.000 0.231 271 R C 1.497 177.794 176.300 -0.005 0.000 1.119 271 R CA 1.428 57.522 56.100 -0.009 0.000 0.970 271 R CB -0.261 30.034 30.300 -0.008 0.000 0.864 271 R HN 0.489 nan 8.270 nan 0.000 0.440 272 E N -0.042 120.156 120.200 -0.004 0.000 2.476 272 E HA 0.041 4.391 4.350 0.000 0.000 0.191 272 E C 0.026 176.625 176.600 -0.001 0.000 1.064 272 E CA 0.208 56.608 56.400 -0.002 0.000 0.866 272 E CB 0.456 30.155 29.700 -0.002 0.000 0.952 272 E HN 0.086 nan 8.360 nan 0.000 0.492 273 R N 0.414 120.913 120.500 -0.002 0.000 2.533 273 R HA 0.181 4.522 4.340 0.000 0.000 0.268 273 R C -2.691 173.609 176.300 0.001 0.000 1.303 273 R CA -1.216 54.884 56.100 0.000 0.000 1.429 273 R CB 0.779 31.079 30.300 0.000 0.000 1.361 273 R HN 0.045 nan 8.270 nan 0.000 0.745 274 P HA 0.049 nan 4.420 nan 0.000 0.274 274 P C 1.027 178.329 177.300 0.003 0.000 1.264 274 P CA 0.792 63.892 63.100 -0.001 0.000 0.795 274 P CB 0.604 32.302 31.700 -0.003 0.000 1.064 275 G N -0.673 108.130 108.800 0.004 0.000 2.328 275 G HA2 -0.278 3.682 3.960 0.000 0.000 0.256 275 G HA3 -0.278 3.682 3.960 0.000 0.000 0.256 275 G C 0.674 175.581 174.900 0.012 0.000 1.014 275 G CA 0.358 45.463 45.100 0.008 0.000 0.620 275 G HN 0.844 nan 8.290 nan 0.000 0.530 276 A N -0.288 122.539 122.820 0.011 0.000 2.676 276 A HA 0.658 4.978 4.320 0.000 0.000 0.297 276 A C 1.441 179.033 177.584 0.014 0.000 1.132 276 A CA 0.629 52.674 52.037 0.014 0.000 0.972 276 A CB 0.061 19.068 19.000 0.012 0.000 1.197 276 A HN 0.371 nan 8.150 nan 0.000 0.524 277 R N -0.603 119.906 120.500 0.015 0.000 2.297 277 R HA 0.056 4.396 4.340 0.000 0.000 0.197 277 R C 2.079 178.395 176.300 0.026 0.000 0.943 277 R CA 0.693 56.802 56.100 0.015 0.000 1.038 277 R CB 0.146 30.452 30.300 0.010 0.000 0.957 277 R HN 0.509 nan 8.270 nan 0.000 0.484 278 G N 1.103 109.924 108.800 0.034 0.000 2.433 278 G HA2 -0.300 3.661 3.960 0.000 0.000 0.216 278 G HA3 -0.300 3.661 3.960 0.000 0.000 0.216 278 G C 1.538 176.471 174.900 0.056 0.000 1.186 278 G CA 1.439 46.570 45.100 0.051 0.000 0.779 278 G HN 0.358 nan 8.290 nan 0.000 0.543 279 T N 0.782 115.364 114.554 0.048 0.000 2.635 279 T HA -0.070 4.281 4.350 0.000 0.000 0.267 279 T C 2.635 177.355 174.700 0.034 0.000 1.040 279 T CA 2.207 64.336 62.100 0.049 0.000 1.156 279 T CB -0.807 68.084 68.868 0.039 0.000 0.863 279 T HN 0.427 nan 8.240 nan 0.000 0.430 280 A N 1.768 124.600 122.820 0.020 0.000 1.917 280 A HA 0.018 4.339 4.320 0.000 0.000 0.219 280 A C 2.499 180.086 177.584 0.006 0.000 1.182 280 A CA 1.663 53.702 52.037 0.003 0.000 0.633 280 A CB -1.068 17.930 19.000 -0.002 0.000 0.819 280 A HN 0.567 nan 8.150 nan 0.000 0.448 281 L N -0.781 120.455 121.223 0.022 0.000 2.201 281 L HA -0.145 4.195 4.340 0.000 0.000 0.212 281 L C 1.911 178.793 176.870 0.020 0.000 1.105 281 L CA 1.066 55.923 54.840 0.028 0.000 0.775 281 L CB -0.544 41.545 42.059 0.049 0.000 0.913 281 L HN 0.383 nan 8.230 nan 0.000 0.440 282 D N -0.117 120.307 120.400 0.039 0.000 2.085 282 D HA -0.190 4.450 4.640 0.000 0.000 0.199 282 D C 1.963 178.230 176.300 -0.055 0.000 0.981 282 D CA 1.020 55.048 54.000 0.047 0.000 0.834 282 D CB 0.061 40.942 40.800 0.135 0.000 0.992 282 D HN 0.161 nan 8.370 nan 0.000 0.457 283 E N 1.138 121.324 120.200 -0.023 0.000 2.070 283 E HA -0.150 4.200 4.350 0.000 0.000 0.197 283 E C 2.311 178.889 176.600 -0.037 0.000 1.004 283 E CA 0.758 57.131 56.400 -0.045 0.000 0.805 283 E CB -0.436 29.244 29.700 -0.034 0.000 0.744 283 E HN 0.188 nan 8.360 nan 0.000 0.451 284 L N -0.058 121.149 121.223 -0.026 0.000 2.042 284 L HA -0.221 4.119 4.340 0.000 0.000 0.210 284 L C 2.589 179.461 176.870 0.004 0.000 1.076 284 L CA 1.271 56.123 54.840 0.020 0.000 0.749 284 L CB -0.526 41.546 42.059 0.021 0.000 0.893 284 L HN 0.313 nan 8.230 nan 0.000 0.432 285 L N -0.498 120.639 121.223 -0.144 0.000 2.046 285 L HA -0.250 4.091 4.340 0.000 0.000 0.208 285 L C 2.876 179.502 176.870 -0.407 0.000 1.077 285 L CA 1.276 55.918 54.840 -0.331 0.000 0.747 285 L CB -0.420 41.291 42.059 -0.581 0.000 0.896 285 L HN 0.311 nan 8.230 nan 0.000 0.432 286 R N -0.965 119.279 120.500 -0.425 0.000 2.115 286 R HA -0.224 4.116 4.340 0.000 0.000 0.230 286 R C 2.162 178.437 176.300 -0.041 0.000 1.111 286 R CA 1.562 57.492 56.100 -0.284 0.000 0.976 286 R CB -0.293 29.814 30.300 -0.322 0.000 0.870 286 R HN 0.361 nan 8.270 nan 0.000 0.445 287 W N 1.307 122.532 121.300 -0.125 0.000 2.452 287 W HA 0.140 4.800 4.660 0.001 0.000 0.313 287 W C 0.327 176.881 176.519 0.058 0.000 1.176 287 W CA 0.505 57.841 57.345 -0.014 0.000 1.350 287 W CB -0.170 29.282 29.460 -0.014 0.000 1.148 287 W HN -0.155 nan 8.180 nan 0.000 0.498 288 I N 2.564 123.322 120.570 0.314 0.000 2.989 288 I HA -0.215 3.955 4.170 0.000 0.000 0.311 288 I C 0.375 176.505 176.117 0.021 0.000 1.221 288 I