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 2iya_1_A DATA FIRST_RESID 11 DATA SEQUENCE TPRHISFFNI PGHGHVNPSL GIVQELVARG HRVSYAITDE FAAQVKAAGA DATA SEQUENCE TPVVYDSILP KESNPEESWP EDQESAMGLF LDEAVRVLPQ LEDAYADDRP DATA SEQUENCE DLIVYDIASW PAPVLGRKWD IPFVQLSPTF VAYEGFEEDV PAVQDPTXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXAE DGLVRFFTRL SAFLEEHGVD TPATEFLIAP DATA SEQUENCE NRCIVALPRT FQIKGDTVGD NYTFVGPTYG DRSHQGTWEG PGDGRPVLLI DATA SEQUENCE ALGSAFTDHL DFYRTCLSAV DGLDWHVVLS VGRFVDPADL GEVPPNVEVH DATA SEQUENCE QWVPQLDILT KASAFITHAG MGSTMEALSN AVPMVAVPQI AEQTMNAERI DATA SEQUENCE VELGLGRHIP RDQVTAEKLR EAVLAVASDP GVAERLAAVR QEIREAGGAR DATA SEQUENCE AAADILEGIL AEA 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.739 174.700 0.065 0.000 1.109 11 T CA 0.000 62.121 62.100 0.036 0.000 1.349 11 T CB 0.000 68.896 68.868 0.047 0.000 0.612 12 P HA 0.395 nan 4.420 nan 0.000 0.265 12 P C -0.309 177.124 177.300 0.222 0.000 1.193 12 P CA -0.471 62.680 63.100 0.084 0.000 0.765 12 P CB 0.569 32.288 31.700 0.032 0.000 0.823 13 R N 1.108 121.877 120.500 0.447 0.000 2.902 13 R HA 0.402 4.741 4.340 -0.001 0.000 0.258 13 R C -0.200 176.265 176.300 0.275 0.000 1.071 13 R CA -0.702 55.555 56.100 0.262 0.000 1.024 13 R CB 0.748 31.123 30.300 0.124 0.000 1.184 13 R HN 0.655 nan 8.270 nan 0.000 0.492 14 H N 1.166 120.287 119.070 0.085 0.000 2.597 14 H HA 0.437 4.992 4.556 -0.001 0.000 0.303 14 H C -0.650 174.712 175.328 0.058 0.000 1.057 14 H CA -0.476 55.628 56.048 0.093 0.000 1.261 14 H CB 0.480 30.291 29.762 0.081 0.000 1.397 14 H HN 0.305 nan 8.280 nan 0.000 0.461 15 I N 4.087 124.800 120.570 0.239 0.000 2.354 15 I HA 0.095 4.264 4.170 -0.001 0.000 0.292 15 I C 0.043 176.259 176.117 0.165 0.000 0.989 15 I CA -0.425 60.915 61.300 0.066 0.000 1.188 15 I CB 1.819 39.867 38.000 0.080 0.000 1.342 15 I HN 0.427 nan 8.210 nan 0.000 0.457 16 S N 6.321 122.002 115.700 -0.032 0.000 2.451 16 S HA 0.603 5.072 4.470 -0.001 0.000 0.301 16 S C -0.828 173.815 174.600 0.071 0.000 1.116 16 S CA -0.413 57.869 58.200 0.136 0.000 1.093 16 S CB 0.419 63.604 63.200 -0.025 0.000 1.017 16 S HN 0.334 nan 8.310 nan 0.000 0.482 17 F N 4.300 124.273 119.950 0.038 0.000 2.420 17 F HA 0.548 5.074 4.527 -0.001 0.000 0.342 17 F C -0.294 175.521 175.800 0.025 0.000 1.113 17 F CA -0.724 57.179 58.000 -0.161 0.000 1.059 17 F CB 1.086 39.721 39.000 -0.608 0.000 1.128 17 F HN 0.453 nan 8.300 nan 0.000 0.475 18 F N 3.081 122.990 119.950 -0.068 0.000 2.427 18 F HA 0.429 4.956 4.527 -0.001 0.000 0.346 18 F C 0.122 175.936 175.800 0.022 0.000 1.120 18 F CA -1.254 56.754 58.000 0.013 0.000 1.033 18 F CB 1.100 40.125 39.000 0.041 0.000 1.126 18 F HN 0.429 nan 8.300 nan 0.000 0.462 19 N N 2.032 120.876 118.700 0.241 0.000 3.157 19 N HA 0.601 5.340 4.740 -0.001 0.000 0.291 19 N C -1.457 174.185 175.510 0.219 0.000 1.515 19 N CA -0.459 52.720 53.050 0.214 0.000 0.807 19 N CB 2.717 41.357 38.487 0.255 0.000 1.672 19 N HN 0.502 nan 8.380 nan 0.000 0.592 20 I N -1.605 119.032 120.570 0.112 0.000 2.693 20 I HA 0.618 4.787 4.170 -0.001 0.000 0.303 20 I C -2.339 173.758 176.117 -0.033 0.000 1.025 20 I CA -2.193 59.168 61.300 0.102 0.000 1.086 20 I CB 2.488 40.497 38.000 0.014 0.000 1.268 20 I HN 0.236 nan 8.210 nan 0.000 0.440 21 P HA 0.231 nan 4.420 nan 0.000 0.241 21 P C -0.235 177.116 177.300 0.085 0.000 1.760 21 P CA 0.237 63.272 63.100 -0.109 0.000 1.081 21 P CB -0.236 31.567 31.700 0.170 0.000 1.975 22 G N 0.854 109.573 108.800 -0.136 0.000 2.740 22 G HA2 0.208 4.168 3.960 -0.001 0.000 0.296 22 G HA3 0.208 4.168 3.960 -0.001 0.000 0.296 22 G C 0.489 175.467 174.900 0.130 0.000 1.439 22 G CA -0.308 44.907 45.100 0.193 0.000 1.066 22 G HN 0.237 nan 8.290 nan 0.000 0.527 23 H N 2.004 121.316 119.070 0.404 0.000 2.422 23 H HA -0.130 4.425 4.556 -0.001 0.000 0.298 23 H C 2.626 178.124 175.328 0.284 0.000 1.098 23 H CA 1.891 58.188 56.048 0.415 0.000 1.315 23 H CB 0.257 30.334 29.762 0.526 0.000 1.382 23 H HN 0.630 nan 8.280 nan 0.000 0.523 24 G N -0.410 108.619 108.800 0.381 0.000 2.471 24 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 24 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 24 G C 1.377 176.332 174.900 0.093 0.000 1.125 24 G CA 0.338 45.580 45.100 0.237 0.000 0.775 24 G HN 0.514 nan 8.290 nan 0.000 0.548 25 H N -0.909 118.198 119.070 0.062 0.000 2.451 25 H HA 0.120 4.675 4.556 -0.001 0.000 0.294 25 H C 2.659 178.017 175.328 0.050 0.000 1.028 25 H CA 0.710 56.773 56.048 0.024 0.000 1.349 25 H CB 0.388 30.137 29.762 -0.023 0.000 1.444 25 H HN 0.195 nan 8.280 nan 0.000 0.538 26 V N 1.832 121.818 119.914 0.120 0.000 2.323 26 V HA -0.205 3.915 4.120 -0.001 0.000 0.244 26 V C 2.013 178.195 176.094 0.147 0.000 1.041 26 V CA 1.379 63.729 62.300 0.084 0.000 1.025 26 V CB -0.342 31.363 31.823 -0.198 0.000 0.656 26 V HN 0.386 nan 8.190 nan 0.000 0.451 27 N N 0.294 119.103 118.700 0.182 0.000 2.061 27 N HA -0.136 4.603 4.740 -0.001 0.000 0.193 27 N C -0.425 175.197 175.510 0.186 0.000 1.030 27 N CA 1.957 55.126 53.050 0.200 0.000 0.856 27 N CB -1.758 36.870 38.487 0.235 0.000 1.023 27 N HN 0.378 nan 8.380 nan 0.000 0.424 28 P HA -0.079 nan 4.420 nan 0.000 0.218 28 P C 1.457 178.854 177.300 0.161 0.000 1.148 28 P CA 1.421 64.622 63.100 0.169 0.000 0.822 28 P CB -0.129 31.642 31.700 0.117 0.000 0.784 29 S N -0.886 114.925 115.700 0.185 0.000 2.423 29 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 29 S C 1.880 176.539 174.600 0.098 0.000 1.014 29 S CA 0.865 59.200 58.200 0.225 0.000 0.965 29 S CB -1.567 61.850 63.200 0.361 0.000 0.785 29 S HN 0.090 nan 8.310 nan 0.000 0.495 30 L N 1.254 122.525 121.223 0.080 0.000 2.141 30 L HA 0.048 4.388 4.340 -0.001 0.000 0.209 30 L C 2.949 179.834 176.870 0.024 0.000 1.094 30 L CA 1.069 55.912 54.840 0.006 0.000 0.763 30 L CB -1.252 40.813 42.059 0.009 0.000 0.908 30 L HN 0.529 nan 8.230 nan 0.000 0.437 31 G N 0.574 109.419 108.800 0.075 0.000 2.422 31 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 31 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 31 G C 1.583 176.515 174.900 0.054 0.000 1.146 31 G CA 0.547 45.684 45.100 0.062 0.000 0.769 31 G HN 0.299 nan 8.290 nan 0.000 0.547 32 I N 0.310 120.927 120.570 0.079 0.000 2.252 32 I HA -0.120 4.049 4.170 -0.001 0.000 0.245 32 I C 2.733 178.914 176.117 0.107 0.000 1.102 32 I CA 0.309 61.690 61.300 0.136 0.000 1.385 32 I CB -0.415 37.747 38.000 0.270 0.000 1.064 32 I HN -0.002 nan 8.210 nan 0.000 0.414 33 V N 0.820 120.691 119.914 -0.072 0.000 2.252 33 V HA -0.347 3.772 4.120 -0.001 0.000 0.249 33 V C 2.515 178.613 176.094 0.007 0.000 1.056 33 V CA 2.051 64.265 62.300 -0.143 0.000 1.022 33 V CB -0.832 30.820 31.823 -0.284 0.000 0.641 33 V HN 0.487 nan 8.190 nan 0.000 0.445 34 Q N -0.639 119.167 119.800 0.010 0.000 2.084 34 Q HA -0.283 4.056 4.340 -0.001 0.000 0.202 34 Q C 2.331 178.365 176.000 0.057 0.000 0.978 34 Q CA 1.949 57.772 55.803 0.033 0.000 0.844 34 Q CB -0.199 28.558 28.738 0.032 0.000 0.898 34 Q HN 0.666 nan 8.270 nan 0.000 0.426 35 E N 0.935 121.175 120.200 0.068 0.000 2.077 35 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 35 E C 1.773 178.444 176.600 0.117 0.000 0.989 35 E CA 0.985 57.434 56.400 0.081 0.000 0.800 35 E CB -0.189 29.556 29.700 0.076 0.000 0.746 35 E HN 0.287 nan 8.360 nan 0.000 0.452 36 L N -0.517 120.802 121.223 0.160 0.000 2.046 36 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 36 L C 2.429 179.436 176.870 0.227 0.000 1.077 36 L CA 0.849 55.839 54.840 0.249 0.000 0.747 36 L CB -0.406 41.818 42.059 0.276 0.000 0.896 36 L HN 0.095 nan 8.230 nan 0.000 0.432 37 V N 0.034 120.039 119.914 0.152 0.000 2.343 37 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 37 V C 2.750 178.884 176.094 0.065 0.000 1.051 37 V CA 1.768 64.133 62.300 0.108 0.000 1.036 37 V CB -0.832 31.038 31.823 0.079 0.000 0.654 37 V HN 0.485 nan 8.190 nan 0.000 0.451 38 A N -0.049 122.807 122.820 0.060 0.000 1.940 38 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 38 A C 2.292 179.887 177.584 0.018 0.000 1.176 38 A CA 1.672 53.731 52.037 0.037 0.000 0.631 38 A CB -0.488 18.536 19.000 0.039 0.000 0.814 38 A HN 0.530 nan 8.150 nan 0.000 0.446 39 R N -1.533 118.985 120.500 0.029 0.000 2.323 39 R HA 0.149 4.488 4.340 -0.001 0.000 0.198 39 R C 1.245 177.438 176.300 -0.177 0.000 0.988 39 R CA 0.562 56.645 56.100 -0.028 0.000 1.041 39 R CB -0.119 30.212 30.300 0.053 0.000 0.926 39 R HN 0.730 nan 8.270 nan 0.000 0.476 40 G N 0.397 109.118 108.800 -0.132 0.000 2.163 40 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.213 40 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.213 40 G C -0.084 174.715 174.900 -0.168 0.000 0.991 40 G CA -0.438 44.572 45.100 -0.149 0.000 0.653 40 G HN 0.338 nan 8.290 nan 0.000 0.518 41 H N -0.027 119.085 119.070 0.069 0.000 2.607 41 H HA 0.423 4.978 4.556 -0.001 0.000 0.367 41 H C 0.826 176.214 175.328 0.100 0.000 1.181 41 H CA 0.161 56.264 56.048 0.091 0.000 1.402 41 H CB 0.876 30.707 29.762 0.114 0.000 1.474 41 H HN 0.374 nan 8.280 nan 0.000 0.596 42 R N 1.534 122.187 120.500 0.254 0.000 2.207 42 R HA 0.359 4.699 4.340 -0.001 0.000 0.334 42 R C -1.450 175.016 176.300 0.276 0.000 1.013 42 R CA -0.463 55.743 56.100 0.176 0.000 0.858 42 R CB 0.183 30.524 30.300 0.067 0.000 1.094 42 R HN 0.263 nan 8.270 nan 0.000 0.457 43 V N 4.485 124.557 119.914 0.262 0.000 2.448 43 V HA 0.376 4.496 4.120 -0.001 0.000 0.295 43 V C -0.234 176.075 176.094 0.357 0.000 1.025 43 V CA -0.668 61.845 62.300 0.355 0.000 0.859 43 V CB 1.565 33.570 31.823 0.304 0.000 0.988 43 V HN 0.975 nan 8.190 nan 0.000 0.431 44 S N 3.965 119.965 115.700 0.500 0.000 2.621 44 S HA 0.807 5.276 4.470 -0.001 0.000 0.302 44 S C -1.159 173.777 174.600 0.561 0.000 1.093 44 S CA -0.718 57.781 58.200 0.500 0.000 1.017 44 S CB 1.879 65.467 63.200 0.648 0.000 1.077 44 S HN 0.696 nan 8.310 nan 0.000 0.517 45 Y N 0.398 120.910 120.300 0.353 0.000 2.307 45 Y HA 0.518 5.067 4.550 -0.001 0.000 0.323 45 Y C -0.514 175.560 175.900 0.291 0.000 1.100 45 Y CA -0.790 57.511 58.100 0.335 0.000 1.140 45 Y CB 1.184 39.746 38.460 0.170 0.000 1.159 45 Y HN 1.101 nan 8.280 nan 0.000 0.436 46 A N 6.368 129.451 122.820 0.438 0.000 2.350 46 A HA 0.640 4.959 4.320 -0.001 0.000 0.293 46 A C -1.033 176.844 177.584 0.489 0.000 1.231 46 A CA 0.081 52.357 52.037 0.397 0.000 0.883 46 A CB 0.001 19.102 19.000 0.168 0.000 1.133 46 A HN 0.660 nan 8.150 nan 0.000 0.533 47 I N 1.136 121.863 120.570 0.262 0.000 3.298 47 I HA 0.498 4.668 4.170 -0.001 0.000 0.315 47 I C 0.389 176.185 176.117 -0.534 0.000 1.293 47 I CA 0.153 61.423 61.300 -0.050 0.000 0.926 47 I CB 2.184 40.292 38.000 0.179 0.000 1.321 47 I HN 0.712 nan 8.210 nan 0.000 0.487 48 T N -1.039 113.241 114.554 -0.457 0.000 2.881 48 T HA 0.474 4.823 4.350 -0.001 0.000 0.278 48 T C 0.961 175.593 174.700 -0.113 0.000 0.982 48 T CA 0.321 62.202 62.100 -0.365 0.000 0.989 48 T CB 0.460 69.200 68.868 -0.213 0.000 1.058 48 T HN 0.704 nan 8.240 nan 0.000 0.529 49 D N -0.495 119.838 120.400 -0.112 0.000 2.149 49 D HA -0.170 4.469 4.640 -0.001 0.000 0.198 49 D C 1.743 177.986 176.300 -0.096 0.000 0.990 49 D CA 1.713 55.663 54.000 -0.083 0.000 0.839 49 D CB -0.882 39.870 40.800 -0.081 0.000 0.948 49 D HN 0.904 nan 8.370 nan 0.000 0.460 50 E N -1.504 118.623 120.200 -0.121 0.000 2.171 50 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 50 E C 0.933 177.248 176.600 -0.474 0.000 0.997 50 E CA 1.176 57.398 56.400 -0.297 0.000 0.810 50 E CB -0.226 29.273 29.700 -0.335 0.000 0.738 50 E HN 0.706 nan 8.360 nan 0.000 0.467 51 F N -1.060 118.793 119.950 -0.162 0.000 2.678 51 F HA 0.377 4.904 4.527 -0.001 0.000 0.305 51 F C 1.782 177.473 175.800 -0.182 0.000 1.090 51 F CA 0.167 58.057 58.000 -0.182 0.000 1.272 51 F CB 0.407 39.284 39.000 -0.205 0.000 1.060 51 F HN 0.051 nan 8.300 nan 0.000 0.576 52 A N 0.557 123.364 122.820 -0.022 0.000 1.902 52 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 52 A C 2.459 179.991 177.584 -0.086 0.000 1.181 52 A CA 1.901 53.908 52.037 -0.050 0.000 0.623 52 A CB -1.035 17.939 19.000 -0.042 0.000 0.818 52 A HN 0.292 nan 8.150 nan 0.000 0.443 53 A N -0.979 121.791 122.820 -0.085 0.000 1.933 53 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 53 A C 2.202 179.613 177.584 -0.287 0.000 1.175 53 A CA 1.829 53.810 52.037 -0.093 0.000 0.628 53 A CB -0.560 18.451 19.000 0.019 0.000 0.814 53 A HN 0.669 nan 8.150 nan 0.000 0.444 54 Q N -0.424 119.186 119.800 -0.317 0.000 2.079 54 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 54 Q C 1.984 177.786 176.000 -0.330 0.000 0.974 54 Q CA 1.731 57.255 55.803 -0.464 0.000 0.840 54 Q CB -0.151 28.506 28.738 -0.136 0.000 0.898 54 Q HN 0.415 nan 8.270 nan 0.000 0.430 55 V N 1.067 120.817 119.914 -0.273 0.000 2.358 55 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 55 V C 2.308 178.279 176.094 -0.205 0.000 1.047 55 V CA 1.963 64.061 62.300 -0.337 0.000 1.035 55 V CB -0.491 31.056 31.823 -0.460 0.000 0.658 55 V HN 0.342 nan 8.190 nan 0.000 0.452 56 K N 0.014 120.321 120.400 -0.154 0.000 