CA 0.796 62.213 61.300 0.194 0.000 1.449 288 I CB 0.016 38.149 38.000 0.223 0.000 1.325 288 I HN -0.131 nan 8.210 nan 0.000 0.557 289 S N 5.674 121.335 115.700 -0.064 0.000 2.642 289 S HA 0.073 4.544 4.470 0.000 0.000 0.309 289 S C 0.864 175.460 174.600 -0.007 0.000 1.125 289 S CA -0.485 57.647 58.200 -0.114 0.000 1.055 289 S CB 0.126 63.151 63.200 -0.292 0.000 1.157 289 S HN 0.580 nan 8.310 nan 0.000 0.513 290 H N 3.718 122.758 119.070 -0.050 0.000 2.387 290 H HA -0.039 4.517 4.556 0.000 0.000 0.299 290 H C 1.099 176.412 175.328 -0.025 0.000 1.090 290 H CA 1.610 57.653 56.048 -0.009 0.000 1.332 290 H CB 0.335 30.095 29.762 -0.004 0.000 1.386 290 H HN 0.604 nan 8.280 nan 0.000 0.516 291 R N -1.409 119.034 120.500 -0.095 0.000 2.923 291 R HA 0.292 4.632 4.340 0.000 0.000 0.252 291 R C 1.024 177.207 176.300 -0.195 0.000 1.130 291 R CA 0.056 56.049 56.100 -0.179 0.000 1.043 291 R CB 0.420 30.645 30.300 -0.125 0.000 1.205 291 R HN 0.142 nan 8.270 nan 0.000 0.495 292 T N -3.008 111.412 114.554 -0.224 0.000 3.043 292 T HA 0.041 4.391 4.350 0.000 0.000 0.263 292 T C 0.897 175.375 174.700 -0.369 0.000 1.094 292 T CA 0.780 62.719 62.100 -0.268 0.000 1.127 292 T CB 0.009 68.724 68.868 -0.255 0.000 0.905 292 T HN 0.529 nan 8.240 nan 0.000 0.490 293 S N -0.481 114.997 115.700 -0.371 0.000 2.755 293 S HA 0.532 5.002 4.470 0.000 0.000 0.286 293 S C -0.937 173.458 174.600 -0.341 0.000 1.207 293 S CA -0.338 57.539 58.200 -0.538 0.000 0.892 293 S CB 0.781 63.450 63.200 -0.884 0.000 1.240 293 S HN 0.781 nan 8.310 nan 0.000 0.525 294 V N 1.432 121.110 119.914 -0.392 0.000 3.096 294 V HA 0.742 4.862 4.120 0.000 0.000 0.306 294 V C 1.286 177.233 176.094 -0.246 0.000 1.088 294 V CA 0.542 62.686 62.300 -0.260 0.000 1.129 294 V CB -0.292 31.326 31.823 -0.341 0.000 1.014 294 V HN 1.069 nan 8.190 nan 0.000 0.486 295 G N 1.668 110.421 108.800 -0.080 0.000 2.783 295 G HA2 0.470 4.430 3.960 0.000 0.000 0.182 295 G HA3 0.470 4.430 3.960 0.000 0.000 0.182 295 G C -0.219 174.723 174.900 0.070 0.000 1.516 295 G CA -0.870 44.218 45.100 -0.021 0.000 1.079 295 G HN 0.682 nan 8.290 nan 0.000 0.573 296 L N 0.402 121.632 121.223 0.013 0.000 2.476 296 L HA 0.494 4.834 4.340 0.000 0.000 0.264 296 L C 1.162 178.081 176.870 0.081 0.000 1.224 296 L CA -0.079 54.752 54.840 -0.015 0.000 0.821 296 L CB 0.284 42.136 42.059 -0.346 0.000 1.101 296 L HN 0.613 nan 8.230 nan 0.000 0.488 297 A N 2.186 124.973 122.820 -0.056 0.000 2.326 297 A HA 0.861 5.181 4.320 0.000 0.000 0.303 297 A C -0.159 177.295 177.584 -0.216 0.000 1.164 297 A CA -0.552 51.295 52.037 -0.317 0.000 0.929 297 A CB 0.756 19.219 19.000 -0.894 0.000 1.363 297 A HN 0.662 nan 8.150 nan 0.000 0.498 298 R N -0.491 119.897 120.500 -0.187 0.000 2.750 298 R HA 0.536 4.876 4.340 0.000 0.000 0.281 298 R C -1.337 174.983 176.300 0.033 0.000 0.972 298 R CA -0.740 55.333 56.100 -0.044 0.000 0.912 298 R CB 1.650 31.947 30.300 -0.005 0.000 1.187 298 R HN 0.527 nan 8.270 nan 0.000 0.464 299 I N 1.733 122.354 120.570 0.084 0.000 2.392 299 I HA 0.296 4.466 4.170 0.000 0.000 0.295 299 I C 0.548 176.733 176.117 0.113 0.000 0.985 299 I CA -0.911 60.433 61.300 0.073 0.000 1.221 299 I CB 1.427 39.438 38.000 0.018 0.000 1.366 299 I HN 0.704 nan 8.210 nan 0.000 0.467 300 A N 6.923 129.783 122.820 0.067 0.000 2.545 300 A HA 0.288 4.608 4.320 0.000 0.000 0.297 300 A C 1.312 178.796 177.584 -0.167 0.000 1.340 300 A CA -0.238 51.703 52.037 -0.161 0.000 1.016 300 A CB -0.229 18.705 19.000 -0.111 0.000 1.122 300 A HN 0.833 nan 8.150 nan 0.000 0.537 301 L N 1.641 122.742 121.223 -0.203 0.000 2.042 301 L HA -0.172 4.168 4.340 0.000 0.000 0.210 301 L C 2.196 178.991 176.870 -0.125 0.000 1.076 301 L CA 2.143 56.908 54.840 -0.125 0.000 0.749 301 L CB -0.226 41.771 42.059 -0.102 0.000 0.893 301 L HN 0.976 nan 8.230 nan 0.000 0.432 302 E N -0.694 119.399 120.200 -0.179 0.000 2.651 302 E HA 0.021 4.371 4.350 0.000 0.000 0.208 302 E C -0.450 176.072 176.600 -0.129 0.000 0.997 302 E CA -0.222 56.099 56.400 -0.132 0.000 1.020 302 E CB 0.176 29.803 29.700 -0.120 0.000 1.052 302 E HN 0.229 nan 8.360 nan 0.000 0.465 303 D N 0.728 121.043 120.400 -0.142 0.000 4.044 303 D HA -0.138 4.503 4.640 0.000 0.000 0.242 303 D C -0.838 175.387 176.300 -0.126 0.000 1.076 303 D CA 0.481 54.418 54.000 -0.105 0.000 1.171 303 D CB -1.017 39.748 40.800 -0.059 0.000 0.866 303 D HN 0.115 nan 8.370 nan 0.000 0.413 304 V N 2.315 122.128 119.914 -0.169 0.000 3.302 304 V HA 0.858 4.978 4.120 0.000 0.000 0.304 304 V C 0.713 176.741 176.094 -0.110 0.000 1.209 304 V CA -0.014 62.196 62.300 -0.151 0.000 1.032 304 V CB 1.800 33.492 31.823 -0.219 0.000 1.219 304 V HN 0.639 nan 8.190 nan 0.000 0.469 305 E N -0.913 119.236 120.200 -0.085 0.000 2.433 305 E HA 0.800 5.150 4.350 0.000 0.000 0.273 305 E C -1.874 174.672 176.600 -0.091 0.000 0.950 305 E CA -0.834 55.506 56.400 -0.100 0.000 0.796 305 E CB 2.298 31.957 29.700 -0.068 0.000 1.330 305 E HN 0.283 nan 8.360 nan 0.000 0.455 306 V N 1.422 121.253 119.914 -0.138 0.000 2.610 306 V HA 0.301 4.422 4.120 0.000 0.000 0.298 306 V C -0.655 175.386 176.094 -0.088 0.000 1.067 306 V CA -0.773 61.423 62.300 -0.174 0.000 0.894 306 V CB 0.790 32.443 31.823 -0.284 0.000 1.015 306 V HN 0.943 nan 8.190 nan 0.000 0.432 307 H N 2.594 121.641 119.070 -0.039 0.000 2.677 307 H HA -0.193 4.363 4.556 0.000 0.000 0.321 307 H C 1.327 176.637 175.328 -0.030 0.000 1.171 307 H CA 0.620 56.652 56.048 -0.027 0.000 1.139 307 H CB -0.590 29.161 29.762 -0.019 0.000 1.515 307 H HN 1.611 nan 8.280 nan 0.000 0.423 308 G N 0.876 109.723 108.800 0.079 0.000 2.246 308 G HA2 -0.295 3.665 3.960 0.000 0.000 0.273 308 G HA3 -0.295 3.665 3.960 0.000 0.000 0.273 308 G C 0.010 174.916 174.900 0.009 0.000 1.055 308 G CA 0.621 45.741 45.100 0.034 0.000 0.851 308 G HN 0.577 nan 8.290 nan 0.000 0.500 309 T N 0.066 114.598 114.554 -0.037 0.000 2.906 309 T HA 0.432 4.782 4.350 0.000 0.000 0.302 309 T C 0.147 174.749 174.700 -0.165 0.000 1.002 309 T CA -0.748 61.288 62.100 -0.108 0.000 0.988 309 T CB 1.600 70.344 68.868 -0.206 0.000 0.972 309 T HN 0.397 nan 8.240 nan 0.000 0.447 310 R N 4.045 124.491 120.500 -0.091 0.000 2.291 310 R HA 0.273 4.613 4.340 0.000 0.000 0.333 310 R C -0.581 175.657 176.300 -0.103 0.000 1.082 310 R CA -0.219 55.837 56.100 -0.073 0.000 0.948 310 R CB -0.084 30.215 30.300 -0.003 0.000 1.009 310 R HN 0.663 nan 8.270 nan 0.000 0.460 311 I N 4.395 124.859 120.570 -0.177 0.000 2.308 311 I HA 0.105 4.275 4.170 0.000 0.000 0.293 311 I C 0.412 176.514 176.117 -0.027 0.000 1.078 311 I CA -0.169 61.022 61.300 -0.182 0.000 1.292 311 I CB 1.106 38.948 38.000 -0.264 0.000 1.423 311 I HN 0.663 nan 8.210 nan 0.000 0.493 312 A N 6.095 128.964 122.820 0.082 0.000 2.445 312 A HA 0.564 4.884 4.320 0.000 0.000 0.242 312 A C 0.551 178.148 177.584 0.022 0.000 1.075 312 A CA -0.206 51.867 52.037 0.060 0.000 0.777 312 A CB 0.336 19.399 19.000 0.105 0.000 1.013 312 A HN 0.826 nan 8.150 nan 0.000 0.493 313 A N 0.911 123.724 122.820 -0.012 0.000 2.466 313 A HA 0.499 4.819 4.320 0.000 0.000 0.238 313 A C 1.693 179.266 177.584 -0.017 0.000 1.074 313 A CA 0.745 52.761 52.037 -0.035 0.000 0.774 313 A CB -0.548 18.426 19.000 -0.044 0.000 1.015 313 A HN 2.759 nan 8.150 nan 0.000 0.498 314 G N 0.219 109.004 108.800 -0.025 0.000 2.267 314 G HA2 -0.227 3.733 3.960 0.000 0.000 0.257 314 G HA3 -0.227 3.733 3.960 0.000 0.000 0.257 314 G C 0.156 175.034 174.900 -0.037 0.000 0.998 314 G CA 0.585 45.670 45.100 -0.026 0.000 0.620 314 G HN 0.905 nan 8.290 nan 0.000 0.529 315 E N 2.372 122.562 120.200 -0.017 0.000 2.354 315 E HA 0.372 4.722 4.350 0.000 0.000 0.269 315 E C -2.161 174.429 176.600 -0.016 0.000 1.036 315 E CA -1.296 55.081 56.400 -0.038 0.000 0.876 315 E CB 1.340 31.090 29.700 0.083 0.000 1.009 315 E HN 0.321 nan 8.360 nan 0.000 0.416 316 P HA 0.169 nan 4.420 nan 0.000 0.284 316 P C -1.040 176.220 177.300 -0.066 0.000 1.258 316 P CA -0.391 62.623 63.100 -0.144 0.000 0.824 316 P CB 1.491 33.031 31.700 -0.267 0.000 1.038 317 V N 3.422 123.253 119.914 -0.139 0.000 2.808 317 V HA 0.511 4.631 4.120 0.000 0.000 0.308 317 V C -1.797 174.160 176.094 -0.228 0.000 1.099 317 V CA -0.733 61.538 62.300 -0.049 0.000 0.920 317 V CB 1.619 33.471 31.823 0.049 0.000 1.014 317 V HN 0.446 nan 8.190 nan 0.000 0.425 318 Y N 4.197 124.520 120.300 0.038 0.000 2.528 318 Y HA 0.836 5.387 4.550 0.001 0.000 0.335 318 Y C 0.138 175.996 175.900 -0.070 0.000 1.093 318 Y CA -0.722 57.369 58.100 -0.015 0.000 1.134 318 Y CB 2.420 40.913 38.460 0.054 0.000 1.253 318 Y HN 0.734 nan 8.280 nan 0.000 0.478 319 V N -0.985 118.963 119.914 0.057 0.000 2.760 319 V HA 0.593 4.713 4.120 0.000 0.000 0.309 319 V C -0.817 175.142 176.094 -0.224 0.000 1.077 319 V CA -0.787 61.427 62.300 -0.143 0.000 0.910 319 V CB 1.529 33.161 31.823 -0.319 0.000 1.008 319 V HN 0.659 nan 8.190 nan 0.000 0.424 320 S N 2.621 118.230 115.700 -0.152 0.000 2.448 320 S HA 0.557 5.027 4.470 0.000 0.000 0.320 320 S C 0.260 174.809 174.600 -0.085 0.000 1.071 320 S CA -0.465 57.687 58.200 -0.080 0.000 1.113 320 S CB 0.433 63.666 63.200 0.055 0.000 0.972 320 S HN 0.722 nan 8.310 nan 0.000 0.465 321 Y N 4.100 124.440 120.300 0.067 0.000 2.314 321 Y HA -0.059 4.491 4.550 0.000 0.000 0.293 321 Y C 1.937 177.906 175.900 0.115 0.000 1.129 321 Y CA 0.812 58.955 58.100 0.071 0.000 1.201 321 Y CB -0.098 38.395 38.460 0.055 0.000 0.999 321 Y HN 0.586 nan 8.280 nan 0.000 0.541 322 L N -0.376 120.987 121.223 0.233 0.000 1.943 322 L HA -0.299 4.042 4.340 0.000 0.000 0.215 322 L C 2.801 179.873 176.870 0.337 0.000 1.074 322 