2.044 56 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 56 K C 2.200 178.744 176.600 -0.094 0.000 1.049 56 K CA 1.688 57.920 56.287 -0.093 0.000 0.927 56 K CB -0.399 32.060 32.500 -0.070 0.000 0.713 56 K HN 0.460 nan 8.250 nan 0.000 0.443 57 A N 0.631 123.356 122.820 -0.159 0.000 2.024 57 A HA -0.118 4.202 4.320 -0.001 0.000 0.220 57 A C 2.158 179.700 177.584 -0.070 0.000 1.164 57 A CA 1.857 53.826 52.037 -0.114 0.000 0.643 57 A CB -0.580 18.288 19.000 -0.221 0.000 0.806 57 A HN 0.449 nan 8.150 nan 0.000 0.451 58 A N -2.170 120.590 122.820 -0.101 0.000 2.119 58 A HA 0.385 4.704 4.320 -0.001 0.000 0.216 58 A C 1.836 179.400 177.584 -0.034 0.000 1.152 58 A CA 1.459 53.458 52.037 -0.064 0.000 0.708 58 A CB -0.616 18.322 19.000 -0.104 0.000 0.805 58 A HN 1.823 nan 8.150 nan 0.000 0.460 59 G N -2.820 105.962 108.800 -0.029 0.000 2.192 59 G HA2 0.214 4.173 3.960 -0.001 0.000 0.193 59 G HA3 0.214 4.173 3.960 -0.001 0.000 0.193 59 G C 0.295 175.212 174.900 0.028 0.000 0.999 59 G CA 0.126 45.230 45.100 0.006 0.000 0.659 59 G HN 1.434 nan 8.290 nan 0.000 0.503 60 A N 0.038 122.870 122.820 0.020 0.000 2.279 60 A HA 0.809 5.128 4.320 -0.001 0.000 0.303 60 A C 0.452 178.084 177.584 0.079 0.000 1.108 60 A CA 0.474 52.562 52.037 0.084 0.000 0.830 60 A CB 0.756 19.836 19.000 0.132 0.000 1.106 60 A HN 0.639 nan 8.150 nan 0.000 0.493 61 T N 3.725 118.354 114.554 0.125 0.000 2.728 61 T HA 0.468 4.817 4.350 -0.001 0.000 0.296 61 T C -2.565 172.219 174.700 0.140 0.000 0.940 61 T CA -0.673 61.486 62.100 0.098 0.000 1.013 61 T CB 0.650 69.566 68.868 0.079 0.000 0.912 61 T HN 0.411 nan 8.240 nan 0.000 0.484 62 P HA 0.210 nan 4.420 nan 0.000 0.271 62 P C -0.824 176.536 177.300 0.100 0.000 1.216 62 P CA -0.375 62.793 63.100 0.112 0.000 0.771 62 P CB 0.500 32.222 31.700 0.038 0.000 0.864 63 V N 5.072 125.073 119.914 0.146 0.000 2.293 63 V HA 0.137 4.256 4.120 -0.001 0.000 0.275 63 V C 0.261 176.414 176.094 0.099 0.000 1.021 63 V CA -0.616 61.730 62.300 0.077 0.000 0.815 63 V CB 1.367 33.212 31.823 0.037 0.000 1.025 63 V HN 0.252 nan 8.190 nan 0.000 0.448 64 V N 6.749 126.686 119.914 0.038 0.000 2.461 64 V HA 0.403 4.523 4.120 -0.001 0.000 0.275 64 V C -0.211 175.907 176.094 0.041 0.000 1.047 64 V CA -0.368 61.922 62.300 -0.016 0.000 0.955 64 V CB 0.778 32.578 31.823 -0.039 0.000 0.988 64 V HN 0.831 nan 8.190 nan 0.000 0.471 65 Y N 1.449 121.756 120.300 0.011 0.000 2.587 65 Y HA 0.769 5.319 4.550 -0.001 0.000 0.337 65 Y C -0.481 175.419 175.900 -0.000 0.000 1.065 65 Y CA -2.123 55.974 58.100 -0.005 0.000 1.126 65 Y CB 1.047 39.494 38.460 -0.022 0.000 1.279 65 Y HN 0.569 nan 8.280 nan 0.000 0.489 66 D N 0.957 121.503 120.400 0.242 0.000 2.249 66 D HA 0.409 5.048 4.640 -0.001 0.000 0.246 66 D C -0.945 175.496 176.300 0.236 0.000 1.114 66 D CA -0.032 54.051 54.000 0.140 0.000 0.854 66 D CB 1.232 42.077 40.800 0.076 0.000 1.132 66 D HN 0.693 nan 8.370 nan 0.000 0.461 67 S N 2.522 118.310 115.700 0.147 0.000 2.532 67 S HA 0.393 4.863 4.470 -0.001 0.000 0.301 67 S C 0.727 175.346 174.600 0.031 0.000 1.083 67 S CA -0.885 57.407 58.200 0.154 0.000 1.025 67 S CB 0.866 64.168 63.200 0.169 0.000 1.056 67 S HN 0.516 nan 8.310 nan 0.000 0.494 68 I N 1.981 122.548 120.570 -0.004 0.000 3.928 68 I HA 0.440 4.609 4.170 -0.001 0.000 0.335 68 I C -0.309 175.723 176.117 -0.142 0.000 1.325 68 I CA -0.304 60.956 61.300 -0.066 0.000 1.107 68 I CB -0.049 37.912 38.000 -0.064 0.000 1.014 68 I HN 0.331 nan 8.210 nan 0.000 0.400 69 L N 3.241 124.373 121.223 -0.152 0.000 2.452 69 L HA 0.336 4.675 4.340 -0.001 0.000 0.267 69 L C -1.934 174.681 176.870 -0.425 0.000 1.188 69 L CA -1.695 52.943 54.840 -0.336 0.000 0.821 69 L CB -0.011 41.923 42.059 -0.209 0.000 1.102 69 L HN -0.015 nan 8.230 nan 0.000 0.470 70 P HA 0.077 nan 4.420 nan 0.000 0.271 70 P C -1.058 175.976 177.300 -0.442 0.000 1.233 70 P CA -0.130 62.618 63.100 -0.587 0.000 0.764 70 P CB 0.297 31.522 31.700 -0.792 0.000 0.825 71 K N 1.740 122.004 120.400 -0.228 0.000 2.379 71 K HA 0.031 4.350 4.320 -0.001 0.000 0.284 71 K C 1.515 178.054 176.600 -0.101 0.000 1.044 71 K CA -0.027 56.186 56.287 -0.122 0.000 0.974 71 K CB 0.721 33.150 32.500 -0.117 0.000 0.962 71 K HN 0.401 nan 8.250 nan 0.000 0.474 72 E N 0.266 120.463 120.200 -0.005 0.000 2.338 72 E HA -0.151 4.198 4.350 -0.001 0.000 0.197 72 E C 1.465 177.955 176.600 -0.185 0.000 1.007 72 E CA 1.263 57.662 56.400 -0.002 0.000 0.849 72 E CB -0.410 29.401 29.700 0.186 0.000 0.774 72 E HN 0.686 nan 8.360 nan 0.000 0.506 73 S N -0.166 115.407 115.700 -0.211 0.000 2.496 73 S HA 0.032 4.501 4.470 -0.001 0.000 0.224 73 S C 0.922 175.377 174.600 -0.243 0.000 0.996 73 S CA 0.285 58.328 58.200 -0.261 0.000 0.927 73 S CB -0.463 62.582 63.200 -0.259 0.000 0.774 73 S HN 0.344 nan 8.310 nan 0.000 0.524 74 N N 3.059 121.631 118.700 -0.214 0.000 2.439 74 N HA 0.345 5.085 4.740 -0.001 0.000 0.249 74 N C -2.135 173.256 175.510 -0.198 0.000 1.003 74 N CA -2.317 50.629 53.050 -0.173 0.000 0.942 74 N CB 1.698 40.112 38.487 -0.120 0.000 1.115 74 N HN 0.065 nan 8.380 nan 0.000 0.505 75 P HA 0.030 nan 4.420 nan 0.000 0.245 75 P C 0.046 177.442 177.300 0.160 0.000 1.212 75 P CA 0.731 63.721 63.100 -0.183 0.000 0.774 75 P CB 0.426 32.044 31.700 -0.137 0.000 0.999 76 E N 0.310 120.551 120.200 0.070 0.000 2.478 76 E HA 0.002 4.351 4.350 -0.001 0.000 0.194 76 E C 0.632 177.281 176.600 0.081 0.000 1.045 76 E CA 0.270 56.715 56.400 0.076 0.000 0.868 76 E CB 0.236 29.946 29.700 0.017 0.000 0.885 76 E HN 0.587 nan 8.360 nan 0.000 0.505 77 E N 0.144 120.412 120.200 0.114 0.000 2.383 77 E HA 0.509 4.858 4.350 -0.001 0.000 0.275 77 E C -0.894 175.773 176.600 0.112 0.000 0.918 77 E CA -0.941 55.486 56.400 0.045 0.000 0.764 77 E CB 1.966 31.629 29.700 -0.061 0.000 1.252 77 E HN -0.015 nan 8.360 nan 0.000 0.449 78 S N 0.194 115.890 115.700 -0.007 0.000 2.638 78 S HA 0.512 4.981 4.470 -0.001 0.000 0.274 78 S C -1.166 173.366 174.600 -0.114 0.000 1.157 78 S CA -1.118 57.078 58.200 -0.007 0.000 0.826 78 S CB 0.327 63.510 63.200 -0.028 0.000 1.139 78 S HN 0.588 nan 8.310 nan 0.000 0.474 79 W N 2.159 123.421 121.300 -0.063 0.000 2.150 79 W HA 0.434 5.093 4.660 -0.001 0.000 0.341 79 W C -1.969 174.612 176.519 0.103 0.000 1.276 79 W CA -0.964 56.358 57.345 -0.037 0.000 1.238 79 W CB 0.209 29.596 29.460 -0.123 0.000 1.128 79 W HN 0.507 nan 8.180 nan 0.000 0.581 80 P HA 0.089 nan 4.420 nan 0.000 0.276 80 P C -0.297 177.249 177.300 0.410 0.000 1.252 80 P CA 0.029 63.305 63.100 0.292 0.000 0.802 80 P CB 1.069 32.869 31.700 0.168 0.000 1.035 81 E N -0.577 119.764 120.200 0.235 0.000 2.385 81 E HA -0.015 4.334 4.350 -0.001 0.000 0.194 81 E C 0.254 176.878 176.600 0.040 0.000 1.013 81 E CA 0.366 56.798 56.400 0.054 0.000 0.866 81 E CB 0.185 29.840 29.700 -0.075 0.000 0.832 81 E HN 0.594 nan 8.360 nan 0.000 0.500 82 D N 0.254 120.699 120.400 0.075 0.000 2.163 82 D HA -0.022 4.617 4.640 -0.001 0.000 0.248 82 D C 0.570 176.909 176.300 0.065 0.000 1.035 82 D CA -0.347 53.685 54.000 0.052 0.000 0.872 82 D CB 2.075 42.898 40.800 0.040 0.000 1.183 82 D HN -0.126 nan 8.370 nan 0.000 0.445 83 Q N 0.906 120.743 119.800 0.061 0.000 2.084 83 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 83 Q C 1.885 177.890 176.000 0.009 0.000 0.978 83 Q CA 1.915 57.760 55.803 0.070 0.000 0.844 83 Q CB 0.095 28.885 28.738 0.087 0.000 0.898 83 Q HN 0.576 nan 8.270 nan 0.000 0.426 84 E N -0.317 119.878 120.200 -0.009 0.000 2.049 84 E HA -0.203 4.146 4.350 -0.001 0.000 0.198 84 E C 2.011 178.546 176.600 -0.108 0.000 1.007 84 E CA 1.754 58.109 56.400 -0.074 0.000 0.809 84 E CB -0.653 29.047 29.700 -0.001 0.000 0.749 84 E HN 0.641 nan 8.360 nan 0.000 0.450 85 S N -0.016 115.665 115.700 -0.032 0.000 2.368 85 S HA -0.031 4.439 4.470 -0.001 0.000 0.225 85 S C 2.221 176.790 174.600 -0.052 0.000 1.030 85 S CA 1.120 59.306 58.200 -0.024 0.000 0.999 85 S CB -0.605 62.605 63.200 0.016 0.000 0.844 85 S HN 0.690 nan 8.310 nan 0.000 0.459 86 A N 1.610 124.418 122.820 -0.020 0.000 1.902 86 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 86 A C 2.151 179.675 177.584 -0.101 0.000 1.181 86 A CA 1.415 53.420 52.037 -0.054 0.000 0.623 86 A CB -0.615 18.440 19.000 0.091 0.000 0.818 86 A HN 0.458 nan 8.150 nan 0.000 0.443 87 M N -0.617 118.959 119.600 -0.040 0.000 2.159 87 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 87 M C 2.308 178.591 176.300 -0.028 0.000 1.063 87 M CA 1.377 56.668 55.300 -0.014 0.000 1.110 87 M CB -0.639 31.661 32.600 -0.499 0.000 1.374 87 M HN 0.536 nan 8.290 nan 0.000 0.411 88 G N 0.513 109.224 108.800 -0.149 0.000 2.440 88 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 88 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 88 G C 1.386 176.317 174.900 0.052 0.000 1.154 88 G CA 0.627 45.792 45.100 0.109 0.000 0.767 88 G HN 0.285 nan 8.290 nan 0.000 0.552 89 L N -0.274 120.885 121.223 -0.107 0.000 2.012 89 L HA 0.088 4.427 4.340 -0.001 0.000 0.210 89 L C 2.534 179.258 176.870 -0.243 0.000 1.073 89 L CA 1.475 56.182 54.840 -0.222 0.000 0.748 89 L CB -0.675 41.163 42.059 -0.368 0.000 0.891 89 L HN 0.199 nan 8.230 nan 0.000 0.431 90 F N -1.567 118.282 119.950 -0.167 0.000 2.293 90 F HA -0.137 4.389 4.527 -0.001 0.000 0.300 90 F C 2.164 177.718 175.800 -0.410 0.000 1.086 90 F CA 0.867 58.588 58.000 -0.465 0.000 1.375 90 F CB -0.852 37.555 39.000 -0.988 0.000 1.045 90 F HN 0.113 nan 8.300 nan 0.000 0.516 91 L N 0.270 121.570 121.223 0.128 0.000 2.005 91 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 91 L C 1.932 178.766 176.870 -0.059 0.000 1.072 91 L CA 1.948 56.916 54.840 0.214 0.000 0.744 91 L CB -1.014 41.293 42.059 0.414 0.000 0.895 91 L HN -0.072 nan 8.230 nan 0.000 0.433 92 D N -0.556 119.832 120.400 -0.020 0.000 2.144 92 D HA -0.219 4.421 4.640 -0.001 0.000 0.199 92 D C 2.061 178.312 176.300 -0.083 0.000 0.984 92 D CA 1.354 55.322 54.000 -0.054 0.000 0.834 92 D CB 0.081 40.862 40.800 -0.031 0.000 0.955 92 D HN 0.517 nan 8.370 nan 0.000 0.465 93 E N 0.940 121.089 120.200 -0.085 0.000 2.072 93 E HA -0.098 4.252 4.350 -0.001 0.000 0.191 93 E C 1.932 178.457 176.600 -0.125 0.000 0.985 93 E CA 1.363 57.715 56.400 -0.079 0.000 0.801 93 E CB -0.210 29.470 29.700 -0.035 0.000 0.750 93 E HN 0.137 nan 8.360 nan 0.000 0.452 94 A N 0.257 122.979 122.820 -0.165 0.000 1.908 94 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 94 A C 2.499 179.955 177.584 -0.213 0.000 1.181 94 A CA 1.724 53.638 52.037 -0.204 0.000 0.627 94 A CB -0.929 17.923 19.000 -0.247 0.000 0.818 94 A HN 0.221 nan 8.150 nan 0.000 0.445 95 V N -0.350 119.400 119.914 -0.272 0.000 2.332 95 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 95 V C 2.660 178.746 176.094 -0.013 0.000 1.055 95 V CA 2.464 64.721 62.300 -0.072 0.000 1.038 95 V CB -0.706 31.090 31.823 -0.045 0.000 0.651 95 V HN 0.636 nan 8.190 nan 0.000 0.450 96 R N -0.946 119.523 120.500 -0.051 0.000 2.161 96 R HA 0.003 4.342 4.340 -0.001 0.000 0.213 96 R C 2.015 178.278 176.300 -0.061 0.000 1.055 96 R CA 0.741 56.822 56.100 -0.033 0.000 0.996 96 R CB 0.130 30.415 30.300 -0.026 0.000 0.901 96 R HN 0.405 nan 8.270 nan 0.000 0.456 97 V N 0.797 120.631 119.914 -0.134 0.000 2.599 97 V HA -0.140 3.979 4.120 -0.001 0.000 0.245 97 V C 2.029 177.995 176.094 -0.212 0.000 1.046 97 V CA 0.785 62.931 62.300 -0.256 0.000 1.065 97 V CB -0.232 31.280 31.823 -0.518 0.000 0.703 97 V HN 0.270 nan 8.190 nan 0.000 0.464 98 L N 2.240 123.377 121.223 -0.143 0.000 1.991 98 L HA -0.160 4.179 4.340 -0.001 0.000 0.221 98 L C 0.063 176.887 176.870 -0.077 0.000 1.079 98 L CA 2.864 57.635 54.840 -0.114 0.000 0.778 98 L CB -1.746 40.259 42.059 -0.090 0.000 0.893 98 L HN 0.278 nan 8.230 nan 0.000 0.437 99 P HA -0.181 nan 4.420 nan 0.000 0.221 99 P C 1.413 178.730 177.300 0.028 0.000 1.150 99 P CA 1.459 64.567 63.100 0.012 0.000 0.800 99 P CB -0.131 31.587 31.700 0.029 0.000 0.787 100 Q N -0.293 119.508 119.800 0.002 0.000 2.084 100 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 100 Q C 2.413 178.442 176.000 0.048 0.000 0.978 100 Q CA 1.163 56.980 55.803 0.024 0.000 0.844 100 Q CB -0.512 28.239 28.738 0.021 0.000 0.898 100 Q HN 0.311 nan 8.270 nan 0.000 0.426 101 L N 0.132 121.365 121.223 0.018 0.000 2.109 101 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 101 L C 2.340 179.423 176.870 0.356 0.000 1.086 101 L CA 0.857 55.779 54.840 0.137 0.000 0.760 101 L CB -0.314 41.694 42.059 -0.086 0.000 0.910 101 L HN 0.278 nan 8.230 nan 0.000 0.437 102 E N 0.547 120.890 120.200 0.239 0.000 2.077 102 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 102 E C 1.685 178.474 176.600 0.315 0.000 0.989 102 E CA 1.677 58.284 56.400 0.345 0.000 0.800 102 E CB 0.139 29.939 29.700 0.166 0.000 0.746 102 E HN 0.403 nan 8.360 nan 0.000 0.452 103 D N -0.502 120.009 120.400 0.186 0.000 2.117 103 D HA -0.110 4.530 4.640 -0.001 0.000 0.198 103 D C 1.831 178.197 176.300 0.110 0.000 0.982 103 D CA 1.457 55.535 54.000 0.130 0.000 0.828 103 D CB -0.054 40.795 40.800 0.081 0.000 0.967 103 D HN 0.235 nan 8.370 nan 0.000 0.464 104 A N -0.633 122.240 122.820 0.089 0.000 1.902 104 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 104 A C 1.498 179.026 177.584 -0.093 0.000 1.181 104 A CA 1.183 53.195 52.037 -0.043 0.000 0.623 104 A CB -0.899 18.020 19.000 -0.135 0.000 0.818 104 A HN 0.456 nan 8.150 nan 0.000 0.443 105 Y N -0.716 119.676 120.300 0.154 0.000 2.468 105 Y HA 0.400 4.949 4.550 -0.001 0.000 0.268 105 Y C 2.318 178.203 175.900 -0.026 0.000 1.177 105 Y CA -0.271 57.874 58.100 0.074 0.000 1.265 105 Y CB -0.335 38.174 38.460 0.082 0.000 1.103 105 Y HN 0.333 nan 8.280 nan 0.000 0.522 106 A N -0.012 122.907 122.820 0.166 0.000 1.917 106 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 106 A C 1.666 179.267 177.584 0.029 0.000 1.182 106 A CA 2.299 54.402 52.037 0.111 0.000 0.633 106 A CB -0.327 18.740 19.000 0.111 0.000 0.819 106 A HN 0.289 nan 8.150 nan 0.000 0.448 107 D N -1.454 118.963 120.400 0.029 0.000 2.349 107 D HA 0.134 4.773 4.640 -0.001 0.000 0.214 107 D C -0.418 175.889 176.300 0.010 0.000 1.063 107 D CA 0.431 54.438 54.000 0.012 0.000 0.847 107 D CB 0.457 41.266 40.800 0.015 0.000 0.933 107 D HN 0.416 nan 8.370 nan 0.000 0.513 108 D N 0.306 120.723 120.400 0.028 0.000 3.220 108 D HA 0.061 4.700 4.640 -0.001 0.000 0.309 108 D C -0.473 175.907 176.300 0.133 0.000 1.276 108 D CA -0.399 53.658 54.000 0.095 0.000 0.736 108 D CB 0.193 41.069 40.800 0.126 0.000 1.304 108 D HN -0.201 nan 8.370 nan 0.000 0.582 109 R N 1.608 122.025 120.500 -0.138 0.000 2.570 109 R HA 0.267 4.606 4.340 -0.001 0.000 0.277 109 R C -1.926 174.178 176.300 -0.326 0.000 1.039 109 R CA -0.895 54.904 56.100 -0.501 0.000 1.065 109 R CB 0.317 30.140 30.300 -0.796 0.000 0.964 109 R HN 0.266 nan 8.270 nan 0.000 0.428 110 P HA 0.000 nan 4.420 nan 0.000 0.274 110 P C -0.524 176.601 177.300 -0.292 0.000 1.246 110 P CA -0.217 62.499 63.100 -0.640 0.000 0.795 110 P CB 0.725 31.981 31.700 -0.740 0.000 1.006 111 D N -0.490 119.801 120.400 -0.183 0.000 2.333 111 D HA 0.105 4.744 4.640 -0.001 0.000 0.208 111 D C 0.412 176.655 176.300 -0.094 0.000 0.984 111 D CA 0.973 54.919 54.000 -0.090 0.000 0.873 111 D CB 0.250 41.031 40.800 -0.032 0.000 0.935 111 D HN 0.138 nan 8.370 nan 0.000 0.521 112 L N 0.277 121.415 121.223 -0.142 0.000 2.545 112 L HA 0.394 4.733 4.340 -0.001 0.000 0.258 112 L C -1.997 174.748 176.870 -0.208 0.000 0.942 112 L CA -0.593 54.162 54.840 -0.143 0.000 0.855 112 L CB 2.256 44.222 42.059 -0.155 0.000 1.374 112 L HN -0.259 nan 8.230 nan 0.000 0.411 113 I N 4.599 125.045 120.570 -0.207 0.000 2.378 113 I HA 0.557 4.726 4.170 -0.001 0.000 0.291 113 I C -0.791 175.152 176.117 -0.291 0.000 0.992 113 I CA -0.987 60.104 61.300 -0.348 0.000 1.154 113 I CB 1.992 39.665 38.000 -0.545 0.000 1.315 113 I HN 0.293 nan 8.210 nan 0.000 0.448 114 V N 7.275 126.902 119.914 -0.477 0.000 2.370 114 V HA 0.390 4.510 4.120 -0.001 0.000 0.283 114 V C -0.852 175.054 176.094 -0.314 0.000 1.023 114 V CA -0.612 61.374 62.300 -0.524 0.000 0.857 114 V CB 0.994 32.146 31.823 -1.118 0.000 0.985 114 V HN 0.609 nan 8.190 nan 0.000 0.443 115 Y N 1.147 121.290 120.300 -0.261 0.000 2.477 115 Y HA 0.776 5.326 4.550 -0.001 0.000 0.347 115 Y C -0.438 175.442 175.900 -0.033 0.000 0.981 115 Y CA -1.528 56.502 58.100 -0.118 0.000 1.033 115 Y CB 1.262 39.643 38.460 -0.131 0.000 1.245 115 Y HN 0.608 nan 8.280 nan 0.000 0.455 116 D N 2.537 122.996 120.400 0.098 0.000 2.368 116 D HA 0.069 4.708 4.640 -0.001 0.000 0.240 116 D C 1.448 177.786 176.300 0.062 0.000 1.169 116 D CA 0.134 54.164 54.000 0.049 0.000 0.906 116 D CB 0.923 41.807 40.800 0.140 0.000 1.187 116 D HN 0.715 nan 8.370 nan 0.000 0.435 117 I N -0.335 120.242 120.570 0.011 0.000 2.315 117 I HA -0.149 4.020 4.170 -0.001 0.000 0.251 117 I C 1.511 177.686 176.117 0.097 0.000 1.125 117 I CA 1.471 62.798 61.300 0.045 0.000 1.392 117 I CB -0.396 37.604 38.000 -0.000 0.000 1.065 117 I HN 0.256 nan 8.210 nan 0.000 0.424 118 A N 0.220 122.942 122.820 -0.162 0.000 2.345 118 A HA 0.319 4.639 4.320 -0.001 0.000 0.225 118 A C 1.287 178.493 177.584 -0.630 0.000 1.243 118 A CA -0.105 51.483 52.037 -0.747 0.000 0.875 118 A CB -0.152 17.909 19.000 -1.566 0.000 0.929 118 A HN 0.349 nan 8.150 nan 0.000 0.502 119 S N 0.972 116.634 115.700 -0.064 0.000 3.965 119 S HA 0.087 4.556 4.470 -0.001 0.000 0.195 119 S C 0.316 175.070 174.600 0.258 0.000 1.449 119 S CA -0.669 57.585 58.200 0.090 0.000 0.965 119 S CB -0.575 62.787 63.200 0.270 0.000 1.459 119 S HN 0.653 nan 8.310 nan 0.000 0.476 120 W N 1.734 123.089 121.300 0.092 0.000 2.465 120 W HA 0.075 4.734 4.660 -0.001 0.000 0.268 120 W C -1.465 175.158 176.519 0.174 0.000 1.242 120 W CA -0.481 56.985 57.345 0.200 0.000 1.248 120 W CB -2.294 27.373 29.460 0.345 0.000 1.118 120 W HN 0.460 nan 8.180 nan 0.000 0.587 121 P HA -0.115 nan 4.420 nan 0.000 0.222 121 P C 1.746 179.053 177.300 0.013 0.000 1.147 121 P CA 2.628 65.812 63.100 0.139 0.000 0.790 121 P CB -0.159 31.563 31.700 0.037 0.000 0.780 122 A N 0.605 123.395 122.820 -0.051 0.000 1.858 122 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 122 A C -0.083 176.963 177.584 -0.897 0.000 1.190 122 A CA 1.901 53.609 52.037 -0.548 0.000 0.617 122 A CB -2.238 16.245 19.000 -0.862 0.000 0.827 122 A HN 0.211 nan 8.150 nan 0.000 0.443 123 P HA -0.053 nan 4.420 nan 0.000 0.220 123 P C 1.524 178.344 177.300 -0.799 0.000 1.148 123 P CA 0.934 63.306 63.100 -1.215 0.000 0.803 123 P CB -0.109 31.297 31.700 -0.491 0.000 0.782 124 V N -0.350 119.287 119.914 -0.461 0.000 2.270 124 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 124 V C 2.420 178.206 176.094 -0.513 0.000 1.043 124 V CA 1.691 63.751 62.300 -0.400 0.000 1.014 124 V CB -1.179 30.442 31.823 -0.336 0.000 0.645 124 V HN 0.059 nan 8.190 nan 0.000 0.447 125 L N 0.243 121.089 121.223 -0.627 0.000 2.156 125 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 125 L C 2.656 179.029 176.870 -0.829 0.000 1.095 125 L CA 1.383 55.646 54.840 -0.962 0.000 0.770 125 L CB -1.130 40.189 42.059 -1.233 0.000 0.914 125 L HN 0.466 nan 8.230 nan 0.000 0.439 126 G N -0.042 108.338 108.800 -0.701 0.000 2.440 126 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 126 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 126 G C 1.763 176.553 174.900 -0.183 0.000 1.154 126 G CA 0.764 45.623 45.100 -0.402 0.000 0.767 126 G HN 0.241 nan 8.290 nan 0.000 0.552 127 R N 0.318 120.621 120.500 -0.329 0.000 2.066 127 R HA 0.014 4.353 4.340 -0.001 0.000 0.232 127 R C 2.542 178.784 176.300 -0.096 0.000 1.131 127 R CA 1.616 57.644 56.100 -0.120 0.000 0.955 127 R CB -0.277 29.929 30.300 -0.157 0.000 0.851 127 R HN 0.345 nan 8.270 nan 0.000 0.432 128 K N -0.543 119.733 120.400 -0.206 0.000 2.063 128 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 128 K C 1.259 177.891 176.600 0.052 0.000 1.048 128 K CA 1.459 57.660 56.287 -0.144 0.000 0.928 128 K CB -0.033 32.286 32.500 -0.302 0.000 0.713 128 K HN 0.271 nan 8.250 nan 0.000 0.442 129 W N 1.272 122.542 121.300 -0.050 0.000 3.139 129 W HA 0.091 4.750 4.660 -0.001 0.000 0.260 129 W C -0.003 176.501 176.519 -0.024 0.000 1.312 129 W CA 0.049 57.372 57.345 -0.037 0.000 1.606 129 W CB -0.682 28.743 29.460 -0.058 0.000 1.118 129 W HN 0.276 nan 8.180 nan 0.000 0.675 130 D N 1.055 121.561 120.400 0.177 0.000 2.697 130 D HA -0.211 4.428 4.640 -0.001 0.000 0.238 130 D C -0.297 176.075 176.300 0.120 0.000 1.152 130 D CA 0.856 54.928 54.000 0.121 0.000 0.666 130 D CB -1.292 39.559 40.800 0.084 0.000 1.037 130 D HN 0.330 nan 8.370 nan 0.000 0.423 131 I N -3.689 116.975 120.570 0.156 0.000 2.785 131 I HA 0.774 4.943 4.170 -0.001 0.000 0.302 131 I C -2.440 173.763 176.117 0.144 0.000 1.069 131 I CA -2.469 58.900 61.300 0.115 0.000 1.045 131 I CB 2.405 40.467 38.000 0.104 0.000 1.236 131 I HN -0.265 nan 8.210 nan 0.000 0.429 132 P HA 0.213 nan 4.420 nan 0.000 0.271 132 P C -1.253 176.072 177.300 0.042 0.000 1.218 132 P CA 0.300 63.372 63.100 -0.047 0.000 0.780 132 P CB 0.178 31.812 31.700 -0.109 0.000 0.901 133 F N 0.014 119.901 119.950 -0.105 0.000 2.557 133 F HA 0.670 5.197 4.527 -0.001 0.000 0.316 133 F C -1.230 174.589 175.800 0.032 0.000 1.141 133 F CA -1.418 56.533 58.000 -0.081 0.000 0.922 133 F CB 1.299 40.189 39.000 -0.182 0.000 1.194 133 F HN -0.050 nan 8.300 nan 0.000 0.443 134 V N 3.420 123.380 119.914 0.077 0.000 2.531 134 V HA 0.352 4.471 4.120 -0.001 0.000 0.301 134 V C -0.437 175.416 176.094 -0.402 0.000 1.034 134 V CA -0.679 61.528 62.300 -0.154 0.000 0.865 134 V CB 1.638 33.328 31.823 -0.221 0.000 0.995 134 V HN 0.940 nan 8.190 nan 0.000 0.424 135 Q N 2.878 122.292 119.800 -0.644 0.000 2.327 135 Q HA 0.479 4.818 4.340 -0.001 0.000 0.254 135 Q C -1.216 174.461 176.000 -0.539 0.000 0.952 135 Q CA -0.578 54.607 55.803 -1.031 0.000 0.884 135 Q CB 1.441 29.691 28.738 -0.813 0.000 1.224 135 Q HN 0.626 nan 8.270 nan 0.000 0.422 136 L N 3.151 124.103 121.223 -0.451 0.000 2.298 136 L HA 0.389 4.728 4.340 -0.001 0.000 0.284 136 L C -1.018 175.746 176.870 -0.177 0.000 1.013 136 L CA 0.177 54.880 54.840 -0.228 0.000 0.824 136 L CB 1.734 43.725 42.059 -0.113 0.000 1.221 136 L HN 0.510 nan 8.230 nan 0.000 0.418 137 S N 6.497 122.110 115.700 -0.146 0.000 2.429 137 S HA 0.583 5.052 4.470 -0.001 0.000 0.302 137 S C -1.773 172.771 174.600 -0.093 0.000 1.115 137 S CA -1.269 56.859 58.200 -0.120 0.000 1.095 137 S CB 1.007 64.146 63.200 -0.101 0.000 0.987 137 S HN 0.649 nan 8.310 nan 0.000 0.474 138 P HA 0.142 nan 4.420 nan 0.000 0.249 138 P C 0.437 177.671 177.300 -0.110 0.000 1.229 138 P CA 0.279 63.309 63.100 -0.117 0.000 0.788 138 P CB 0.280 31.850 31.700 -0.215 0.000 1.072 139 T N -0.842 113.633 114.554 -0.132 0.000 2.716 139 T HA 0.530 4.879 4.350 -0.001 0.000 0.286 139 T C -0.853 173.823 174.700 -0.040 0.000 1.052 139 T CA -1.019 61.004 62.100 -0.128 0.000 1.024 139 T CB 0.329 69.010 68.868 -0.312 0.000 1.349 139 T HN -0.101 nan 8.240 nan 0.000 0.525 140 F N 1.669 121.688 119.950 0.116 0.000 2.545 140 F HA 0.572 5.098 4.527 -0.001 0.000 0.348 140 F C 0.369 176.195 175.800 0.044 0.000 1.163 140 F CA -0.932 57.156 58.000 0.146 0.000 1.331 140 F CB -0.132 38.989 39.000 0.201 0.000 1.138 140 F HN 0.317 nan 8.300 nan 0.000 0.602 141 V N -0.431 119.636 119.914 0.256 0.000 3.193 141 V HA 0.866 4.985 4.120 -0.001 0.000 0.320 141 V C 0.179 176.170 176.094 -0.172 0.000 1.112 141 V CA -1.116 61.149 62.300 -0.059 0.000 1.026 141 V CB 0.834 32.510 31.823 -0.246 0.000 1.128 141 V HN 1.273 nan 8.190 nan 0.000 0.452 142 A N 1.701 124.226 122.820 -0.493 0.000 2.451 142 A HA 0.574 4.893 4.320 -0.001 0.000 0.266 142 A C -0.276 177.131 177.584 -0.296 0.000 1.119 142 A CA -0.140 51.451 52.037 -0.744 0.000 0.786 142 A CB -0.949 17.697 19.000 -0.591 0.000 1.061 142 A HN 1.213 nan 8.150 nan 0.000 0.503 143 Y N 0.461 120.757 120.300 -0.008 0.000 2.565 143 Y HA 0.604 5.154 4.550 -0.001 0.000 0.325 143 Y C 0.514 176.471 175.900 0.095 0.000 1.221 143 Y CA -1.576 56.538 58.100 0.023 0.000 1.316 143 Y CB 0.386 38.863 38.460 0.028 0.000 1.404 143 Y HN 0.685 nan 8.280 nan 0.000 0.527 144 E N 0.521 120.876 120.200 0.259 0.000 2.493 144 E HA 0.246 4.595 4.350 -0.001 0.000 0.255 144 E C 0.788 177.511 176.600 0.205 0.000 0.999 144 E CA 1.180 57.685 56.400 0.174 0.000 0.934 144 E CB -0.381 29.402 29.700 0.139 0.000 0.940 144 E HN 1.049 nan 8.360 nan 0.000 0.473 145 G N 4.383 113.246 108.800 0.104 0.000 2.157 145 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.248 145 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.248 145 G C 0.364 175.265 174.900 0.003 0.000 0.979 145 G CA 0.196 45.345 45.100 0.081 0.000 0.650 145 G HN 0.691 nan 8.290 nan 0.000 0.529 146 F N 2.218 121.958 119.950 -0.349 0.000 2.087 146 F HA -0.198 4.328 4.527 -0.001 0.000 0.299 146 F C 2.588 178.275 175.800 -0.188 0.000 1.100 146 F CA 2.816 60.477 58.000 -0.565 0.000 1.226 146 F CB -0.146 38.471 39.000 -0.638 0.000 0.983 146 F HN 0.557 nan 8.300 nan 0.000 0.479 147 E N -0.833 119.326 120.200 -0.068 0.000 2.265 147 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 147 E C 1.650 178.171 176.600 -0.132 0.000 0.996 147 E CA 1.314 57.657 56.400 -0.095 0.000 0.832 147 E CB -0.491 29.239 29.700 0.051 0.000 0.756 147 E HN 0.466 nan 8.360 nan 0.000 0.491 148 E N 1.213 121.352 120.200 -0.102 0.000 2.112 148 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 148 E C 1.407 177.949 176.600 -0.096 0.000 0.979 148 E CA 0.857 57.215 56.400 -0.070 0.000 0.814 148 E CB -0.081 29.605 29.700 -0.023 0.000 0.762 148 E HN 0.383 nan 8.360 nan 0.000 0.460 149 D N 0.172 120.484 120.400 -0.145 0.000 2.234 149 D HA -0.044 4.595 4.640 -0.001 0.000 0.205 149 D C 0.422 176.597 176.300 -0.209 0.000 0.962 149 D CA 0.546 54.468 54.000 -0.130 0.000 0.855 149 D CB 0.538 41.311 40.800 -0.044 0.000 0.951 149 D HN -0.056 nan 8.370 nan 0.000 0.500 150 V N 2.703 122.383 119.914 -0.390 0.000 2.320 150 V HA 0.134 4.253 4.120 -0.001 0.000 0.257 150 V C -1.796 174.179 176.094 -0.199 0.000 0.996 150 V CA -0.865 61.225 62.300 -0.350 0.000 0.928 150 V CB 1.713 33.143 31.823 -0.656 0.000 1.169 150 V HN -0.023 