L CA 1.399 56.365 54.840 0.210 0.000 0.759 322 L CB -1.269 40.802 42.059 0.020 0.000 0.888 322 L HN 0.240 nan 8.230 nan 0.000 0.433 323 A N 0.137 123.145 122.820 0.313 0.000 1.917 323 A HA -0.262 4.058 4.320 0.000 0.000 0.219 323 A C 2.515 180.251 177.584 0.254 0.000 1.182 323 A CA 2.232 54.465 52.037 0.327 0.000 0.633 323 A CB -0.890 18.222 19.000 0.186 0.000 0.819 323 A HN 0.504 nan 8.150 nan 0.000 0.448 324 A N -0.106 122.850 122.820 0.226 0.000 1.940 324 A HA -0.211 4.109 4.320 0.000 0.000 0.219 324 A C 1.825 179.692 177.584 0.472 0.000 1.176 324 A CA 1.820 54.016 52.037 0.265 0.000 0.631 324 A CB -0.589 18.506 19.000 0.158 0.000 0.814 324 A HN 0.562 nan 8.150 nan 0.000 0.446 325 N N -0.688 118.277 118.700 0.442 0.000 2.494 325 N HA -0.028 4.712 4.740 0.000 0.000 0.182 325 N C 0.922 176.695 175.510 0.438 0.000 1.076 325 N CA 0.452 53.799 53.050 0.496 0.000 0.908 325 N CB -0.042 38.583 38.487 0.230 0.000 0.967 325 N HN 0.269 nan 8.380 nan 0.000 0.449 326 R N 0.671 121.367 120.500 0.326 0.000 2.427 326 R HA 0.112 4.452 4.340 0.000 0.000 0.262 326 R C -0.283 176.142 176.300 0.209 0.000 0.943 326 R CA -0.290 55.917 56.100 0.178 0.000 1.081 326 R CB -0.481 29.747 30.300 -0.119 0.000 1.166 326 R HN 0.119 nan 8.270 nan 0.000 0.534 327 D N 2.022 122.606 120.400 0.307 0.000 2.412 327 D HA 0.005 4.646 4.640 0.000 0.000 0.257 327 D C -1.581 174.771 176.300 0.087 0.000 1.217 327 D CA -1.647 52.449 54.000 0.160 0.000 0.897 327 D CB 1.614 42.501 40.800 0.146 0.000 1.132 327 D HN -0.051 nan 8.370 nan 0.000 0.493 328 P HA -0.104 nan 4.420 nan 0.000 0.217 328 P C 0.844 178.129 177.300 -0.025 0.000 1.150 328 P CA 0.804 63.920 63.100 0.027 0.000 0.832 328 P CB 0.334 32.042 31.700 0.014 0.000 0.787 329 D N -0.735 119.629 120.400 -0.060 0.000 2.104 329 D HA -0.113 4.527 4.640 0.000 0.000 0.194 329 D C 1.868 178.048 176.300 -0.200 0.000 0.994 329 D CA 1.375 55.313 54.000 -0.104 0.000 0.830 329 D CB -0.319 40.426 40.800 -0.093 0.000 0.959 329 D HN 0.064 nan 8.370 nan 0.000 0.452 330 V N 0.146 119.838 119.914 -0.370 0.000 2.379 330 V HA -0.067 4.053 4.120 0.000 0.000 0.243 330 V C 0.827 176.568 176.094 -0.589 0.000 1.035 330 V CA 0.920 62.809 62.300 -0.685 0.000 1.035 330 V CB -0.215 30.802 31.823 -1.344 0.000 0.673 330 V HN 0.036 nan 8.190 nan 0.000 0.457 331 F N 1.283 121.217 119.950 -0.026 0.000 2.310 331 F HA 0.452 4.979 4.527 0.000 0.000 0.365 331 F C -2.471 173.339 175.800 0.017 0.000 1.080 331 F CA -2.529 55.480 58.000 0.016 0.000 1.187 331 F CB 0.288 39.325 39.000 0.062 0.000 1.465 331 F HN 0.014 nan 8.300 nan 0.000 0.496 332 P HA -0.079 nan 4.420 nan 0.000 0.262 332 P C 0.069 177.427 177.300 0.098 0.000 1.182 332 P CA 0.732 63.882 63.100 0.082 0.000 0.761 332 P CB 0.410 32.142 31.700 0.053 0.000 0.795 333 D N 4.028 124.472 120.400 0.074 0.000 2.716 333 D HA -0.126 4.514 4.640 0.000 0.000 0.239 333 D C -1.029 175.329 176.300 0.097 0.000 1.125 333 D CA 0.433 54.474 54.000 0.067 0.000 0.681 333 D CB -0.714 40.119 40.800 0.055 0.000 1.070 333 D HN 0.259 nan 8.370 nan 0.000 0.432 334 P HA -0.233 nan 4.420 nan 0.000 0.220 334 P C 0.972 178.352 177.300 0.133 0.000 1.155 334 P CA 1.631 64.817 63.100 0.145 0.000 0.880 334 P CB 0.133 31.898 31.700 0.108 0.000 0.790 335 D N -1.306 119.159 120.400 0.107 0.000 2.317 335 D HA -0.027 4.613 4.640 0.000 0.000 0.211 335 D C 1.329 177.824 176.300 0.326 0.000 0.966 335 D CA 0.336 54.464 54.000 0.214 0.000 0.876 335 D CB -0.392 40.478 40.800 0.116 0.000 0.927 335 D HN 0.240 nan 8.370 nan 0.000 0.519 336 R N 1.005 121.596 120.500 0.152 0.000 2.590 336 R HA 0.212 4.553 4.340 0.000 0.000 0.274 336 R C 0.033 176.318 176.300 -0.026 0.000 1.061 336 R CA -0.090 56.039 56.100 0.050 0.000 1.081 336 R CB 0.488 30.805 30.300 0.029 0.000 0.984 336 R HN -0.070 nan 8.270 nan 0.000 0.448 337 I N 4.508 124.959 120.570 -0.198 0.000 2.282 337 I HA -0.020 4.150 4.170 0.000 0.000 0.290 337 I C 0.775 176.806 176.117 -0.143 0.000 1.090 337 I CA -0.119 61.014 61.300 -0.278 0.000 1.231 337 I CB 1.129 38.809 38.000 -0.534 0.000 1.434 337 I HN 0.746 nan 8.210 nan 0.000 0.487 338 D N 5.567 125.925 120.400 -0.071 0.000 2.120 338 D HA -0.080 4.560 4.640 0.000 0.000 0.202 338 D C 1.885 178.163 176.300 -0.036 0.000 0.972 338 D CA 1.349 55.327 54.000 -0.037 0.000 0.837 338 D CB 0.424 41.224 40.800 -0.001 0.000 0.989 338 D HN 0.592 nan 8.370 nan 0.000 0.469 339 L N -0.915 120.287 121.223 -0.034 0.000 4.982 339 L HA -0.254 4.086 4.340 0.000 0.000 0.402 339 L C -0.022 176.847 176.870 -0.001 0.000 0.863 339 L CA 1.294 56.120 54.840 -0.023 0.000 1.876 339 L CB -1.088 40.951 42.059 -0.034 0.000 1.554 339 L HN 0.137 nan 8.230 nan 0.000 0.603 340 D N -0.209 120.194 120.400 0.006 0.000 2.527 340 D HA 0.136 4.777 4.640 0.000 0.000 0.224 340 D C 0.826 177.145 