nan 8.190 nan 0.000 0.475 151 P HA -0.055 nan 4.420 nan 0.000 0.230 151 P C 1.471 178.791 177.300 0.033 0.000 1.158 151 P CA 0.963 64.043 63.100 -0.035 0.000 0.769 151 P CB 0.492 32.177 31.700 -0.025 0.000 0.807 152 A N 0.776 123.632 122.820 0.061 0.000 2.076 152 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 152 A C 2.150 179.903 177.584 0.281 0.000 1.160 152 A CA 1.878 54.004 52.037 0.149 0.000 0.653 152 A CB -1.512 17.560 19.000 0.120 0.000 0.801 152 A HN 0.247 nan 8.150 nan 0.000 0.455 153 V N -2.684 117.377 119.914 0.245 0.000 3.461 153 V HA 0.027 4.147 4.120 -0.001 0.000 0.267 153 V C 0.597 176.891 176.094 0.334 0.000 1.186 153 V CA 0.245 62.779 62.300 0.390 0.000 1.154 153 V CB -0.974 31.059 31.823 0.350 0.000 0.802 153 V HN 0.575 nan 8.190 nan 0.000 0.474 154 Q N 1.940 121.806 119.800 0.109 0.000 2.296 154 Q HA 0.212 4.552 4.340 -0.001 0.000 0.262 154 Q C -0.485 175.246 176.000 -0.448 0.000 0.981 154 Q CA -0.262 55.489 55.803 -0.086 0.000 0.905 154 Q CB 1.048 29.748 28.738 -0.064 0.000 1.186 154 Q HN 0.402 nan 8.270 nan 0.000 0.399 155 D N 4.329 124.311 120.400 -0.696 0.000 2.346 155 D HA 0.037 4.676 4.640 -0.001 0.000 0.260 155 D C -1.480 174.489 176.300 -0.551 0.000 1.252 155 D CA -1.729 51.547 54.000 -1.206 0.000 0.895 155 D CB 1.057 41.441 40.800 -0.694 0.000 1.097 155 D HN 0.335 nan 8.370 nan 0.000 0.489 156 P HA -0.002 nan 4.420 nan 0.000 0.241 156 P C 0.547 177.788 177.300 -0.098 0.000 1.191 156 P CA 0.201 63.204 63.100 -0.162 0.000 0.771 156 P CB 0.040 31.706 31.700 -0.057 0.000 0.929 180 E N 0.194 120.431 120.200 0.062 0.000 2.051 180 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 180 E C 1.748 178.398 176.600 0.084 0.000 0.991 180 E CA 2.722 59.163 56.400 0.068 0.000 0.799 180 E CB -1.775 nan 29.700 nan 0.000 0.748 180 E HN 1.107 nan 8.360 nan 0.000 0.449 181 D N 0.108 120.552 120.400 0.073 0.000 2.144 181 D HA 0.070 4.709 4.640 -0.001 0.000 0.199 181 D C 2.437 178.800 176.300 0.105 0.000 0.984 181 D CA 1.863 55.910 54.000 0.078 0.000 0.834 181 D CB -1.039 nan 40.800 nan 0.000 0.955 181 D HN 0.569 nan 8.370 nan 0.000 0.465 182 G N -0.221 108.642 108.800 0.105 0.000 2.442 182 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.219 182 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.219 182 G C 1.684 176.703 174.900 0.198 0.000 1.141 182 G CA 1.093 46.270 45.100 0.127 0.000 0.763 182 G HN 0.471 nan 8.290 nan 0.000 0.554 183 L N 0.446 121.799 121.223 0.216 0.000 2.109 183 L HA 0.116 4.455 4.340 -0.001 0.000 0.207 183 L C 2.963 180.096 176.870 0.438 0.000 1.086 183 L CA 0.927 55.980 54.840 0.355 0.000 0.760 183 L CB -0.245 42.001 42.059 0.311 0.000 0.910 183 L HN 0.080 nan 8.230 nan 0.000 0.437 184 V N -0.181 119.894 119.914 0.268 0.000 2.287 184 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 184 V C 2.738 178.958 176.094 0.210 0.000 1.053 184 V CA 2.162 64.593 62.300 0.217 0.000 1.027 184 V CB -0.695 31.203 31.823 0.124 0.000 0.646 184 V HN 0.499 nan 8.190 nan 0.000 0.447 185 R N -0.653 119.959 120.500 0.185 0.000 2.073 185 R HA -0.208 4.131 4.340 -0.001 0.000 0.234 185 R C 2.298 178.696 176.300 0.163 0.000 1.134 185 R CA 2.112 58.300 56.100 0.147 0.000 0.952 185 R CB -0.456 29.922 30.300 0.130 0.000 0.850 185 R HN 0.472 nan 8.270 nan 0.000 0.433 186 F N 0.553 120.555 119.950 0.087 0.000 2.069 186 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 186 F C 1.617 177.399 175.800 -0.030 0.000 1.113 186 F CA 1.623 59.633 58.000 0.016 0.000 1.214 186 F CB -0.638 38.348 39.000 -0.023 0.000 0.978 186 F HN -0.033 nan 8.300 nan 0.000 0.474 187 F N 0.674 120.548 119.950 -0.126 0.000 2.171 187 F HA -0.187 4.339 4.527 -0.001 0.000 0.300 187 F C 2.541 178.214 175.800 -0.212 0.000 1.090 187 F CA 1.946 59.791 58.000 -0.259 0.000 1.293 187 F CB -1.181 37.810 39.000 -0.015 0.000 1.013 187 F HN -0.070 nan 8.300 nan 0.000 0.486 188 T N -0.297 114.292 114.554 0.057 0.000 2.684 188 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 188 T C 2.038 176.707 174.700 -0.053 0.000 1.036 188 T CA 1.497 63.605 62.100 0.014 0.000 1.148 188 T CB -0.257 68.635 68.868 0.039 0.000 0.863 188 T HN 0.216 nan 8.240 nan 0.000 0.436 189 R N 0.095 120.536 120.500 -0.099 0.000 2.115 189 R HA 0.085 4.425 4.340 -0.001 0.000 0.226 189 R C 2.364 178.573 176.300 -0.151 0.000 1.100 189 R CA 0.655 56.700 56.100 -0.092 0.000 0.980 189 R CB -0.429 29.839 30.300 -0.054 0.000 0.875 189 R HN 0.229 nan 8.270 nan 0.000 0.445 190 L N 0.577 121.568 121.223 -0.387 0.000 2.027 190 L HA -0.081 4.258 4.340 -0.001 0.000 0.206 190 L C 1.925 178.677 176.870 -0.196 0.000 1.074 190 L CA 1.839 56.432 54.840 -0.411 0.000 0.745 190 L CB -0.518 41.012 42.059 -0.881 0.000 0.898 190 L HN -0.042 nan 8.230 nan 0.000 0.433 191 S N -0.019 115.582 115.700 -0.164 0.000 2.370 191 S HA -0.173 4.297 4.470 -0.001 0.000 0.226 191 S C 2.089 176.642 174.600 -0.078 0.000 1.033 191 S CA 1.166 59.307 58.200 -0.098 0.000 1.011 191 S CB -0.650 62.525 63.200 -0.041 0.000 0.852 191 S HN 0.687 nan 8.310 nan 0.000 0.457 192 A N 0.886 123.679 122.820 -0.046 0.000 1.902 192 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 192 A C 1.903 179.485 177.584 -0.004 0.000 1.181 192 A CA 1.440 53.460 52.037 -0.028 0.000 0.623 192 A CB -0.834 18.163 19.000 -0.004 0.000 0.818 192 A HN 0.520 nan 8.150 nan 0.000 0.443 193 F N 0.646 120.536 119.950 -0.100 0.000 2.102 193 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 193 F C 1.883 177.661 175.800 -0.036 0.000 1.105 193 F CA 1.735 59.721 58.000 -0.023 0.000 1.239 193 F CB -0.327 38.651 39.000 -0.036 0.000 0.991 193 F HN 0.141 nan 8.300 nan 0.000 0.474 194 L N 0.170 121.250 121.223 -0.238 0.000 1.994 194 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 194 L C 2.460 179.137 176.870 -0.322 0.000 1.071 194 L CA 1.935 56.526 54.840 -0.415 0.000 0.745 194 L CB -0.895 40.925 42.059 -0.398 0.000 0.892 194 L HN 0.161 nan 8.230 nan 0.000 0.431 195 E N -0.113 119.952 120.200 -0.225 0.000 2.085 195 E HA -0.296 4.053 4.350 -0.001 0.000 0.194 195 E C 2.068 178.530 176.600 -0.231 0.000 0.994 195 E CA 1.391 57.678 56.400 -0.187 0.000 0.801 195 E CB -0.109 29.512 29.700 -0.131 0.000 0.743 195 E HN 0.439 nan 8.360 nan 0.000 0.453 196 E N 0.354 120.380 120.200 -0.291 0.000 2.118 196 E HA -0.208 4.142 4.350 -0.001 0.000 0.195 196 E C 1.139 177.390 176.600 -0.581 0.000 0.992 196 E CA 1.003 57.148 56.400 -0.424 0.000 0.804 196 E CB 0.097 29.493 29.700 -0.506 0.000 0.741 196 E HN 0.379 nan 8.360 nan 0.000 0.458 197 H N -1.491 117.353 119.070 -0.376 0.000 2.507 197 H HA 0.209 4.764 4.556 -0.001 0.000 0.294 197 H C 0.818 175.958 175.328 -0.312 0.000 1.064 197 H CA 0.595 56.412 56.048 -0.385 0.000 1.138 197 H CB 0.938 30.341 29.762 -0.598 0.000 1.515 197 H HN 0.379 nan 8.280 nan 0.000 0.547 198 G N 1.176 109.860 108.800 -0.194 0.000 2.147 198 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 198 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 198 G C 0.051 174.868 174.900 -0.138 0.000 1.005 198 G CA 0.307 45.319 45.100 -0.147 0.000 0.713 198 G HN 0.237 nan 8.290 nan 0.000 0.515 199 V N 0.796 120.605 119.914 -0.174 0.000 2.350 199 V HA 0.365 4.484 4.120 -0.001 0.000 0.276 199 V C 0.506 176.527 176.094 -0.122 0.000 1.028 199 V CA -0.347 61.865 62.300 -0.146 0.000 0.860 199 V CB 1.643 33.342 31.823 -0.208 0.000 0.990 199 V HN 0.226 nan 8.190 nan 0.000 0.453 200 D N 1.989 122.350 120.400 -0.065 0.000 2.349 200 D HA 0.046 4.685 4.640 -0.001 0.000 0.214 200 D C 0.819 177.108 176.300 -0.018 0.000 1.063 200 D CA 0.228 54.199 54.000 -0.048 0.000 0.847 200 D CB 0.508 41.288 40.800 -0.034 0.000 0.933 200 D HN 0.528 nan 8.370 nan 0.000 0.513 201 T N 3.474 118.034 114.554 0.010 0.000 2.871 201 T HA 0.109 4.458 4.350 -0.001 0.000 0.296 201 T C -2.234 172.496 174.700 0.051 0.000 0.998 201 T CA -0.940 61.199 62.100 0.066 0.000 1.162 201 T CB 0.895 69.867 68.868 0.174 0.000 0.947 201 T HN 0.013 nan 8.240 nan 0.000 0.536 202 P HA 0.154 nan 4.420 nan 0.000 0.267 202 P C 0.677 178.042 177.300 0.108 0.000 1.200 202 P CA -0.242 62.893 63.100 0.058 0.000 0.772 202 P CB 0.405 32.138 31.700 0.055 0.000 0.855 203 A N 2.756 125.647 122.820 0.117 0.000 1.865 203 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 203 A C 2.081 179.846 177.584 0.301 0.000 1.191 203 A CA 2.442 54.594 52.037 0.192 0.000 0.623 203 A CB -1.905 17.283 19.000 0.313 0.000 0.826 203 A HN 0.558 nan 8.150 nan 0.000 0.444 204 T N -0.677 114.053 114.554 0.293 0.000 2.746 204 T HA -0.149 4.200 4.350 -0.001 0.000 0.267 204 T C 1.871 176.692 174.700 0.202 0.000 1.039 204 T CA 1.492 63.762 62.100 0.284 0.000 1.142 204 T CB -0.240 68.740 68.868 0.186 0.000 0.866 204 T HN 0.686 nan 8.240 nan 0.000 0.444 205 E N 0.033 120.327 120.200 0.158 0.000 2.077 205 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 205 E C 1.950 178.617 176.600 0.111 0.000 0.989 205 E CA 0.961 57.432 56.400 0.118 0.000 0.800 205 E CB -0.242 29.517 29.700 0.098 0.000 0.746 205 E HN 0.513 nan 8.360 nan 0.000 0.452 206 F N 1.280 121.229 119.950 -0.000 0.000 2.095 206 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 206 F C 1.921 177.665 175.800 -0.094 0.000 1.104 206 F CA 1.514 59.479 58.000 -0.060 0.000 1.232 206 F CB -0.150 38.777 39.000 -0.122 0.000 0.987 206 F HN 0.006 nan 8.300 nan 0.000 0.475 207 L N 0.165 121.392 121.223 0.007 0.000 2.093 207 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 207 L C 2.139 178.995 176.870 -0.023 0.000 1.085 207 L CA 1.698 56.502 54.840 -0.060 0.000 0.755 207 L CB -0.525 41.612 42.059 0.130 0.000 0.904 207 L HN 0.398 nan 8.230 nan 0.000 0.435 208 I N -4.810 115.775 120.570 0.026 0.000 4.327 208 I HA 0.393 4.563 4.170 -0.001 0.000 0.331 208 I C 0.661 176.780 176.117 0.004 0.000 1.348 208 I CA -0.227 61.083 61.300 0.016 0.000 1.152 208 I CB 0.547 38.600 38.000 0.088 0.000 1.151 208 I HN -0.050 nan 8.210 nan 0.000 0.410 209 A N 3.877 126.701 122.820 0.006 0.000 3.030 209 A HA 0.637 4.956 4.320 -0.001 0.000 0.335 209 A C -2.672 174.883 177.584 -0.048 0.000 1.089 209 A CA -1.080 50.971 52.037 0.024 0.000 0.807 209 A CB -0.286 18.742 19.000 0.046 0.000 1.099 209 A HN 0.166 nan 8.150 nan 0.000 0.474 210 P HA 0.094 nan 4.420 nan 0.000 0.271 210 P C 0.546 177.712 177.300 -0.223 0.000 1.218 210 P CA -0.121 62.892 63.100 -0.145 0.000 0.780 210 P CB 1.007 32.588 31.700 -0.199 0.000 0.901 211 N N 1.882 120.479 118.700 -0.172 0.000 2.149 211 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 211 N C 0.387 175.715 175.510 -0.305 0.000 1.019 211 N CA 1.336 54.251 53.050 -0.226 0.000 0.857 211 N CB 0.072 38.404 38.487 -0.259 0.000 0.997 211 N HN 0.307 nan 8.380 nan 0.000 0.426 212 R N -0.871 119.425 120.500 -0.340 0.000 2.535 212 R HA 0.442 4.781 4.340 -0.001 0.000 0.274 212 R C -2.128 173.935 176.300 -0.394 0.000 1.090 212 R CA -0.681 55.201 56.100 -0.363 0.000 0.930 212 R CB 0.963 31.084 30.300 -0.297 0.000 1.223 212 R HN 0.136 nan 8.270 nan 0.000 0.441 213 C N 6.061 125.092 119.300 -0.448 0.000 2.608 213 C HA 0.666 5.125 4.460 -0.001 0.000 0.325 213 C C -1.016 173.809 174.990 -0.274 0.000 1.147 213 C CA -0.725 58.059 59.018 -0.390 0.000 1.359 213 C CB 0.703 28.169 27.740 -0.457 0.000 1.912 213 C HN 0.887 nan 8.230 nan 0.000 0.466 214 I N 5.903 126.336 120.570 -0.228 0.000 2.339 214 I HA 0.469 4.638 4.170 -0.001 0.000 0.290 214 I C -0.379 175.639 176.117 -0.166 0.000 0.994 214 I CA -0.381 60.814 61.300 -0.175 0.000 1.191 214 I CB 1.694 39.616 38.000 -0.131 0.000 1.343 214 I HN 0.377 nan 8.210 nan 0.000 0.458 215 V N 5.643 125.434 119.914 -0.204 0.000 2.417 215 V HA 0.388 4.507 4.120 -0.001 0.000 0.291 215 V C 0.740 176.811 176.094 -0.038 0.000 1.024 215 V CA -0.638 61.553 62.300 -0.182 0.000 0.861 215 V CB 1.560 33.102 31.823 -0.469 0.000 0.985 215 V HN 0.863 nan 8.190 nan 0.000 0.436 216 A N 6.590 129.413 122.820 0.005 0.000 2.840 216 A HA 0.650 4.970 4.320 -0.001 0.000 0.269 216 A C 0.071 177.698 177.584 0.070 0.000 1.439 216 A CA 0.076 52.134 52.037 0.035 0.000 1.083 216 A CB -0.871 18.147 19.000 0.029 0.000 1.019 216 A HN 0.924 nan 8.150 nan 0.000 0.607 217 L N -4.891 116.417 121.223 0.141 0.000 2.568 217 L HA 0.765 5.104 4.340 -0.001 0.000 0.257 217 L C -3.291 173.738 176.870 0.265 0.000 1.024 217 L CA -2.560 52.376 54.840 0.160 0.000 0.854 217 L CB 1.588 43.748 42.059 0.169 0.000 1.460 217 L HN -0.193 nan 8.230 nan 0.000 0.409 218 P HA 0.254 nan 4.420 nan 0.000 0.277 218 P C -0.051 177.270 177.300 0.034 0.000 1.240 218 P CA -0.517 62.672 63.100 0.149 0.000 0.798 218 P CB 1.074 32.827 31.700 0.087 0.000 0.979 219 R N 1.057 121.424 120.500 -0.220 0.000 2.127 219 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 219 R C 1.593 177.678 176.300 -0.357 0.000 1.134 219 R CA 2.434 58.097 56.100 -0.729 0.000 0.975 219 R CB -0.904 28.997 30.300 -0.665 0.000 0.865 219 R HN 0.632 nan 8.270 nan 0.000 0.447 220 T N -2.002 112.463 114.554 -0.148 0.000 2.833 220 T HA -0.163 4.186 4.350 -0.001 0.000 0.269 220 T C 1.617 176.289 174.700 -0.046 0.000 1.054 220 T CA 1.034 63.081 62.100 -0.088 0.000 1.135 220 T CB -0.413 68.439 68.868 -0.027 0.000 0.869 220 T HN 0.263 nan 8.240 nan 0.000 0.466 221 F N 1.908 121.797 119.950 -0.102 0.000 2.234 221 F HA 0.256 4.783 4.527 -0.001 0.000 0.296 221 F C 1.244 176.991 175.800 -0.089 0.000 1.089 221 F CA -0.083 57.878 58.000 -0.065 0.000 1.343 221 F CB -0.270 38.730 39.000 0.000 0.000 1.040 221 F HN 0.113 nan 8.300 nan 0.000 0.498 222 Q N 2.213 122.030 119.800 0.029 0.000 2.283 222 Q HA 0.031 4.370 4.340 -0.001 0.000 0.301 222 Q C -0.424 175.435 176.000 -0.235 0.000 1.063 222 Q CA 0.376 56.165 55.803 -0.023 0.000 0.952 222 Q CB -0.007 28.676 28.738 -0.090 0.000 1.166 222 Q HN 0.391 nan 8.270 nan 0.000 0.381 223 I N 5.333 125.705 120.570 -0.331 0.000 2.741 223 I HA -0.147 4.022 4.170 -0.001 0.000 0.288 223 I C 0.577 176.365 176.117 -0.549 0.000 1.192 223 I CA 0.507 61.472 61.300 -0.559 0.000 1.426 223 I CB 0.058 37.549 38.000 -0.849 0.000 1.367 223 I HN 0.855 nan 8.210 nan 0.000 0.563 224 K N 4.066 124.194 120.400 -0.452 0.000 3.071 224 K HA -0.234 4.086 4.320 -0.001 0.000 0.262 224 K C 1.315 177.812 176.600 -0.172 0.000 0.977 224 K CA 0.400 56.510 56.287 -0.294 0.000 0.721 224 K CB -1.667 30.650 32.500 -0.306 0.000 1.293 224 K HN 1.035 nan 8.250 nan 0.000 0.475 225 G N 1.939 110.606 108.800 -0.222 0.000 2.462 225 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.220 225 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.220 225 G C 1.106 175.888 174.900 -0.197 0.000 1.121 225 G CA 1.194 46.129 45.100 -0.274 0.000 0.758 225 G HN 0.705 nan 8.290 nan 0.000 0.559 226 D N 0.650 120.965 120.400 -0.140 0.000 2.310 226 D HA -0.138 4.501 4.640 -0.001 0.000 0.212 226 D C 2.086 178.370 176.300 -0.026 0.000 0.965 226 D CA 1.492 55.444 54.000 -0.081 0.000 0.879 226 D CB -0.602 40.154 40.800 -0.073 0.000 0.921 226 D HN 0.470 nan 8.370 nan 0.000 0.510 227 T N -1.608 112.942 114.554 -0.008 0.000 3.086 227 T HA 0.215 4.564 4.350 -0.001 0.000 0.250 227 T C 0.722 175.464 174.700 0.069 0.000 1.074 227 T CA -0.420 61.704 62.100 0.040 0.000 0.988 227 T CB 0.008 68.916 68.868 0.067 0.000 0.988 227 T HN -0.105 nan 8.240 nan 0.000 0.530 228 V N 2.221 122.175 119.914 0.067 0.000 2.432 228 V HA 0.648 4.768 4.120 -0.001 0.000 0.275 228 V C 1.304 177.502 176.094 0.174 0.000 1.043 228 V CA -0.783 61.572 62.300 0.093 0.000 0.925 228 V CB 0.744 32.630 31.823 0.104 0.000 0.985 228 V HN 0.560 nan 8.190 nan 0.000 0.466 229 G N 2.317 111.245 108.800 0.214 0.000 2.621 229 G HA2 0.195 4.154 3.960 -0.001 0.000 0.271 229 G HA3 0.195 4.154 3.960 -0.001 0.000 0.271 229 G C 0.775 175.822 174.900 0.245 0.000 1.236 229 G CA 0.248 45.472 45.100 0.207 0.000 0.958 229 G HN 0.787 nan 8.290 nan 0.000 0.512 230 D N -1.928 118.556 120.400 0.140 0.000 2.371 230 D HA -0.130 4.510 4.640 -0.001 0.000 0.221 230 D C 1.631 177.954 176.300 0.038 0.000 0.986 230 D CA 0.803 54.861 54.000 0.096 0.000 0.899 230 D CB -0.454 40.377 40.800 0.052 0.000 0.902 230 D HN 0.545 nan 8.370 nan 0.000 0.530 231 N N -0.780 117.921 118.700 0.002 0.000 2.521 231 N HA -0.026 4.713 4.740 -0.001 0.000 0.188 231 N C -0.461 174.843 175.510 -0.343 0.000 1.146 231 N CA 0.079 53.023 53.050 -0.177 0.000 0.893 231 N CB -0.789 37.556 38.487 -0.237 0.000 0.975 231 N HN 0.527 nan 8.380 nan 0.000 0.451 232 Y N -0.494 119.747 120.300 -0.098 0.000 2.387 232 Y HA 0.520 5.069 4.550 -0.001 0.000 0.336 232 Y C 0.003 175.791 175.900 -0.187 0.000 1.067 232 Y CA -0.971 57.001 58.100 -0.214 0.000 1.114 232 Y CB 2.000 40.278 38.460 -0.304 0.000 1.208 232 Y HN -0.201 nan 8.280 nan 0.000 0.458 233 T N 3.903 118.388 114.554 -0.116 0.000 2.840 233 T HA 0.421 4.770 4.350 -0.001 0.000 0.287 233 T C -1.043 173.566 174.700 -0.152 0.000 0.991 233 T CA -0.744 61.328 62.100 -0.046 0.000 0.964 233 T CB 0.190 69.044 68.868 -0.023 0.000 0.954 233 T HN 0.244 nan 8.240 nan 0.000 0.438 234 F N 2.751 122.737 119.950 0.060 0.000 2.390 234 F HA 0.333 4.859 4.527 -0.001 0.000 0.361 234 F C 1.357 177.176 175.800 0.031 0.000 1.124 234 F CA -0.736 57.294 58.000 0.050 0.000 1.149 234 F CB 0.968 39.997 39.000 0.050 0.000 1.160 234 F HN 0.437 nan 8.300 nan 0.000 0.501 235 V N 1.198 121.191 119.914 0.132 0.000 3.528 235 V HA 0.626 4.745 4.120 -0.001 0.000 0.294 235 V C 0.915 177.047 176.094 0.064 0.000 1.404 235 V CA 0.109 62.457 62.300 0.079 0.000 1.065 235 V CB -0.511 31.329 31.823 0.030 0.000 0.904 235 V HN 1.034 nan 8.190 nan 0.000 0.435 236 G N 1.581 110.439 108.800 0.098 0.000 2.752 236 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.234 236 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.234 236 G C -2.539 172.370 174.900 0.015 0.000 1.367 236 G CA -0.262 44.873 45.100 0.057 0.000 0.879 236 G HN 0.563 nan 8.290 nan 0.000 0.563 237 P HA 0.192 nan 4.420 nan 0.000 0.266 237 P C 0.768 177.984 177.300 -0.140 0.000 1.195 237 P CA 1.118 64.200 63.100 -0.029 0.000 0.768 237 P CB 0.601 32.305 31.700 0.007 0.000 0.838 238 T N -1.523 112.992 114.554 -0.065 0.000 3.132 238 T HA 0.144 4.493 4.350 -0.001 0.000 0.274 238 T C 0.621 175.297 174.700 -0.039 0.000 1.011 238 T CA -0.421 61.639 62.100 -0.067 0.000 0.899 238 T CB -1.013 67.868 68.868 0.021 0.000 1.089 238 T HN 0.337 nan 8.240 nan 0.000 0.543 239 Y N 1.146 121.475 120.300 0.048 0.000 2.550 239 Y HA 0.640 5.190 4.550 -0.001 0.000 0.343 239 Y C 0.804 176.730 175.900 0.044 0.000 1.245 239 Y CA -1.203 56.927 58.100 0.050 0.000 1.462 239 Y CB -0.067 38.423 38.460 0.050 0.000 1.340 239 Y HN 0.151 nan 8.280 nan 0.000 0.604 240 G N 0.540 109.509 108.800 0.282 0.000 3.008 240 G HA2 0.160 4.120 3.960 -0.001 0.000 0.181 240 G HA3 0.160 4.120 3.960 -0.001 0.000 0.181 240 G C -1.253 173.777 174.900 0.217 0.000 1.309 240 G CA -0.708 44.496 45.100 0.172 0.000 1.009 240 G HN 0.744 nan 8.290 nan 0.000 0.584 241 D N -0.146 120.333 120.400 0.133 0.000 2.358 241 D HA 0.081 4.721 4.640 -0.001 0.000 0.258 241 D C 0.456 176.824 176.300 0.113 0.000 1.223 241 D CA -0.048 54.021 54.000 0.114 0.000 0.886 241 D CB 0.734 41.582 40.800 0.080 0.000 1.120 241 D HN 0.302 nan 8.370 nan 0.000 0.482 242 R N 2.250 122.815 120.500 0.108 0.000 2.893 242 R HA 0.061 4.401 4.340 -0.001 0.000 0.317 242 R C 1.587 177.949 176.300 0.103 0.000 1.239 242 R CA -0.048 56.116 56.100 0.107 0.000 1.128 242 R CB -0.055 30.287 30.300 0.071 0.000 1.377 242 R HN 0.423 nan 8.270 nan 0.000 0.583 243 S N -1.170 114.589 115.700 0.099 0.000 2.442 243 S HA -0.232 4.237 4.470 -0.001 0.000 0.236 243 S C 1.797 176.455 174.600 0.097 0.000 1.007 243 S CA 1.005 59.253 58.200 0.080 0.000 0.965 243 S CB -0.440 62.800 63.200 0.066 0.000 0.773 243 S HN 0.570 nan 8.310 nan 0.000 0.504 244 H N 1.494 120.587 119.070 0.039 0.000 2.390 244 H HA -0.103 4.452 4.556 -0.001 0.000 0.298 244 H C 1.999 177.358 175.328 0.051 0.000 1.106 244 H CA 2.010 58.083 56.048 0.042 0.000 1.297 244 H CB -0.179 29.612 29.762 0.048 0.000 1.375 244 H HN 0.567 nan 8.280 nan 0.000 0.509 245 Q N 0.149 119.982 119.800 0.055 0.000 2.436 245 Q HA 0.080 4.419 4.340 -0.001 0.000 0.209 245 Q C 0.949 176.933 176.000 -0.025 0.000 0.965 245 Q CA 0.363 56.171 55.803 0.009 0.000 0.910 245 Q CB 0.303 29.074 28.738 0.055 0.000 0.980 245 Q HN 0.651 nan 8.270 nan 0.000 0.491 246 G N 0.573 109.364 108.800 -0.015 0.000 2.796 246 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.226 246 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.226 246 G C -0.343 174.563 174.900 0.011 0.000 1.381 246 G CA -0.293 44.801 45.100 -0.010 0.000 0.867 246 G HN 0.197 nan 8.290 nan 0.000 0.552 247 T N -0.141 114.422 114.554 0.015 0.000 2.918 247 T HA 0.485 4.834 4.350 -0.001 0.000 0.283 247 T C -0.335 174.419 174.700 0.090 0.000 1.001 247 T CA 0.507 62.632 62.100 0.041 0.000 1.041 247 T CB 1.628 70.500 68.868 0.007 0.000 1.028 247 T HN 0.840 nan 8.240 nan 0.000 0.511 248 W N 1.387 122.643 121.300 -0.074 0.000 2.433 248 W HA 0.534 5.193 4.660 -0.001 0.000 0.315 248 W C -0.223 176.264 176.519 -0.054 0.000 1.087 248 W CA -0.721 56.580 57.345 -0.073 0.000 1.205 248 W CB 0.181 29.593 29.460 -0.080 0.000 1.288 248 W HN 0.749 nan 8.180 nan 0.000 0.504 249 E N 4.222 123.959 120.200 -0.772 0.000 2.046 249 E HA 0.520 4.869 4.350 -0.001 0.000 0.279 249 E C 0.286 176.063 176.600 -1.371 0.000 0.989 249 E CA -0.227 55.705 56.400 -0.778 0.000 0.798 249 E CB 0.501 nan 29.700 nan 0.000 1.086 249 E HN 0.852 nan 8.360 nan 0.000 0.399 250 G N 2.041 109.987 108.800 -1.423 0.000 2.599 250 G HA2 0.396 4.355 3.960 -0.001 0.000 0.264 250 G HA3 0.396 4.355 3.960 -0.001 0.000 0.264 250 G C -1.014 173.499 174.900 -0.645 0.000 1.200 250 G CA -0.426 43.874 45.100 -1.334 0.000 0.896 250 G HN 0.486 nan 8.290 nan 0.000 0.536 251 P HA 0.019 nan 4.420 nan 0.000 0.219 251 P C 1.289 178.458 177.300 -0.219 0.000 1.146 251 P CA 1.396 64.298 63.100 -0.330 0.000 0.808 251 P CB 0.072 31.583 31.700 -0.316 0.000 0.779 252 G N 1.150 109.831 108.800 -0.198 0.000 2.221 252 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.265 252 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.265 252 G C 0.278 175.122 174.900 -0.093 0.000 1.041 252 G CA 0.510 45.530 45.100 -0.133 0.000 0.807 252 G HN 0.496 nan 8.290 nan 0.000 0.502 253 D N -1.303 119.047 120.400 -0.082 0.000 2.369 253 D HA 0.372 5.011 4.640 -0.001 0.000 0.211 253 D C 1.833 178.104 176.300 -0.048 0.000 1.077 253 D CA 0.491 54.457 54.000 -0.056 0.000 0.842 253 D CB -0.411 40.363 40.800 -0.043 0.000 0.947 253 D HN 1.471 nan 8.370 nan 0.000 0.509 254 G N 0.555 109.323 108.800 -0.053 0.000 2.179 254 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.260 254 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.260 254 G C 0.296 175.149 174.900 -0.079 0.000 0.977 254 G CA -0.022 45.044 45.100 -0.057 0.000 0.641 254 G HN 0.437 nan 8.290 nan 0.000 0.533 255 R N 1.398 121.856 120.500 -0.069 0.000 2.490 255 R HA 0.401 4.740 4.340 -0.001 0.000 0.280 255 R C -1.982 174.212 176.300 -0.178 0.000 1.077 255 R CA -1.180 54.854 56.100 -0.110 0.000 1.065 255 R CB 0.502 30.787 30.300 -0.025 0.000 1.003 255 R HN 0.190 nan 8.270 nan 0.000 0.470 256 P HA 0.025 nan 4.420 nan 0.000 0.271 256 P C -0.631 176.485 177.300 -0.308 0.000 1.216 256 P CA -0.076 62.636 63.100 -0.646 0.000 0.776 256 P CB 0.766 31.503 31.700 -1.605 0.000 0.881 257 V N 4.178 124.077 119.914 -0.025 0.000 2.398 257 V HA 0.255 4.374 4.120 -0.001 0.000 0.286 257 V C 0.288 176.618 176.094 0.393 0.000 1.026 257 V CA -0.664 61.789 62.300 0.254 0.000 0.868 257 V CB 1.312 33.270 31.823 0.225 0.000 0.982 257 V HN 0.422 nan 8.190 nan 0.000 0.443 258 L N 6.286 127.779 121.223 0.450 0.000 2.296 258 L HA 0.681 5.021 4.340 -0.001 0.000 0.286 258 L C -0.822 176.109 176.870 0.102 0.000 1.023 258 L CA -0.264 54.766 54.840 0.317 0.000 0.812 258 L CB 1.456 43.624 42.059 0.181 0.000 1.223 258 L HN 0.610 nan 8.230 nan 0.000 0.421 259 L N 6.387 127.654 121.223 0.073 0.000 2.307 259 L HA 0.619 4.958 4.340 -0.001 0.000 0.282 259 L C -0.926 176.078 176.870 0.224 0.000 1.051 259 L CA 0.049 54.893 54.840 0.006 0.000 0.804 259 L CB 1.083 43.001 42.059 -0.236 0.000 1.197 259 L HN 0.587 nan 8.230 nan 0.000 0.431 260 I N 5.494 126.160 120.570 0.159 0.000 2.410 260 I HA 0.731 4.900 4.170 -0.001 0.000 0.286 260 I C -0.514 175.752 176.117 0.249 0.000 1.009 260 I CA -0.481 60.963 61.300 0.239 0.000 1.111 260 I CB 1.522 39.621 38.000 0.164 0.000 1.262 260 I HN 0.782 nan 8.210 nan 0.000 0.443 261 A N 6.721 129.756 122.820 0.359 0.000 2.491 261 A HA 0.619 4.939 4.320 -0.001 0.000 0.293 261 A C -0.590 177.134 177.584 0.233 0.000 1.047 261 A CA -0.459 51.744 52.037 0.276 0.000 0.735 261 A CB 1.158 20.285 19.000 0.211 0.000 1.281 261 A HN 0.741 nan 8.150 nan 0.000 0.398 262 L N 2.772 124.094 121.223 0.165 0.000 2.912 262 L HA 0.496 4.835 4.340 -0.001 0.000 0.240 262 L C 1.189 177.765 176.870 -0.490 0.000 1.262 262 L CA 0.502 55.306 54.840 -0.059 0.000 1.058 262 L CB -0.701 41.420 42.059 0.104 0.000 1.383 262 L HN 1.348 nan 8.230 nan 0.000 0.512 263 G N 1.050 109.662 108.800 -0.312 0.000 2.615 263 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 263 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 263 G C 0.385 175.346 174.900 0.100 0.000 1.339 263 G CA -0.025 44.944 45.100 -0.217 0.000 0.884 263 G HN 0.366 nan 8.290 nan 0.000 0.559 264 S N -1.155 114.681 115.700 0.228 0.000 2.539 264 S HA 0.677 5.147 4.470 -0.001 0.000 0.221 264 S C 1.467 176.231 174.600 0.273 0.000 0.987 264 S CA 1.038 59.453 58.200 0.359 0.000 0.929 264 S CB 0.894 64.395 63.200 0.502 0.000 0.832 264 S HN 2.146 nan 8.310 nan 0.000 0.492 265 A N 0.925 123.850 122.820 0.175 0.000 1.935 265 A HA 0.594 4.914 4.320 -0.001 0.000 0.202 265 A C 0.114 177.673 177.584 -0.041 0.000 1.772 265 A CA -0.050 52.004 52.037 0.028 0.000 1.013 265 A CB -0.107 18.697 19.000 -0.327 0.000 1.077 265 A HN 0.405 nan 8.150 nan 0.000 0.565 266 F N 2.325 122.431 119.950 0.259 0.000 2.611 266 F HA 0.282 4.809 4.527 -0.001 0.000 0.321 266 F C 1.425 177.361 175.800 0.228 0.000 1.208 266 F CA 0.573 58.701 58.000 0.214 0.000 1.249 266 F CB 0.543 39.669 39.000 0.210 0.000 1.514 266 F HN 0.239 nan 8.300 nan 