176.300 0.032 0.000 1.217 340 D CA -0.243 53.767 54.000 0.018 0.000 0.819 340 D CB 0.362 41.170 40.800 0.013 0.000 1.061 340 D HN 0.208 nan 8.370 nan 0.000 0.515 341 R N 2.558 123.082 120.500 0.039 0.000 2.481 341 R HA -0.088 4.252 4.340 0.000 0.000 0.291 341 R C 1.269 177.614 176.300 0.075 0.000 0.934 341 R CA 0.257 56.395 56.100 0.064 0.000 1.116 341 R CB 0.596 30.939 30.300 0.072 0.000 0.895 341 R HN 0.091 nan 8.270 nan 0.000 0.410 342 D N 5.800 126.245 120.400 0.075 0.000 2.369 342 D HA -0.216 4.424 4.640 0.000 0.000 0.244 342 D C -0.939 175.411 176.300 0.083 0.000 1.265 342 D CA 1.401 55.442 54.000 0.069 0.000 1.065 342 D CB -1.519 39.317 40.800 0.060 0.000 1.689 342 D HN 0.448 nan 8.370 nan 0.000 0.583 343 P HA 0.066 nan 4.420 nan 0.000 0.218 343 P C -0.425 176.970 177.300 0.159 0.000 1.147 343 P CA 0.610 63.775 63.100 0.107 0.000 0.863 343 P CB -0.007 31.747 31.700 0.089 0.000 0.812 344 N N -0.041 118.795 118.700 0.226 0.000 2.525 344 N HA -0.081 4.659 4.740 0.000 0.000 0.283 344 N C -2.250 173.480 175.510 0.367 0.000 1.259 344 N CA 0.168 53.427 53.050 0.349 0.000 0.689 344 N CB -1.143 37.460 38.487 0.193 0.000 0.899 344 N HN 0.110 nan 8.380 nan 0.000 0.541 345 P HA 0.098 nan 4.420 nan 0.000 0.214 345 P C -0.038 177.570 177.300 0.515 0.000 1.807 345 P CA -0.234 63.069 63.100 0.339 0.000 0.921 345 P CB -0.750 31.097 31.700 0.246 0.000 1.835 346 H N -0.018 119.316 119.070 0.440 0.000 2.889 346 H HA 0.073 4.629 4.556 0.000 0.000 0.383 346 H C -0.015 175.494 175.328 0.302 0.000 1.433 346 H CA -0.105 56.154 56.048 0.353 0.000 1.461 346 H CB 0.215 29.977 29.762 0.000 0.000 1.475 346 H HN 0.072 nan 8.280 nan 0.000 0.611 347 L N 0.926 122.379 121.223 0.383 0.000 3.059 347 L HA 0.378 4.718 4.340 0.000 0.000 0.298 347 L C 1.293 178.164 176.870 0.002 0.000 1.304 347 L CA 0.067 54.994 54.840 0.145 0.000 0.855 347 L CB 0.427 42.572 42.059 0.143 0.000 1.266 347 L HN 0.908 nan 8.230 nan 0.000 0.572 348 A N -0.732 122.180 122.820 0.154 0.000 2.119 348 A HA -0.035 4.285 4.320 0.000 0.000 0.217 348 A C 1.085 178.372 177.584 -0.496 0.000 1.153 348 A CA 1.123 53.012 52.037 -0.246 0.000 0.692 348 A CB -0.367 18.348 19.000 -0.474 0.000 0.799 348 A HN 0.569 nan 8.150 nan 0.000 0.458 349 Y N -0.270 119.877 120.300 -0.254 0.000 2.751 349 Y HA 0.430 4.980 4.550 0.000 0.000 0.289 349 Y C 1.511 176.933 175.900 -0.796 0.000 1.110 349 Y CA -0.100 57.644 58.100 -0.593 0.000 1.251 349 Y CB -0.072 37.866 38.460 -0.869 0.000 1.178 349 Y HN 0.472 nan 8.280 nan 0.000 0.540 350 G N 1.504 109.848 108.800 -0.760 0.000 2.553 350 G HA2 -0.301 3.659 3.960 0.000 0.000 0.242 350 G HA3 -0.301 3.659 3.960 0.000 0.000 0.242 350 G C -0.755 174.014 174.900 -0.217 0.000 1.277 350 G CA 0.000 44.574 45.100 -0.878 0.000 0.910 350 G HN 0.548 nan 8.290 nan 0.000 0.576 351 N N -1.195 117.635 118.700 0.216 0.000 3.265 351 N HA 0.561 5.301 4.740 0.000 0.000 0.235 351 N C 0.034 175.735 175.510 0.319 0.000 1.343 351 N CA 0.499 53.743 53.050 0.325 0.000 0.904 351 N CB 1.104 39.755 38.487 0.273 0.000 1.492 351 N HN 2.726 nan 8.380 nan 0.000 0.504 352 G N 0.838 109.769 108.800 0.219 0.000 2.855 352 G HA2 -0.304 3.657 3.960 0.000 0.000 0.352 352 G HA3 -0.304 3.657 3.960 0.000 0.000 0.352 352 G C 0.595 175.660 174.900 0.276 0.000 1.415 352 G CA 0.443 45.642 45.100 0.165 0.000 0.871 352 G HN 1.039 nan 8.290 nan 0.000 0.543 353 H N -1.912 117.184 119.070 0.042 0.000 2.460 353 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 353 H C 1.325 176.722 175.328 0.115 0.000 1.103 353 H CA 1.181 57.264 56.048 0.058 0.000 1.292 353 H CB -0.139 29.608 29.762 -0.025 0.000 1.376 353 H HN 0.521 nan 8.280 nan 0.000 0.531 354 H N 0.254 119.517 119.070 0.322 0.000 3.262 354 H HA 0.055 4.611 4.556 -0.000 0.000 0.270 354 H C -0.637 174.824 175.328 0.221 0.000 1.431 354 H CA -0.122 56.003 56.048 0.128 0.000 1.237 354 H CB -1.105 28.665 29.762 0.012 0.000 1.443 354 H HN 0.310 nan 8.280 nan 0.000 0.609 355 F N 0.119 120.185 119.950 0.193 0.000 2.422 355 F HA 0.211 4.738 4.527 -0.000 0.000 0.333 355 F C 0.375 176.223 175.800 0.081 0.000 1.095 355 F CA -1.065 57.004 58.000 0.114 0.000 1.038 355 F CB 0.801 39.853 39.000 0.087 0.000 1.156 355 F HN 0.103 nan 8.300 nan 0.000 0.483 356 C N 5.448 124.377 119.300 -0.619 0.000 2.437 356 C HA -0.009 4.451 4.460 0.000 0.000 0.399 356 C C 1.660 176.546 174.990 -0.173 0.000 1.478 356 C CA 0.773 59.560 59.018 -0.385 0.000 1.538 356 C CB -0.862 26.611 27.740 -0.445 0.000 2.506 356 C HN 1.036 nan 8.230 nan 0.000 0.603 357 T N 4.108 118.587 114.554 -0.124 0.000 3.023 357 T HA 0.042 4.392 4.350 0.000 0.000 0.266 357 T C 1.681 176.269 174.700 -0.187 0.000 1.093 357 T CA 1.342 63.330 62.100 -0.186 0.000 1.129 357 T CB 0.028 68.660 68.868 -0.393 0.000 0.899 357 T HN 0.954 nan 8.240 nan 