0.000 0.561 267 T N -4.849 109.907 114.554 0.337 0.000 3.044 267 T HA 0.047 4.396 4.350 -0.001 0.000 0.260 267 T C 0.532 175.395 174.700 0.272 0.000 1.019 267 T CA -0.186 62.163 62.100 0.416 0.000 0.921 267 T CB -0.119 69.025 68.868 0.461 0.000 1.053 267 T HN 0.073 nan 8.240 nan 0.000 0.533 268 D N 2.604 122.899 120.400 -0.175 0.000 2.498 268 D HA 0.039 4.679 4.640 -0.001 0.000 0.229 268 D C -0.443 175.514 176.300 -0.573 0.000 1.188 268 D CA -0.126 53.711 54.000 -0.270 0.000 1.028 268 D CB -0.511 39.965 40.800 -0.539 0.000 1.087 268 D HN 0.442 nan 8.370 nan 0.000 0.510 269 H N 3.597 122.691 119.070 0.040 0.000 2.597 269 H HA 0.048 4.603 4.556 -0.001 0.000 0.225 269 H C 1.162 176.353 175.328 -0.228 0.000 1.422 269 H CA -0.473 55.468 56.048 -0.178 0.000 1.335 269 H CB 0.503 30.054 29.762 -0.352 0.000 1.783 269 H HN 0.253 nan 8.280 nan 0.000 0.513 270 L N 1.007 122.303 121.223 0.123 0.000 2.043 270 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 270 L C 1.545 178.497 176.870 0.137 0.000 1.075 270 L CA 2.009 56.978 54.840 0.216 0.000 0.752 270 L CB -0.020 42.143 42.059 0.174 0.000 0.891 270 L HN 0.241 nan 8.230 nan 0.000 0.432 271 D N -1.114 119.342 120.400 0.093 0.000 2.117 271 D HA -0.239 4.400 4.640 -0.001 0.000 0.197 271 D C 2.017 178.351 176.300 0.057 0.000 0.987 271 D CA 1.518 55.561 54.000 0.071 0.000 0.829 271 D CB -0.326 40.514 40.800 0.067 0.000 0.961 271 D HN 0.440 nan 8.370 nan 0.000 0.460 272 F N 0.779 120.657 119.950 -0.120 0.000 2.134 272 F HA -0.267 4.259 4.527 -0.001 0.000 0.299 272 F C 1.951 177.697 175.800 -0.090 0.000 1.097 272 F CA 1.312 59.209 58.000 -0.172 0.000 1.264 272 F CB -0.418 38.390 39.000 -0.321 0.000 1.001 272 F HN -0.082 nan 8.300 nan 0.000 0.479 273 Y N 0.510 120.842 120.300 0.054 0.000 2.242 273 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 273 Y C 2.573 178.405 175.900 -0.114 0.000 1.137 273 Y CA 1.226 59.290 58.100 -0.060 0.000 1.181 273 Y CB -1.075 37.438 38.460 0.088 0.000 0.989 273 Y HN 0.016 nan 8.280 nan 0.000 0.527 274 R N -0.737 119.808 120.500 0.075 0.000 2.096 274 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 274 R C 2.118 178.383 176.300 -0.058 0.000 1.127 274 R CA 1.776 57.886 56.100 0.016 0.000 0.968 274 R CB -0.739 29.578 30.300 0.029 0.000 0.861 274 R HN 0.253 nan 8.270 nan 0.000 0.440 275 T N 0.441 114.923 114.554 -0.121 0.000 2.746 275 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 275 T C 2.053 176.618 174.700 -0.226 0.000 1.039 275 T CA 1.282 63.282 62.100 -0.168 0.000 1.142 275 T CB -0.319 68.437 68.868 -0.186 0.000 0.866 275 T HN 0.361 nan 8.240 nan 0.000 0.444 276 C N 1.018 120.117 119.300 -0.336 0.000 2.425 276 C HA 0.030 4.489 4.460 -0.001 0.000 0.277 276 C C 2.693 177.596 174.990 -0.145 0.000 1.280 276 C CA 0.354 59.205 59.018 -0.278 0.000 1.744 276 C CB -1.430 26.139 27.740 -0.285 0.000 1.989 276 C HN 0.527 nan 8.230 nan 0.000 0.491 277 L N 0.548 121.712 121.223 -0.099 0.000 2.046 277 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 277 L C 2.646 179.479 176.870 -0.062 0.000 1.077 277 L CA 1.580 56.383 54.840 -0.063 0.000 0.747 277 L CB -0.723 41.315 42.059 -0.036 0.000 0.896 277 L HN 0.318 nan 8.230 nan 0.000 0.432 278 S N -0.070 115.590 115.700 -0.067 0.000 2.383 278 S HA -0.131 4.338 4.470 -0.001 0.000 0.227 278 S C 2.197 176.756 174.600 -0.068 0.000 1.026 278 S CA 1.084 59.249 58.200 -0.057 0.000 0.981 278 S CB -0.271 62.898 63.200 -0.052 0.000 0.818 278 S HN 0.491 nan 8.310 nan 0.000 0.472 279 A N 1.264 124.028 122.820 -0.095 0.000 1.933 279 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 279 A C 2.244 179.764 177.584 -0.106 0.000 1.175 279 A CA 1.798 53.771 52.037 -0.105 0.000 0.628 279 A CB -0.695 18.223 19.000 -0.136 0.000 0.814 279 A HN 0.612 nan 8.150 nan 0.000 0.444 280 V N -2.568 117.286 119.914 -0.099 0.000 3.647 280 V HA 0.169 4.288 4.120 -0.001 0.000 0.279 280 V C 0.287 176.354 176.094 -0.046 0.000 1.314 280 V CA 0.307 62.551 62.300 -0.093 0.000 1.125 280 V CB -0.568 31.198 31.823 -0.094 0.000 0.907 280 V HN 0.321 nan 8.190 nan 0.000 0.434 281 D N 1.784 122.162 120.400 -0.038 0.000 2.401 281 D HA 0.415 5.054 4.640 -0.001 0.000 0.254 281 D C 1.450 177.749 176.300 -0.002 0.000 1.192 281 D CA 1.605 55.596 54.000 -0.015 0.000 0.885 281 D CB 0.541 41.331 40.800 -0.017 0.000 1.147 281 D HN 0.584 nan 8.370 nan 0.000 0.478 282 G N 3.012 111.824 108.800 0.019 0.000 2.176 282 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.253 282 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.253 282 G C 0.260 175.192 174.900 0.053 0.000 0.979 282 G CA 0.177 45.296 45.100 0.033 0.000 0.641 282 G HN 0.540 nan 8.290 nan 0.000 0.530 283 L N 1.431 122.685 121.223 0.052 0.000 2.416 283 L HA 0.482 4.821 4.340 -0.001 0.000 0.272 283 L C 0.700 177.700 176.870 0.216 0.000 1.161 283 L CA 0.040 54.940 54.840 0.099 0.000 0.845 283 L CB 1.147 43.201 42.059 -0.008 0.000 1.119 283 L HN 0.172 nan 8.230 nan 0.000 0.464 284 D N 3.076 123.663 120.400 0.313 0.000 2.994 284 D HA 0.139 4.778 4.640 -0.001 0.000 0.240 284 D C -1.325 175.176 176.300 0.336 0.000 1.195 284 D CA 0.107 54.267 54.000 0.266 0.000 0.957 284 D CB -0.316 40.584 40.800 0.168 0.000 1.105 284 D HN 0.229 nan 8.370 nan 0.000 0.477 285 W N -0.224 121.112 121.300 0.059 0.000 3.033 285 W HA 0.283 4.942 4.660 -0.001 0.000 0.336 285 W C -0.304 176.283 176.519 0.113 0.000 1.173 285 W CA -1.062 56.332 57.345 0.081 0.000 1.185 285 W CB 0.748 30.240 29.460 0.054 0.000 1.425 285 W HN -0.015 nan 8.180 nan 0.000 0.536 286 H N 0.863 120.100 119.070 0.277 0.000 2.548 286 H HA 0.662 5.217 4.556 -0.001 0.000 0.331 286 H C -0.979 174.504 175.328 0.259 0.000 1.093 286 H CA -0.041 56.149 56.048 0.236 0.000 1.367 286 H CB 0.959 30.855 29.762 0.223 0.000 1.455 286 H HN 0.128 nan 8.280 nan 0.000 0.519 287 V N 6.150 125.825 119.914 -0.399 0.000 2.540 287 V HA 0.273 4.392 4.120 -0.001 0.000 0.302 287 V C -0.635 175.283 176.094 -0.293 0.000 1.035 287 V CA -0.912 61.268 62.300 -0.199 0.000 0.873 287 V CB 1.766 33.523 31.823 -0.109 0.000 0.992 287 V HN 0.587 nan 8.190 nan 0.000 0.428 288 V N 5.933 125.755 119.914 -0.153 0.000 2.347 288 V HA 0.439 4.559 4.120 -0.001 0.000 0.280 288 V C -0.424 175.618 176.094 -0.087 0.000 1.021 288 V CA -0.486 61.742 62.300 -0.120 0.000 0.847 288 V CB 1.510 33.169 31.823 -0.272 0.000 0.990 288 V HN 0.655 nan 8.190 nan 0.000 0.444 289 L N 5.169 126.349 121.223 -0.072 0.000 2.280 289 L HA 0.621 4.960 4.340 -0.001 0.000 0.287 289 L C 0.115 176.932 176.870 -0.089 0.000 1.023 289 L CA 0.462 55.257 54.840 -0.075 0.000 0.819 289 L CB 1.679 43.679 42.059 -0.098 0.000 1.212 289 L HN 0.604 nan 8.230 nan 0.000 0.420 290 S N 3.521 119.175 115.700 -0.077 0.000 2.429 290 S HA 0.422 4.891 4.470 -0.001 0.000 0.302 290 S C 0.738 175.221 174.600 -0.195 0.000 1.115 290 S CA -0.296 57.858 58.200 -0.075 0.000 1.095 290 S CB 0.928 64.091 63.200 -0.061 0.000 0.987 290 S HN 0.700 nan 8.310 nan 0.000 0.474 291 V N 2.707 122.461 119.914 -0.266 0.000 3.621 291 V HA 0.624 4.743 4.120 -0.001 0.000 0.285 291 V C 0.993 177.042 176.094 -0.074 0.000 1.346 291 V CA 0.492 62.440 62.300 -0.586 0.000 1.104 291 V CB -1.207 30.274 31.823 -0.569 0.000 0.913 291 V HN 1.271 nan 8.190 nan 0.000 0.432 292 G N 1.340 110.186 108.800 0.076 0.000 2.796 292 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.571 292 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.571 292 G C 0.211 175.161 174.900 0.083 0.000 1.370 292 G CA 0.038 45.245 45.100 0.179 0.000 0.856 292 G HN 0.298 nan 8.290 nan 0.000 0.538 293 R N -0.417 120.042 120.500 -0.069 0.000 2.275 293 R HA 0.169 4.508 4.340 -0.001 0.000 0.199 293 R C 2.146 178.266 176.300 -0.301 0.000 0.989 293 R CA 1.156 57.100 56.100 -0.260 0.000 1.016 293 R CB -0.404 29.623 30.300 -0.455 0.000 0.918 293 R HN 0.511 nan 8.270 nan 0.000 0.473 294 F N -0.334 119.649 119.950 0.054 0.000 2.664 294 F HA 0.089 4.616 4.527 -0.001 0.000 0.296 294 F C 0.903 176.739 175.800 0.060 0.000 1.125 294 F CA 0.101 58.127 58.000 0.044 0.000 1.444 294 F CB 0.279 39.300 39.000 0.036 0.000 1.114 294 F HN -0.364 nan 8.300 nan 0.000 0.576 295 V N 0.737 120.790 119.914 0.232 0.000 2.417 295 V HA 0.179 4.298 4.120 -0.001 0.000 0.291 295 V C -0.630 175.523 176.094 0.098 0.000 1.024 295 V CA -1.115 61.297 62.300 0.188 0.000 0.861 295 V CB 1.525 33.504 31.823 0.260 0.000 0.985 295 V HN -0.105 nan 8.190 nan 0.000 0.436 296 D N 6.843 127.291 120.400 0.080 0.000 2.343 296 D HA 0.239 4.879 4.640 -0.001 0.000 0.255 296 D C -1.557 174.764 176.300 0.035 0.000 1.187 296 D CA -1.990 52.038 54.000 0.045 0.000 0.875 296 D CB 2.056 42.881 40.800 0.041 0.000 1.136 296 D HN 0.193 nan 8.370 nan 0.000 0.469 297 P HA -0.128 nan 4.420 nan 0.000 0.218 297 P C 0.845 178.143 177.300 -0.002 0.000 1.146 297 P CA 1.291 64.384 63.100 -0.012 0.000 0.813 297 P CB 0.157 31.837 31.700 -0.032 0.000 0.778 298 A N -0.463 122.362 122.820 0.008 0.000 2.121 298 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 298 A C 1.623 179.218 177.584 0.020 0.000 1.154 298 A CA 1.475 53.519 52.037 0.010 0.000 0.679 298 A CB -1.052 17.955 19.000 0.011 0.000 0.795 298 A HN 0.076 nan 8.150 nan 0.000 0.458 299 D N -0.471 119.948 120.400 0.032 0.000 2.363 299 D HA 0.062 4.701 4.640 -0.001 0.000 0.226 299 D C 1.359 177.688 176.300 0.048 0.000 1.020 299 D CA 0.441 54.467 54.000 0.044 0.000 0.892 299 D CB 0.046 40.882 40.800 0.061 0.000 0.900 299 D HN 0.462 nan 8.370 nan 0.000 0.531 300 L N -0.760 120.486 121.223 0.039 0.000 2.529 300 L HA 0.211 4.550 4.340 -0.001 0.000 0.223 300 L C 1.522 178.403 176.870 0.019 0.000 1.113 300 L CA 0.153 55.015 54.840 0.036 0.000 0.861 300 L CB -0.193 41.881 42.059 0.025 0.000 1.012 300 L HN 0.085 nan 8.230 nan 0.000 0.461 301 G N 0.463 109.272 108.800 0.015 0.000 2.528 301 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.262 301 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.262 301 G C 0.061 174.963 174.900 0.002 0.000 1.200 301 G CA -0.019 45.086 45.100 0.009 0.000 0.951 301 G HN 0.367 nan 8.290 nan 0.000 0.566 302 E N 0.024 120.226 120.200 0.003 0.000 2.257 302 E HA 0.582 4.932 4.350 -0.001 0.000 0.278 302 E C 0.797 177.395 176.600 -0.003 0.000 1.049 302 E CA 0.180 56.580 56.400 0.000 0.000 0.876 302 E CB 0.708 nan 29.700 nan 0.000 1.035 302 E HN 2.214 nan 8.360 nan 0.000 0.419 303 V N 0.345 120.254 119.914 -0.008 0.000 2.713 303 V HA 0.801 4.921 4.120 -0.001 0.000 0.307 303 V C -2.445 173.644 176.094 -0.007 0.000 1.052 303 V CA -2.375 59.916 62.300 -0.014 0.000 0.967 303 V CB 1.200 33.006 31.823 -0.029 0.000 1.019 303 V HN 0.599 nan 8.190 nan 0.000 0.459 304 P HA 0.206 nan 4.420 nan 0.000 0.267 304 P C -2.061 175.246 177.300 0.012 0.000 1.201 304 P CA -1.064 62.037 63.100 0.002 0.000 0.775 304 P CB -0.088 31.610 31.700 -0.002 0.000 0.854 305 P HA -0.154 nan 4.420 nan 0.000 0.225 305 P C 0.534 177.880 177.300 0.076 0.000 1.148 305 P CA 1.295 64.423 63.100 0.046 0.000 0.779 305 P CB -0.122 31.605 31.700 0.046 0.000 0.780 306 N N -0.324 118.417 118.700 0.068 0.000 2.322 306 N HA 0.036 4.775 4.740 -0.001 0.000 0.194 306 N C -0.175 175.302 175.510 -0.056 0.000 1.126 306 N CA -0.041 53.066 53.050 0.095 0.000 0.845 306 N CB -0.241 38.312 38.487 0.110 0.000 0.976 306 N HN -0.017 nan 8.380 nan 0.000 0.475 307 V N 1.284 121.166 119.914 -0.054 0.000 2.495 307 V HA 0.321 4.440 4.120 -0.001 0.000 0.298 307 V C -0.226 175.824 176.094 -0.074 0.000 1.031 307 V CA -1.035 61.191 62.300 -0.124 0.000 0.871 307 V CB 1.706 33.478 31.823 -0.084 0.000 0.988 307 V HN 0.314 nan 8.190 nan 0.000 0.432 308 E N 3.819 123.964 120.200 -0.093 0.000 2.199 308 E HA 0.765 5.114 4.350 -0.001 0.000 0.269 308 E C -1.601 174.868 176.600 -0.217 0.000 0.899 308 E CA -0.803 55.556 56.400 -0.069 0.000 0.772 308 E CB 2.341 32.136 29.700 0.158 0.000 1.155 308 E HN 0.315 nan 8.360 nan 0.000 0.408 309 V N 3.582 123.267 119.914 -0.382 0.000 2.495 309 V HA 0.412 4.531 4.120 -0.001 0.000 0.298 309 V C -0.429 175.316 176.094 -0.583 0.000 1.031 309 V CA -0.678 61.411 62.300 -0.352 0.000 0.871 309 V CB 1.280 32.985 31.823 -0.198 0.000 0.988 309 V HN 0.718 nan 8.190 nan 0.000 0.432 310 H N 2.494 121.543 119.070 -0.035 0.000 2.980 310 H HA 0.366 4.921 4.556 -0.001 0.000 0.367 310 H C -0.011 175.308 175.328 -0.016 0.000 1.206 310 H CA -0.657 55.387 56.048 -0.007 0.000 1.126 310 H CB 2.475 32.241 29.762 0.008 0.000 1.838 310 H HN 0.557 nan 8.280 nan 0.000 0.552 311 Q N 0.418 120.312 119.800 0.156 0.000 2.230 311 Q HA -0.025 4.314 4.340 -0.001 0.000 0.202 311 Q C -0.047 176.094 176.000 0.233 0.000 0.963 311 Q CA 1.086 56.965 55.803 0.126 0.000 0.866 311 Q CB 1.158 29.950 28.738 0.089 0.000 0.931 311 Q HN 0.452 nan 8.270 nan 0.000 0.452 312 W N 0.571 121.865 121.300 -0.010 0.000 3.425 312 W HA 0.430 5.089 4.660 -0.001 0.000 0.318 312 W C -1.715 174.751 176.519 -0.088 0.000 1.201 312 W CA -0.842 56.465 57.345 -0.063 0.000 1.212 312 W CB 1.313 30.716 29.460 -0.095 0.000 1.355 312 W HN -0.235 nan 8.180 nan 0.000 0.515 313 V N 2.469 122.011 119.914 -0.620 0.000 3.074 313 V HA 0.701 4.820 4.120 -0.001 0.000 0.314 313 V C -2.579 173.127 176.094 -0.647 0.000 1.117 313 V CA -2.518 59.472 62.300 -0.518 0.000 1.014 313 V CB 1.797 33.386 31.823 -0.389 0.000 1.057 313 V HN 0.395 nan 8.190 nan 0.000 0.438 314 P HA 0.204 nan 4.420 nan 0.000 0.244 314 P C 0.424 177.523 177.300 -0.334 0.000 1.769 314 P CA 0.193 63.120 63.100 -0.288 0.000 1.102 314 P CB 0.681 32.316 31.700 -0.110 0.000 1.937 315 Q N 2.000 121.536 119.800 -0.440 0.000 2.096 315 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 315 Q C 1.552 177.331 176.000 -0.367 0.000 0.982 315 Q CA 1.332 56.875 55.803 -0.435 0.000 0.850 315 Q CB -0.342 28.131 28.738 -0.441 0.000 0.901 315 Q HN 0.237 nan 8.270 nan 0.000 0.422 316 L N 1.190 122.230 121.223 -0.305 0.000 2.046 316 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 316 L C 1.810 178.566 176.870 -0.190 0.000 1.077 316 L CA 2.549 57.219 54.840 -0.283 0.000 0.747 316 L CB -0.774 41.101 42.059 -0.307 0.000 0.896 316 L HN 0.344 nan 8.230 nan 0.000 0.432 317 D N -0.731 119.588 120.400 -0.134 0.000 2.117 317 D HA -0.222 4.417 4.640 -0.001 0.000 0.197 317 D C 2.148 178.425 176.300 -0.039 0.000 0.987 317 D CA 1.806 55.781 54.000 -0.043 0.000 0.829 317 D CB -0.136 40.678 40.800 0.024 0.000 0.961 317 D HN 0.493 nan 8.370 nan 0.000 0.460 318 I N -0.028 120.444 120.570 -0.162 0.000 2.286 318 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 318 I C 2.263 178.238 176.117 -0.237 0.000 1.115 318 I CA 0.616 61.744 61.300 -0.287 0.000 1.392 318 I CB -0.192 37.428 38.000 -0.634 0.000 1.065 318 I HN 0.118 nan 8.210 nan 0.000 0.418 319 L N 0.447 121.504 121.223 -0.277 0.000 2.191 319 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 319 L C 2.706 179.512 176.870 -0.106 0.000 1.103 319 L CA 1.701 56.394 54.840 -0.244 0.000 0.769 319 L CB -0.885 40.986 42.059 -0.313 0.000 0.908 319 L HN 0.456 nan 8.230 nan 0.000 0.438 320 T N -3.485 111.032 114.554 -0.063 0.000 3.007 320 T HA -0.142 4.207 4.350 -0.001 0.000 0.270 320 T C 1.543 176.257 174.700 0.023 0.000 1.107 320 T CA 0.921 63.019 62.100 -0.003 0.000 1.118 320 T CB -0.057 68.822 68.868 0.019 0.000 0.889 320 T HN 0.324 nan 8.240 nan 0.000 0.506 321 K N 0.392 120.811 120.400 0.031 0.000 2.402 321 K HA 0.561 4.880 4.320 -0.001 0.000 0.203 321 K C 0.692 177.328 176.600 0.059 0.000 1.077 321 K CA -0.077 56.259 56.287 0.082 0.000 1.051 321 K CB 0.887 33.517 32.500 0.216 0.000 0.907 321 K HN 0.384 nan 8.250 nan 0.000 0.554 322 A N 0.511 123.336 122.820 0.008 0.000 2.302 322 A HA 0.333 4.653 4.320 -0.001 0.000 0.285 322 A C 0.579 178.200 177.584 0.063 0.000 1.105 322 A CA -0.354 51.696 52.037 0.023 0.000 0.816 322 A CB 0.887 19.859 19.000 -0.047 0.000 1.067 322 A HN 0.075 nan 8.150 nan 0.000 0.489 323 S N -0.415 115.358 115.700 0.122 0.000 2.512 323 S HA 0.529 4.999 4.470 -0.001 0.000 0.216 323 S C 0.431 175.231 174.600 0.333 0.000 1.006 323 S CA 0.571 58.861 58.200 0.151 0.000 0.915 323 S CB 0.151 63.316 63.200 -0.058 0.000 0.824 323 S HN 1.390 nan 8.310 nan 0.000 0.497 324 A N 1.135 124.188 122.820 0.389 0.000 2.601 324 A HA 0.724 5.043 4.320 -0.001 0.000 0.291 324 A C -2.266 175.513 177.584 0.324 0.000 1.075 324 A CA -0.490 51.746 52.037 0.331 0.000 0.671 324 A CB 1.106 20.276 19.000 0.284 0.000 1.277 324 A HN 0.133 nan 8.150 nan 0.000 0.417 325 F N 1.190 121.187 119.950 0.078 0.000 2.607 325 F HA 0.627 5.153 4.527 -0.001 0.000 0.322 325 F C -1.444 174.391 175.800 0.059 0.000 1.176 325 F CA -1.618 56.415 58.000 0.054 0.000 0.977 325 F CB 1.120 40.147 39.000 0.046 0.000 1.242 325 F HN 0.466 nan 8.300 nan 0.000 0.465 326 I N 5.405 126.080 120.570 0.174 0.000 2.312 326 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 326 I C 0.189 176.175 176.117 -0.218 0.000 1.031 326 I CA -0.088 61.209 61.300 -0.005 0.000 1.293 326 I CB 1.437 39.515 38.000 0.130 0.000 1.403 326 I HN 0.632 nan 8.210 nan 0.000 0.484 327 T N 3.804 118.106 114.554 -0.421 0.000 2.896 327 T HA 0.261 4.610 4.350 -0.001 0.000 0.297 327 T C 0.760 175.390 174.700 -0.116 0.000 1.108 327 T CA -0.590 61.190 62.100 -0.534 0.000 1.004 327 T CB 0.990 69.150 68.868 -1.179 0.000 1.159 327 T HN 0.694 nan 8.240 nan 0.000 0.499 328 H N 1.798 120.770 119.070 -0.164 0.000 2.551 328 H HA 0.351 4.907 4.556 -0.001 0.000 0.266 328 H C 1.175 176.456 175.328 -0.078 0.000 0.977 328 H CA 0.862 56.852 56.048 -0.097 0.000 1.163 328 H CB -0.825 28.933 29.762 -0.006 0.000 1.381 328 H HN 1.060 nan 8.280 nan 0.000 0.581 329 A N 0.055 122.678 122.820 -0.329 0.000 2.925 329 A HA -0.115 4.204 4.320 -0.001 0.000 0.265 329 A C 1.265 178.595 177.584 -0.424 0.000 1.419 329 A CA 0.849 52.705 52.037 -0.302 0.000 0.807 329 A CB -2.333 16.565 19.000 -0.170 0.000 1.043 329 A HN 1.015 nan 8.150 nan 0.000 0.600 330 G N -1.970 106.267 108.800 -0.938 0.000 2.559 330 G HA2 0.348 4.307 3.960 -0.001 0.000 0.235 330 G HA3 0.348 4.307 3.960 -0.001 0.000 0.235 330 G C 0.748 175.578 174.900 -0.118 0.000 1.266 330 G CA 0.468 45.296 45.100 -0.453 0.000 0.847 330 G HN 1.016 nan 8.290 nan 0.000 0.583 331 M N 2.256 121.837 119.600 -0.032 0.000 2.159 331 M HA 0.039 4.519 4.480 -0.001 0.000 0.263 331 M C 2.458 178.754 176.300 -0.006 0.000 1.063 331 M CA 2.271 57.561 55.300 -0.017 0.000 1.110 331 M CB -0.751 31.852 32.600 0.006 0.000 1.374 331 M HN 0.574 nan 8.290 nan 0.000 0.411 332 G N -1.341 107.486 108.800 0.045 0.000 2.459 332 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 332 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 332 G C 1.546 176.503 174.900 0.093 0.000 1.183 332 G CA 1.118 46.268 45.100 0.083 0.000 0.776 332 G HN 0.527 nan 8.290 nan 0.000 0.552 333 S N 0.223 116.014 115.700 0.152 0.000 2.368 333 S HA -0.123 4.346 4.470 -0.001 0.000 0.225 333 S C 2.547 177.291 174.600 0.240 0.000 1.030 333 S CA 1.733 60.089 58.200 0.259 0.000 0.999 333 S CB -0.502 62.947 63.200 0.415 0.000 0.844 333 S HN 0.462 nan 8.310 nan 0.000 0.459 334 T N 2.535 117.142 114.554 0.088 0.000 2.652 334 T HA -0.038 4.311 4.350 -0.001 0.000 0.267 334 T C 1.839 176.523 174.700 -0.026 0.000 1.039 334 T CA 1.174 63.275 62.100 0.001 0.000 1.153 334 T CB -0.258 68.532 68.868 -0.129 0.000 0.863 334 T HN 0.230 nan 8.240 nan 0.000 0.428 335 M N 1.036 120.608 119.600 -0.046 0.000 2.229 335 M HA 0.014 4.493 4.480 -0.001 0.000 0.264 335 M C 2.115 178.492 176.300 0.128 0.000 1.063 335 M CA 1.278 56.577 55.300 -0.002 0.000 1.114 335 M CB -1.033 31.579 32.600 0.019 0.000 1.387 335 M HN 0.387 nan 8.290 nan 0.000 0.420 336 E N 0.411 120.672 120.200 0.101 0.000 2.072 336 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 336 E C 2.143 178.763 176.600 0.032 0.000 0.985 336 E CA 1.301 57.708 56.400 0.012 0.000 0.801 336 E CB -0.141 29.438 29.700 -0.201 0.000 0.750 336 E HN 0.492 nan 8.360 nan 0.000 0.452 337 A N 1.238 124.108 122.820 0.082 0.000 1.877 337 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 337 A C 2.200 179.843 177.584 0.099 0.000 1.186 337 A CA 1.106 53.212 52.037 0.116 0.000 0.620 337 A CB -0.675 18.514 19.000 0.315 0.000 0.822 337 A HN 0.136 nan 8.150 nan 0.000 0.443 338 L N -0.376 120.898 121.223 0.085 0.000 2.141 338 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 338 L C 2.691 179.604 176.870 0.071 0.000 1.094 338 L CA 1.274 56.153 54.840 0.066 0.000 0.763 338 L CB -0.422 41.650 42.059 0.021 0.000 0.908 338 L HN 0.309 nan 8.230 nan 0.000 0.437 339 S N -0.144 115.613 115.700 0.096 0.000 2.419 339 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 339 S C 1.388 176.045 174.600 0.095 0.000 1.016 339 S CA 0.941 59.209 58.200 0.113 0.000 0.974 339 S CB -0.169 63.165 63.200 0.223 0.000 0.786 339 S HN 0.467 nan 8.310 nan 0.000 0.492 340 N N 0.558 119.307 118.700 0.082 0.000 2.214 340 N HA 0.320 5.059 4.740 -0.001 0.000 0.214 340 N C 0.311 175.854 175.510 0.055 0.000 1.132 340 N CA 0.572 53.657 53.050 0.059 0.000 0.856 340 N CB 0.723 39.230 38.487 0.033 0.000 1.020 340 N HN 0.272 nan 8.380 nan 0.000 0.509 341 A N 0.329 123.187 122.820 0.064 0.000 2.745 341 A HA -0.177 4.142 4.320 -0.001 0.000 0.296 341 A C -0.005 177.627 177.584 0.079 0.000 1.500 341 A CA 0.442 52.520 52.037 0.067 0.000 0.766 341 A CB -2.163 16.870 19.000 0.056 0.000 1.030 341 A HN 0.058 nan 8.150 nan 0.000 0.489 342 V N 2.153 122.124 119.914 0.094 0.000 2.350 342 V HA 0.451 4.570 4.120 -0.001 0.000 0.276 342 V C -1.487 174.702 176.094 0.158 0.000 1.028 342 V CA -1.228 61.146 62.300 0.122 0.000 0.860 342 V CB 1.366 33.257 31.823 0.113 0.000 0.990 342 V HN 0.522 nan 8.190 nan 0.000 0.453 343 P HA 0.284 nan 4.420 nan 0.000 0.271 343 P C -0.776 176.622 177.300 0.164 0.000 1.218 343 P CA -0.218 62.968 63.100 0.143 0.000 0.780 343 P CB 0.878 32.657 31.700 0.132 0.000 0.901 344 M N 1.203 120.874 119.600 0.118 0.000 2.535 344 M HA 0.387 4.867 4.480 -0.001 0.000 0.314 344 M C -0.813 175.507 176.300 0.034 0.000 1.153 344 M CA -1.065 54.279 55.300 0.073 0.000 0.924 344 M CB 2.581 35.196 32.600 0.026 0.000 1.710 344 M HN -0.033 nan 8.290 nan 0.000 0.451 345 V N 2.174 122.087 119.914 -0.002 0.000 2.350 345 V HA 0.634 4.753 4.120 -0.001 0.000 0.285 345 V C -0.309 175.770 176.094 -0.025 0.000 1.014 345 V CA -0.752 61.552 62.300 0.006 0.000 0.831 345 V CB 1.226 33.058 31.823 0.016 0.000 1.000 345 V HN 0.913 nan 8.190 nan 0.000 0.433 346 A N 4.799 127.619 122.820 -0.000 0.000 2.276 346 A HA 0.774 5.094 4.320 -0.001 0.000 0.316 346 A C -0.442 177.170 177.584 0.046 0.000 1.229 346 A CA -0.425 51.593 52.037 -0.033 0.000 0.851 346 A CB 1.179 20.135 19.000 -0.073 0.000 1.165 346 A HN 0.700 nan 8.150 nan 0.000 0.513 347 V N 5.587 125.494 119.914 -0.011 0.000 2.266 347 V HA 0.243 4.362 4.120 -0.001 0.000 0.266 347 V C -2.474 173.568 176.094 -0.086 0.000 1.036 347 V CA -1.365 60.911 62.300 -0.041 0.000 0.828 347 V CB 0.741 32.479 31.823 -0.142 0.000 1.081 347 V HN 0.748 nan 8.190 nan 0.000 0.449 348 P HA 0.370 nan 4.420 nan 0.000 0.272 348 P C 0.621 177.876 177.300 -0.076 0.000 1.223 348 P CA 0.393 63.461 63.100 -0.054 0.000 0.784 348 P CB 1.012 32.675 31.700 -0.062 0.000 0.923 349 Q N 2.860 122.623 119.800 -0.063 0.000 2.388 349 Q HA 0.216 4.555 4.340 -0.001 0.000 0.204 349 Q C 1.110 176.995 176.000 -0.192 0.000 0.946 349 Q CA 0.944 56.667 55.803 -0.132 0.000 0.880 349 Q CB -0.614 28.070 28.738 -0.089 0.000 0.997 349 Q HN 0.682 nan 8.270 nan 0.000 0.552 350 I N -4.826 115.622 120.570 -0.202 0.000 2.982 350 I HA 0.842 5.012 4.170 -0.001 0.000 0.312 350 I C 1.442 177.519 176.117 -0.066 0.000 1.041 350 I CA -0.564 60.621 61.300 -0.191 0.000 1.053 350 I CB 1.883 39.706 38.000 -0.295 0.000 1.248 350 I HN 0.114 nan 8.210 nan 0.000 0.471 351 A N 1.522 124.327 122.820 -0.024 0.000 1.917 351 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 351 A C 2.148 179.790 177.584 0.095 0.000 1.182 351 A CA 2.190 54.246 52.037 0.033 0.000 0.633 351 A CB -0.941 18.088 19.000 0.049 0.000 0.819 351 A HN 0.976 nan 8.150 nan 0.000 0.448 352 E N -0.299 119.977 120.200 0.127 0.000 2.070 352 E HA -0.308 4.041 4.350 -0.001 0.000 0.197 352 E C 2.117 178.829 176.600 0.187 0.000 1.004 352 E CA 1.837 58.377 56.400 0.234 0.000 0.805 352 E CB -0.187 29.578 29.700 0.109 0.000 0.744 352 E HN 0.798 nan 8.360 nan 0.000 0.451 353 Q N -0.478 119.352 119.800 0.051 0.000 2.167 353 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 353 Q C 2.178 178.139 176.000 -0.065 0.000 0.970 353 Q CA 1.881 57.665 55.803 -0.031 0.000 0.855 353 Q CB 0.038 28.717 28.738 -0.098 0.000 0.911 353 Q HN 0.245 nan 8.270 nan 0.000 0.438 354 T N 0.745 115.269 114.554 -0.050 0.000 2.746 354 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 354 T C 1.756 176.385 174.700 -0.119 0.000 1.039 354 T CA 1.181 63.218 62.100 -0.106 0.000 1.142 354 T CB -0.122 68.739 68.868 -0.013 0.000 0.866 354 T HN 0.253 nan 8.240 nan 0.000 0.444 355 M N 1.217 120.803 119.600 -0.023 0.000 2.117 355 M HA -0.105 4.375 4.480 -0.001 0.000 0.262 355 M C 2.197 178.441 176.300 -0.094 0.000 1.065 355 M CA 1.283 56.542 55.300 -0.069 0.000 1.114 355 M CB -0.524 32.047 32.600 -0.048 0.000 1.361 355 M HN 0.143 nan 8.290 nan 0.000 0.408 356 N N 0.939 119.664 118.700 0.042 0.000 2.120 356 N HA -0.087 4.652 4.740 -0.001 0.000 0.188 356 N C 1.747 177.260 175.510 0.006 0.000 1.024 356 N CA 1.731 54.859 53.050 0.130 0.000 0.852 356 N CB -0.529 38.092 38.487 0.223 0.000 1.003 356 N HN 0.344 nan 8.380 nan 0.000 0.424 357 A N 1.324 124.052 122.820 -0.153 0.000 1.933 357 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 357 A C 2.088 179.512 177.584 -0.268 0.000 1.175 357 A CA 1.397 53.256 52.037 -0.297 0.000 0.628 357 A CB -0.500 18.069 19.000 -0.718 0.000 0.814 357 A HN 0.350 nan 8.150 nan 0.000 0.444 358 E N -0.705 119.341 120.200 -0.256 0.000 2.110 358 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 358 E C 2.288 178.782 176.600 -0.176 0.000 0.988 358 E CA 0.824 57.131 56.400 -0.155 0.000 0.804 358 E CB -0.124 29.498 29.700 -0.130 0.000 0.745 358 E HN 0.303 nan 8.360 nan 0.000 0.458 359 R N 0.579 120.918 120.500 -0.268 0.000 2.081 359 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 