0.000 0.491 358 G N 0.332 109.061 108.800 -0.119 0.000 3.126 358 G HA2 0.385 4.345 3.960 0.000 0.000 0.224 358 G HA3 0.385 4.345 3.960 0.000 0.000 0.224 358 G C 1.644 176.502 174.900 -0.070 0.000 1.142 358 G CA 0.547 45.679 45.100 0.054 0.000 0.759 358 G HN 0.450 nan 8.290 nan 0.000 0.550 359 A N 0.762 123.402 122.820 -0.299 0.000 1.923 359 A HA -0.187 4.133 4.320 0.000 0.000 0.222 359 A C 2.530 179.858 177.584 -0.426 0.000 1.258 359 A CA 2.433 53.992 52.037 -0.796 0.000 0.670 359 A CB -0.819 17.587 19.000 -0.989 0.000 0.834 359 A HN 0.360 nan 8.150 nan 0.000 0.470 360 V N -0.606 119.224 119.914 -0.139 0.000 2.453 360 V HA -0.176 3.944 4.120 0.000 0.000 0.247 360 V C 2.428 178.524 176.094 0.002 0.000 1.048 360 V CA 1.734 64.014 62.300 -0.033 0.000 1.049 360 V CB -0.778 31.060 31.823 0.026 0.000 0.672 360 V HN 0.603 nan 8.190 nan 0.000 0.457 361 L N 1.225 122.468 121.223 0.033 0.000 2.093 361 L HA 0.032 4.372 4.340 0.000 0.000 0.208 361 L C 2.326 179.215 176.870 0.031 0.000 1.085 361 L CA 2.264 57.122 54.840 0.030 0.000 0.755 361 L CB -0.958 41.141 42.059 0.066 0.000 0.904 361 L HN 0.200 nan 8.230 nan 0.000 0.435 362 A N -0.650 122.188 122.820 0.032 0.000 2.016 362 A HA -0.119 4.201 4.320 0.000 0.000 0.217 362 A C 2.371 180.016 177.584 0.102 0.000 1.162 362 A CA 1.143 53.222 52.037 0.071 0.000 0.662 362 A CB -0.462 18.595 19.000 0.096 0.000 0.812 362 A HN 0.444 nan 8.150 nan 0.000 0.450 363 R N -0.242 120.308 120.500 0.084 0.000 2.075 363 R HA -0.040 4.300 4.340 0.000 0.000 0.232 363 R C 2.099 178.457 176.300 0.096 0.000 1.126 363 R CA 1.956 58.127 56.100 0.118 0.000 0.963 363 R CB -0.582 29.785 30.300 0.112 0.000 0.858 363 R HN 0.479 nan 8.270 nan 0.000 0.435 364 M N 0.398 120.043 119.600 0.075 0.000 2.086 364 M HA -0.197 4.283 4.480 0.000 0.000 0.261 364 M C 1.726 178.094 176.300 0.113 0.000 1.067 364 M CA 1.901 57.246 55.300 0.076 0.000 1.116 364 M CB -0.414 32.218 32.600 0.053 0.000 1.348 364 M HN 0.305 nan 8.290 nan 0.000 0.407 365 Q N -0.682 119.204 119.800 0.144 0.000 2.061 365 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 365 Q C 1.922 178.051 176.000 0.216 0.000 0.984 365 Q CA 2.358 58.326 55.803 0.275 0.000 0.846 365 Q CB -0.380 28.498 28.738 0.234 0.000 0.902 365 Q HN 0.539 nan 8.270 nan 0.000 0.421 366 T N 1.097 115.738 114.554 0.145 0.000 2.684 366 T HA -0.179 4.171 4.350 0.000 0.000 0.267 366 T C 1.510 176.247 174.700 0.062 0.000 1.036 366 T CA 1.601 63.763 62.100 0.103 0.000 1.148 366 T CB -0.177 68.752 68.868 0.101 0.000 0.863 366 T HN 0.361 nan 8.240 nan 0.000 0.436 367 E N 0.667 120.905 120.200 0.064 0.000 2.110 367 E HA -0.049 4.301 4.350 0.000 0.000 0.193 367 E C 2.280 178.883 176.600 0.005 0.000 0.988 367 E CA 0.810 57.232 56.400 0.036 0.000 0.804 367 E CB -0.274 29.453 29.700 0.045 0.000 0.745 367 E HN 0.420 nan 8.360 nan 0.000 0.458 368 L N 0.704 121.933 121.223 0.011 0.000 2.093 368 L HA -0.182 4.158 4.340 0.000 0.000 0.208 368 L C 2.474 179.255 176.870 -0.149 0.000 1.085 368 L CA 0.780 55.590 54.840 -0.050 0.000 0.755 368 L CB -0.317 41.737 42.059 -0.008 0.000 0.904 368 L HN 0.177 nan 8.230 nan 0.000 0.435 369 L N -1.001 120.131 121.223 -0.152 0.000 1.976 369 L HA -0.214 4.126 4.340 0.000 0.000 0.209 369 L C 2.543 179.337 176.870 -0.126 0.000 1.071 369 L CA 1.157 55.877 54.840 -0.201 0.000 0.746 369 L CB -0.487 41.501 42.059 -0.117 0.000 0.890 369 L HN 0.026 nan 8.230 nan 0.000 0.432 370 V N -0.065 119.810 119.914 -0.064 0.000 2.233 370 V HA -0.354 3.766 4.120 0.000 0.000 0.247 370 V C 2.107 178.165 176.094 -0.060 0.000 1.050 370 V CA 2.247 64.519 62.300 -0.047 0.000 1.010 370 V CB -0.584 31.230 31.823 -0.016 0.000 0.637 370 V HN 0.438 nan 8.190 nan 0.000 0.444 371 D N -0.326 120.041 120.400 -0.054 0.000 2.092 371 D HA -0.140 4.500 4.640 0.000 0.000 0.193 371 D C 2.333 178.585 176.300 -0.079 0.000 0.994 371 D CA 1.939 55.907 54.000 -0.054 0.000 0.828 371 D CB -0.455 40.322 40.800 -0.039 0.000 0.963 371 D HN 0.399 nan 8.370 nan 0.000 0.450 372 T N 0.672 115.160 114.554 -0.110 0.000 2.595 372 T HA -0.119 4.231 4.350 0.000 0.000 0.264 372 T C 2.136 176.748 174.700 -0.147 0.000 1.058 372 T CA 0.796 62.815 62.100 -0.135 0.000 1.166 372 T CB -0.545 68.212 68.868 -0.185 0.000 0.863 372 T HN 0.105 nan 8.240 nan 0.000 0.415 373 L N 0.591 121.715 121.223 -0.165 0.000 2.089 373 L HA -0.129 4.211 4.340 0.000 0.000 0.213 373 L C 2.463 179.251 176.870 -0.138 0.000 1.079 373 L CA 1.282 56.018 54.840 -0.172 0.000 0.758 373 L CB -0.736 41.231 42.059 -0.154 0.000 0.891 373 L HN 0.289 nan 8.230 nan 0.000 0.433 374 L N -0.360 120.803 121.223 -0.099 0.000 2.376 374 L HA -0.148 4.192 4.340 0.000 0.000 0.219 374 L C 2.521 179.349 176.870 -0.069 0.000 1.133 374 L CA 0.896 55.691 54.840 -0.074 0.000 0.816 374 L CB -0.292 41.737 42.059 -0.051 0.000 0.933 374 L HN 0.475 nan 8.230 nan 0.000 0.449 375 E N -0.704 119.447 120.200 -0.080 0.000 2.175 375 E HA -0.037 4.313 4.350 0.000 0.000 0.195 375 E C 2.079 178.629 176.600 -0.083 0.000 0.934 375 E CA -0.374 55.987 56.400 -0.065 0.000 0.870 375 E CB -0.094 29.572 29.700 -0.057 0.000 0.838 375 E HN 0.181 nan 8.360 nan 0.000 0.474 376 R N 0.808 121.232 120.500 -0.126 0.000 2.115 376 R HA 0.112 4.452 4.340 0.000 0.000 0.230 376 R C 0.928 177.082 176.300 -0.243 0.000 1.111 376 R CA 0.661 56.661 56.100 -0.166 0.000 0.976 376 R CB -0.141 30.039 30.300 -0.199 0.000 0.870 376 R HN 0.303 nan 8.270 nan 0.000 0.445 377 L N 3.849 124.910 121.223 -0.270 0.000 2.701 377 L HA 0.287 4.627 4.340 0.000 0.000 0.237 377 L C -2.124 174.688 176.870 -0.096 0.000 1.204 377 L CA -1.838 52.802 54.840 -0.334 0.000 1.109 377 L CB 0.779 42.578 42.059 -0.435 0.000 1.409 377 L HN -0.220 nan 8.230 nan 0.000 0.428 378 P HA -0.105 nan 4.420 nan 0.000 0.259 378 P C 0.854 178.038 177.300 -0.193 0.000 1.163 378 P CA 1.001 64.092 63.100 -0.015 0.000 0.760 378 P CB 0.678 32.448 31.700 0.117 0.000 0.762 379 G N 2.274 110.968 108.800 -0.176 0.000 2.338 379 G HA2 -0.268 3.692 3.960 0.000 0.000 0.296 379 G HA3 -0.268 3.692 3.960 0.000 0.000 0.296 379 G C -0.010 174.762 174.900 -0.212 0.000 1.040 379 G CA -0.130 44.805 45.100 -0.274 0.000 1.004 379 G HN 0.661 nan 8.290 nan 0.000 0.509 380 L N -0.344 120.834 121.223 -0.075 0.000 2.559 380 L HA 0.595 4.935 4.340 0.000 0.000 0.282 380 L C 0.652 177.515 176.870 -0.011 0.000 1.232 380 L CA 0.742 55.590 54.840 0.013 0.000 0.885 380 L CB 0.430 42.490 42.059 0.002 0.000 1.131 380 L HN 0.497 nan 8.230 nan 0.000 0.498 381 R N 3.369 123.877 120.500 0.014 0.000 2.707 381 R HA 0.520 4.861 4.340 0.000 0.000 0.272 381 R C -1.479 174.814 176.300 -0.012 0.000 1.011 381 R CA -0.869 55.221 56.100 -0.016 0.000 0.893 381 R CB 1.216 31.498 30.300 -0.030 0.000 1.233 381 R HN 0.741 nan 8.270 nan 0.000 0.464 382 L N 2.371 123.573 121.223 -0.034 0.000 2.380 382 L HA 0.290 4.631 4.340 0.000 0.000 0.273 382 L C 0.807 177.656 176.870 -0.036 0.000 1.138 382 L CA 0.217 55.033 54.840 -0.039 0.000 0.832 382 L CB 1.450 43.467 42.059 -0.069 0.000 1.124 382 L HN 0.973 nan 8.230 nan 0.000 0.454 383 A N 4.518 127.317 122.820 -0.035 0.000 2.238 383 A HA 0.255 4.575 4.320 0.000 0.000 0.210 383 A C 0.296 177.860 177.584 -0.034 0.000 1.179 383 A CA 0.537 52.546 52.037 -0.046 0.000 0.827 383 A CB -0.064 18.897 19.000 -0.065 0.000 0.856 383 A HN 0.509 nan 8.150 nan 0.000 0.488 384 V N -4.833 115.067 119.914 -0.023 0.000 3.155 384 V HA 0.706 4.826 4.120 0.000 0.000 0.313 384 V C -3.322 172.769 176.094 -0.006 0.000 1.162 384 V CA -2.771 59.522 62.300 -0.011 0.000 1.048 384 V CB 1.042 32.864 31.823 -0.002 0.000 1.092 384 V HN 0.002 nan 8.190 nan 0.000 0.447 385 P HA 0.429 nan 4.420 nan 0.000 0.275 385 P C 0.696 178.020 177.300 0.040 0.000 1.228 385 P CA 0.280 63.391 63.100 0.019 0.000 0.786 385 P CB 1.227 32.943 31.700 0.027 0.000 0.927 386 A N 3.343 126.189 122.820 0.042 0.000 1.997 386 A HA -0.225 4.095 4.320 0.000 0.000 0.221 386 A C 1.640 179.344 177.584 0.199 0.000 1.172 386 A CA 1.665 53.760 52.037 0.096 0.000 0.645 386 A CB -0.909 18.142 19.000 0.085 0.000 0.813 386 A HN 0.698 nan 8.150 nan 0.000 0.454 387 E N -0.670 119.617 120.200 0.144 0.000 2.511 387 E HA -0.103 4.247 4.350 0.000 0.000 0.196 387 E C 0.867 177.541 176.600 0.123 0.000 1.066 387 E CA 0.497 56.986 56.400 0.148 0.000 0.871 387 E CB -0.195 29.567 29.700 0.104 0.000 0.863 387 E HN 0.592 nan 8.360 nan 0.000 0.520 388 Q N 0.528 120.389 119.800 0.102 0.000 2.356 388 Q HA 0.174 4.514 4.340 0.000 0.000 0.205 388 Q C 0.096 176.136 176.000 0.066 0.000 0.901 388 Q CA 0.068 55.913 55.803 0.070 0.000 0.938 388 Q CB 1.055 29.819 28.738 0.043 0.000 1.081 388 Q HN 0.091 nan 8.270 nan 0.000 0.517 389 V N 1.905 121.880 119.914 0.102 0.000 2.334 389 V HA 0.402 4.522 4.120 0.000 0.000 0.267 389 V C 0.355 176.445 176.094 -0.006 0.000 1.040 389 V CA -0.528 61.795 62.300 0.038 0.000 0.866 389 V CB 0.633 32.530 31.823 0.124 0.000 1.019 389 V HN 0.145 nan 8.190 nan 0.000 0.468 390 A N 5.311 128.111 122.820 -0.034 0.000 2.249 390 A HA 0.779 5.099 4.320 0.000 0.000 0.281 390 A C -0.918 176.594 177.584 -0.120 0.000 1.127 390 A CA -0.270 51.801 52.037 0.058 0.000 0.833 390 A CB 0.559 19.593 19.000 0.057 0.000 1.140 390 A HN 0.752 nan 8.150 nan 0.000 0.502 391 W N -1.248 120.015 121.300 -0.061 0.000 2.975 391 W HA 0.601 5.261 4.660 0.000 0.000 0.342 391 W C -0.027 176.438 176.519 -0.090 0.000 1.168 391 W CA -0.646 56.643 57.345 -0.093 0.000 1.141 391 W CB 0.986 30.369 29.460 -0.128 0.000 1.445 391 W HN 0.645 nan 8.180 nan 0.000 0.560 392 R N 1.865 122.443 120.500 0.130 0.000 2.623 392 R HA 0.411 4.751 4.340 0.000 0.000 0.271 392 R C -0.039 176.269 176.300 0.013 0.000 1.043 392 R CA -0.146 55.960 56.100 0.009 0.000 1.083 392 R CB 0.434 30.675 30.300 -0.098 0.000 0.974 392 R HN 0.331 nan 8.270 nan 0.000 0.436 393 R N 1.601 122.092 120.500 -0.014 0.000 2.750 393 R HA 0.241 4.581 4.340 0.000 0.000 0.281 393 R C -0.644 175.631 176.300 -0.042 0.000 0.972 393 R CA -1.081 55.003 56.100 -0.027 0.000 0.912 393 R CB 1.819 32.112 30.300 -0.013 0.000 1.187 393 R HN 0.524 nan 8.270 nan 0.000 0.464 394 K N 0.826 121.194 120.400 -0.054 0.000 3.939 394 K HA -0.191 4.130 4.320 0.000 0.000 0.281 394 K C -0.734 175.832 176.600 -0.057 0.000 0.981 394 K CA 1.109 57.366 56.287 -0.050 0.000 0.833 394 K CB -1.195 31.288 32.500 -0.028 0.000 1.501 394 K HN 0.884 nan 8.250 nan 0.000 0.445 395 T N -1.114 113.392 114.554 -0.080 0.000 2.893 395 T HA 0.405 4.756 4.350 0.000 0.000 0.337 395 T C 0.605 175.236 174.700 -0.114 0.000 1.587 395 T CA -0.275 61.773 62.100 -0.086 0.000 1.066 395 T CB 1.422 70.234 68.868 -0.094 0.000 1.414 395 T HN 0.195 nan 8.240 nan 0.000 0.488 396 M N 3.265 122.803 119.600 -0.104 0.000 2.086 396 M HA 0.364 4.844 4.480 0.000 0.000 0.261 396 M C 0.322 176.521 176.300 -0.168 0.000 1.067 396 M CA 1.651 56.877 55.300 -0.125 0.000 1.116 396 M CB -0.446 32.103 32.600 -0.085 0.000 1.348 396 M HN 0.624 nan 8.290 nan 0.000 0.407 397 I N 1.398 121.858 120.570 -0.184 0.000 2.428 397 I HA 0.248 4.418 4.170 0.000 0.000 0.296 397 I C 0.151 176.117 176.117 -0.251 0.000 0.985 397 I CA -0.701 60.431 61.300 -0.281 0.000 1.260 397 I CB 1.143 38.982 38.000 -0.269 0.000 1.389 397 I HN 0.129 nan 8.210 nan 0.000 0.484 398 R N 3.586 123.962 120.500 -0.208 0.000 2.536 398 R HA 0.814 5.154 4.340 0.000 0.000 0.279 398 R C -0.129 176.198 176.300 0.045 0.000 1.001 398 R CA -0.716 55.340 56.100 -0.075 0.000 1.027 398 R CB 1.697 31.962 30.300 -0.058 0.000 1.096 398 R HN 0.913 nan 8.270 nan 0.000 0.502 399 G N 1.546 110.471 108.800 0.210 0.000 2.325 399 G HA2 0.197 4.158 3.960 0.000 0.000 0.297 399 G HA3 0.197 4.158 3.960 0.000 0.000 0.297 399 G C -3.211 171.656 174.900 -0.055 0.000 1.448 399 G CA -1.004 44.207 45.100 0.186 0.000 0.838 399 G HN 0.229 nan 8.290 nan 0.000 0.579 400 P HA 0.299 nan 4.420 nan 0.000 0.272 400 P C 0.635 177.759 177.300 -0.294 0.000 1.223 400 P CA -0.308 62.350 63.100 -0.737 0.000 0.784 400 P CB 0.867 32.217 31.700 -0.584 0.000 0.923 401 R N 0.360 120.709 120.500 -0.251 0.000 2.161 401 R HA 0.084 4.425 4.340 0.000 0.000 0.213 401 R C 0.744 177.002 176.300 -0.070 0.000 1.055 401 R CA 1.177 57.214 56.100 -0.105 0.000 0.996 401 R CB -0.123 30.135 30.300 -0.069 0.000 0.901 401 R HN 0.669 nan 8.270 nan 0.000 0.456 402 T N -3.576 110.918 114.554 -0.099 0.000 2.739 402 T HA 0.458 4.808 4.350 0.000 0.000 0.303 402 T C -0.885 173.780 174.700 -0.057 0.000 1.389 402 T CA -0.814 61.255 62.100 -0.051 0.000 1.001 402 T CB 1.556 70.408 68.868 -0.027 0.000 1.436 402 T HN -0.048 nan 8.240 nan 0.000 0.500 403 L N 0.956 122.167 121.223 -0.019 0.000 2.457 403 L HA 0.367 4.707 4.340 0.000 0.000 0.259 403 L C -2.869 174.008 176.870 0.013 0.000 1.377 403 L CA -1.763 53.074 54.840 -0.004 0.000 0.887 403 L CB 1.876 43.937 42.059 0.004 0.000 1.085 403 L HN 0.449 nan 8.230 nan 0.000 0.509 404 P HA 0.076 nan 4.420 nan 0.000 0.264 404 P C -0.421 176.888 177.300 0.016 0.000 1.229 404 P CA 0.198 63.305 63.100 0.011 0.000 0.780 404 P CB 0.425 32.122 31.700 -0.005 0.000 0.808 405 C N 2.476 121.810 119.300 0.058 0.000 2.668 405 C HA 0.819 5.280 4.460 0.000 0.000 0.355 405 C C 0.421 175.429 174.990 0.030 0.000 1.277 405 C CA -0.008 59.059 59.018 0.081 0.000 1.787 405 C CB 2.229 30.066 27.740 0.161 0.000 2.233 405 C HN 0.446 nan 8.230 nan 0.000 0.495 406 T N -0.058 114.494 114.554 -0.003 0.000 2.894 406 T HA 0.738 5.088 4.350 0.000 0.000 0.309 406 T C -2.010 172.631 174.700 -0.098 0.000 1.208 406 T CA -0.311 61.597 62.100 -0.319 0.000 1.016 406 T CB 0.947 69.644 68.868 -0.284 0.000 1.192 406 T HN 0.894 nan 8.240 nan 0.000 0.491 407 W N 1.199 122.445 121.300 -0.090 0.000 3.003 407 W HA 0.668 5.328 4.660 0.000 0.000 0.362 407 W C -1.181 175.318 176.519 -0.033 0.000 1.213 407 W CA -1.017 56.242 57.345 -0.143 0.000 1.157 407 W CB 0.128 29.507 29.460 -0.134 0.000 1.493 407 W HN 0.496 nan 8.180 nan 0.000 0.589 408 H N 1.836 121.050 119.070 0.241 0.000 2.955 408 H HA 0.147 4.704 4.556 0.000 0.000 0.290 408 H C -0.091 175.398 175.328 0.268 0.000 1.047 408 H CA 0.282 56.428 56.048 0.163 0.000 1.484 408 H CB -0.364 29.483 29.762 0.141 0.000 1.501 408 H HN 0.506 nan 8.280 nan 0.000 0.521 409 H N 0.000 119.155 119.070 0.142 0.000 2.539 409 H HA 0.000 4.556 4.556 0.000 0.000 0.296 409 H CA 0.000 56.115 56.048 0.112 0.000 1.023 409 H CB 0.000 29.752 29.762 -0.016 0.000 1.292 409 H HN 0.000 nan 8.280 nan 0.000 0.496