359 R C 2.318 178.465 176.300 -0.254 0.000 1.131 359 R CA 0.909 56.754 56.100 -0.426 0.000 0.960 359 R CB -0.671 29.059 30.300 -0.950 0.000 0.856 359 R HN 0.293 nan 8.270 nan 0.000 0.436 360 I N 0.288 120.815 120.570 -0.072 0.000 2.163 360 I HA -0.276 3.894 4.170 -0.001 0.000 0.243 360 I C 2.324 178.450 176.117 0.015 0.000 1.085 360 I CA 1.193 62.534 61.300 0.068 0.000 1.347 360 I CB -0.312 37.747 38.000 0.098 0.000 1.044 360 I HN -0.104 nan 8.210 nan 0.000 0.408 361 V N 0.572 120.477 119.914 -0.015 0.000 2.270 361 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 361 V C 2.324 178.403 176.094 -0.024 0.000 1.043 361 V CA 1.929 64.229 62.300 0.000 0.000 1.014 361 V CB -0.658 31.178 31.823 0.022 0.000 0.645 361 V HN 0.418 nan 8.190 nan 0.000 0.447 362 E N -0.003 120.158 120.200 -0.064 0.000 2.118 362 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 362 E C 2.000 178.561 176.600 -0.065 0.000 0.992 362 E CA 1.227 57.579 56.400 -0.080 0.000 0.804 362 E CB -0.172 29.449 29.700 -0.131 0.000 0.741 362 E HN 0.505 nan 8.360 nan 0.000 0.458 363 L N -0.585 120.602 121.223 -0.059 0.000 2.558 363 L HA 0.135 4.474 4.340 -0.001 0.000 0.225 363 L C 1.113 177.989 176.870 0.010 0.000 1.128 363 L CA 0.222 55.048 54.840 -0.023 0.000 0.868 363 L CB 0.066 42.127 42.059 0.003 0.000 1.006 363 L HN 0.251 nan 8.230 nan 0.000 0.454 364 G N 0.730 109.536 108.800 0.011 0.000 2.225 364 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.264 364 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.264 364 G C 0.419 175.344 174.900 0.042 0.000 1.060 364 G CA 0.188 45.302 45.100 0.023 0.000 0.833 364 G HN 0.364 nan 8.290 nan 0.000 0.498 365 L N -0.834 120.423 121.223 0.057 0.000 2.766 365 L HA 0.573 4.912 4.340 -0.001 0.000 0.242 365 L C 1.401 178.318 176.870 0.077 0.000 1.136 365 L CA 0.416 55.302 54.840 0.077 0.000 0.933 365 L CB 0.343 42.466 42.059 0.107 0.000 1.241 365 L HN 0.707 nan 8.230 nan 0.000 0.522 366 G N -0.165 108.673 108.800 0.064 0.000 2.335 366 G HA2 0.361 4.320 3.960 -0.001 0.000 0.291 366 G HA3 0.361 4.320 3.960 -0.001 0.000 0.291 366 G C -1.594 173.339 174.900 0.054 0.000 1.261 366 G CA -0.846 44.291 45.100 0.061 0.000 0.871 366 G HN -0.105 nan 8.290 nan 0.000 0.491 367 R N -0.444 120.089 120.500 0.055 0.000 2.803 367 R HA 0.542 4.881 4.340 -0.001 0.000 0.276 367 R C -1.205 175.161 176.300 0.110 0.000 0.978 367 R CA -0.882 55.257 56.100 0.065 0.000 0.939 367 R CB 2.267 32.592 30.300 0.042 0.000 1.179 367 R HN 0.688 nan 8.270 nan 0.000 0.472 368 H N 2.854 121.916 119.070 -0.014 0.000 2.589 368 H HA 0.405 4.960 4.556 -0.001 0.000 0.335 368 H C -0.996 174.320 175.328 -0.021 0.000 1.019 368 H CA -0.674 55.361 56.048 -0.022 0.000 1.213 368 H CB 0.975 30.721 29.762 -0.026 0.000 1.472 368 H HN 0.422 nan 8.280 nan 0.000 0.508 369 I N 7.829 128.428 120.570 0.048 0.000 2.405 369 I HA 0.238 4.407 4.170 -0.001 0.000 0.280 369 I C -2.396 173.669 176.117 -0.087 0.000 1.027 369 I CA -2.189 59.063 61.300 -0.081 0.000 1.161 369 I CB 1.631 39.630 38.000 -0.002 0.000 1.300 369 I HN 0.457 nan 8.210 nan 0.000 0.463 370 P HA 0.096 nan 4.420 nan 0.000 0.265 370 P C 0.712 177.968 177.300 -0.073 0.000 1.187 370 P CA -0.069 62.955 63.100 -0.127 0.000 0.766 370 P CB 0.697 32.292 31.700 -0.175 0.000 0.820 371 R N 2.115 122.569 120.500 -0.076 0.000 2.113 371 R HA -0.209 4.130 4.340 -0.001 0.000 0.244 371 R C 0.794 177.046 176.300 -0.079 0.000 1.142 371 R CA 2.391 58.416 56.100 -0.125 0.000 0.953 371 R CB -0.559 29.633 30.300 -0.180 0.000 0.860 371 R HN 0.672 nan 8.270 nan 0.000 0.438 372 D N -1.182 119.181 120.400 -0.062 0.000 2.325 372 D HA 0.000 4.640 4.640 -0.001 0.000 0.234 372 D C 1.071 177.353 176.300 -0.030 0.000 1.122 372 D CA 0.348 54.325 54.000 -0.038 0.000 0.850 372 D CB 0.207 40.987 40.800 -0.033 0.000 0.921 372 D HN 0.251 nan 8.370 nan 0.000 0.513 373 Q N 0.171 119.950 119.800 -0.036 0.000 2.179 373 Q HA 0.376 4.715 4.340 -0.001 0.000 0.213 373 Q C 0.591 176.582 176.000 -0.014 0.000 0.833 373 Q CA -0.188 55.595 55.803 -0.034 0.000 0.990 373 Q CB -0.053 28.649 28.738 -0.060 0.000 1.132 373 Q HN 0.304 nan 8.270 nan 0.000 0.493 374 V N 2.810 122.732 119.914 0.014 0.000 2.555 374 V HA 0.555 4.675 4.120 -0.001 0.000 0.286 374 V C 0.660 176.769 176.094 0.026 0.000 1.044 374 V CA 0.597 62.928 62.300 0.051 0.000 1.026 374 V CB 1.067 32.986 31.823 0.161 0.000 0.981 374 V HN 0.692 nan 8.190 nan 0.000 0.480 375 T N 1.417 115.973 114.554 0.003 0.000 2.865 375 T HA 0.686 5.035 4.350 -0.001 0.000 0.294 375 T C 0.926 175.600 174.700 -0.043 0.000 1.119 375 T CA -0.073 62.016 62.100 -0.019 0.000 1.007 375 T CB 1.965 70.822 68.868 -0.020 0.000 1.225 375 T HN 0.629 nan 8.240 nan 0.000 0.515 376 A N 0.597 123.384 122.820 -0.056 0.000 1.883 376 A HA 0.090 4.409 4.320 -0.001 0.000 0.217 376 A C 2.529 180.076 177.584 -0.062 0.000 1.186 376 A CA 2.547 54.541 52.037 -0.073 0.000 0.624 376 A CB -1.824 17.137 19.000 -0.065 0.000 0.822 376 A HN 1.268 nan 8.150 nan 0.000 0.444 377 E N -0.731 119.442 120.200 -0.045 0.000 2.077 377 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 377 E C 2.244 178.819 176.600 -0.040 0.000 0.989 377 E CA 2.731 59.107 56.400 -0.040 0.000 0.800 377 E CB -1.270 28.413 29.700 -0.029 0.000 0.746 377 E HN 0.894 nan 8.360 nan 0.000 0.452 378 K N 0.528 120.907 120.400 -0.035 0.000 2.057 378 K HA 0.152 4.472 4.320 -0.001 0.000 0.207 378 K C 2.412 178.991 176.600 -0.035 0.000 1.049 378 K CA 1.294 57.563 56.287 -0.029 0.000 0.931 378 K CB -0.863 31.624 32.500 -0.021 0.000 0.714 378 K HN 0.435 nan 8.250 nan 0.000 0.440 379 L N -0.233 120.964 121.223 -0.043 0.000 1.994 379 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 379 L C 3.042 179.858 176.870 -0.091 0.000 1.071 379 L CA 1.827 56.633 54.840 -0.055 0.000 0.745 379 L CB -0.317 41.695 42.059 -0.078 0.000 0.892 379 L HN 0.476 nan 8.230 nan 0.000 0.431 380 R N 0.129 120.567 120.500 -0.103 0.000 2.080 380 R HA -0.235 4.104 4.340 -0.001 0.000 0.236 380 R C 2.420 178.654 176.300 -0.110 0.000 1.137 380 R CA 2.179 58.201 56.100 -0.129 0.000 0.943 380 R CB -0.327 29.912 30.300 -0.102 0.000 0.846 380 R HN 0.203 nan 8.270 nan 0.000 0.431 381 E N -0.221 119.939 120.200 -0.067 0.000 2.085 381 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 381 E C 1.805 178.381 176.600 -0.040 0.000 0.994 381 E CA 1.200 57.574 56.400 -0.044 0.000 0.801 381 E CB -0.423 29.260 29.700 -0.028 0.000 0.743 381 E HN 0.624 nan 8.360 nan 0.000 0.453 382 A N 0.039 122.834 122.820 -0.042 0.000 1.877 382 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 382 A C 2.600 180.161 177.584 -0.039 0.000 1.186 382 A CA 1.762 53.783 52.037 -0.026 0.000 0.620 382 A CB -0.890 18.101 19.000 -0.016 0.000 0.822 382 A HN 0.407 nan 8.150 nan 0.000 0.443 383 V N 0.175 120.031 119.914 -0.097 0.000 2.287 383 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 383 V C 2.600 178.616 176.094 -0.130 0.000 1.053 383 V CA 2.088 64.286 62.300 -0.170 0.000 1.027 383 V CB -0.771 30.832 31.823 -0.366 0.000 0.646 383 V HN 0.575 nan 8.190 nan 0.000 0.447 384 L N -0.204 120.946 121.223 -0.121 0.000 2.046 384 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 384 L C 2.706 179.616 176.870 0.067 0.000 1.077 384 L CA 1.614 56.458 54.840 0.007 0.000 0.747 384 L CB -0.786 41.273 42.059 0.000 0.000 0.896 384 L HN 0.379 nan 8.230 nan 0.000 0.432 385 A N 0.097 122.936 122.820 0.033 0.000 1.855 385 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 385 A C 2.301 179.923 177.584 0.063 0.000 1.191 385 A CA 1.935 53.999 52.037 0.044 0.000 0.613 385 A CB -0.940 18.075 19.000 0.025 0.000 0.829 385 A HN 0.314 nan 8.150 nan 0.000 0.442 386 V N -2.645 117.306 119.914 0.062 0.000 2.515 386 V HA 0.048 4.167 4.120 -0.001 0.000 0.250 386 V C 2.396 178.560 176.094 0.117 0.000 1.058 386 V CA 1.762 64.109 62.300 0.079 0.000 1.064 386 V CB -1.240 30.628 31.823 0.075 0.000 0.675 386 V HN 0.498 nan 8.190 nan 0.000 0.461 387 A N 1.137 124.056 122.820 0.165 0.000 2.119 387 A HA 0.042 4.361 4.320 -0.001 0.000 0.216 387 A C 2.321 180.012 177.584 0.178 0.000 1.152 387 A CA 1.550 53.731 52.037 0.240 0.000 0.708 387 A CB -0.468 18.822 19.000 0.484 0.000 0.805 387 A HN 0.946 nan 8.150 nan 0.000 0.460 388 S N -1.405 114.380 115.700 0.142 0.000 2.559 388 S HA 0.097 4.567 4.470 -0.001 0.000 0.226 388 S C 0.121 174.766 174.600 0.074 0.000 1.000 388 S CA -0.101 58.162 58.200 0.105 0.000 0.948 388 S CB -0.115 63.150 63.200 0.109 0.000 0.870 388 S HN 0.371 nan 8.310 nan 0.000 0.497 389 D N 3.925 124.368 120.400 0.071 0.000 2.338 389 D HA 0.195 4.835 4.640 -0.001 0.000 0.255 389 D C -1.341 174.988 176.300 0.049 0.000 1.237 389 D CA -1.567 52.465 54.000 0.054 0.000 0.883 389 D CB 1.761 42.592 40.800 0.051 0.000 1.087 389 D HN 0.130 nan 8.370 nan 0.000 0.485 390 P HA -0.040 nan 4.420 nan 0.000 0.221 390 P C 1.284 178.604 177.300 0.033 0.000 1.150 390 P CA 0.505 63.626 63.100 0.035 0.000 0.800 390 P CB 0.310 32.027 31.700 0.029 0.000 0.787 391 G N 0.594 109.412 108.800 0.031 0.000 2.404 391 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.215 391 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.215 391 G C 1.712 176.632 174.900 0.033 0.000 1.174 391 G CA 0.614 45.731 45.100 0.028 0.000 0.780 391 G HN 0.136 nan 8.290 nan 0.000 0.537 392 V N 1.723 121.661 119.914 0.040 0.000 2.287 392 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 392 V C 3.357 179.482 176.094 0.052 0.000 1.053 392 V CA 2.149 64.479 62.300 0.049 0.000 1.027 392 V CB -0.926 30.931 31.823 0.057 0.000 0.646 392 V HN 0.478 nan 8.190 nan 0.000 0.447 393 A N -0.571 122.280 122.820 0.051 0.000 1.908 393 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 393 A C 2.260 179.869 177.584 0.042 0.000 1.181 393 A CA 2.152 54.219 52.037 0.050 0.000 0.627 393 A CB -0.561 18.467 19.000 0.047 0.000 0.818 393 A HN 0.634 nan 8.150 nan 0.000 0.445 394 E N -0.431 119.790 120.200 0.036 0.000 2.058 394 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 394 E C 2.300 178.919 176.600 0.032 0.000 0.997 394 E CA 1.306 57.724 56.400 0.030 0.000 0.801 394 E CB -0.081 29.634 29.700 0.025 0.000 0.746 394 E HN 0.596 nan 8.360 nan 0.000 0.450 395 R N -0.087 120.434 120.500 0.035 0.000 2.092 395 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 395 R C 2.559 178.887 176.300 0.047 0.000 1.119 395 R CA 0.996 57.118 56.100 0.038 0.000 0.970 395 R CB -0.238 30.084 30.300 0.037 0.000 0.864 395 R HN 0.258 nan 8.270 nan 0.000 0.440 396 L N 0.199 121.454 121.223 0.053 0.000 2.083 396 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 396 L C 2.678 179.579 176.870 0.051 0.000 1.083 396 L CA 1.182 56.058 54.840 0.060 0.000 0.752 396 L CB -0.552 41.547 42.059 0.067 0.000 0.899 396 L HN 0.234 nan 8.230 nan 0.000 0.433 397 A N 0.034 122.880 122.820 0.044 0.000 1.902 397 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 397 A C 2.535 180.139 177.584 0.034 0.000 1.181 397 A CA 1.771 53.830 52.037 0.037 0.000 0.623 397 A CB -0.698 18.321 19.000 0.031 0.000 0.818 397 A HN 0.403 nan 8.150 nan 0.000 0.443 398 A N -0.648 122.192 122.820 0.033 0.000 1.877 398 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 398 A C 2.223 179.827 177.584 0.035 0.000 1.186 398 A CA 1.828 53.883 52.037 0.030 0.000 0.620 398 A CB -0.917 18.099 19.000 0.027 0.000 0.822 398 A HN 0.405 nan 8.150 nan 0.000 0.443 399 V N 0.024 119.964 119.914 0.044 0.000 2.427 399 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 399 V C 2.616 178.738 176.094 0.046 0.000 1.051 399 V CA 2.100 64.432 62.300 0.052 0.000 1.048 399 V CB -0.820 31.046 31.823 0.072 0.000 0.666 399 V HN 0.673 nan 8.190 nan 0.000 0.456 400 R N 0.028 120.554 120.500 0.045 0.000 2.091 400 R HA -0.264 4.075 4.340 -0.001 0.000 0.238 400 R C 2.366 178.685 176.300 0.032 0.000 1.136 400 R CA 2.109 58.234 56.100 0.041 0.000 0.959 400 R CB -0.196 30.130 30.300 0.043 0.000 0.856 400 R HN 0.482 nan 8.270 nan 0.000 0.437 401 Q N 0.510 120.327 119.800 0.030 0.000 2.079 401 Q HA -0.129 4.211 4.340 -0.001 0.000 0.200 401 Q C 1.973 177.986 176.000 0.022 0.000 0.974 401 Q CA 2.179 57.996 55.803 0.024 0.000 0.840 401 Q CB -0.019 28.732 28.738 0.021 0.000 0.898 401 Q HN 0.275 nan 8.270 nan 0.000 0.430 402 E N -0.172 120.043 120.200 0.026 0.000 2.085 402 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 402 E C 2.024 178.640 176.600 0.027 0.000 0.994 402 E CA 1.372 57.788 56.400 0.027 0.000 0.801 402 E CB -0.569 29.150 29.700 0.032 0.000 0.743 402 E HN 0.618 nan 8.360 nan 0.000 0.453 403 I N 0.130 120.716 120.570 0.026 0.000 2.226 403 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 403 I C 2.721 178.841 176.117 0.004 0.000 1.100 403 I CA 1.352 62.662 61.300 0.017 0.000 1.374 403 I CB -0.305 37.705 38.000 0.016 0.000 1.057 403 I HN 0.102 nan 8.210 nan 0.000 0.413 404 R N 0.571 121.076 120.500 0.008 0.000 2.193 404 R HA -0.163 4.176 4.340 -0.001 0.000 0.229 404 R C 1.553 177.855 176.300 0.005 0.000 1.110 404 R CA 1.130 57.231 56.100 0.002 0.000 0.988 404 R CB -0.191 30.115 30.300 0.009 0.000 0.871 404 R HN 0.480 nan 8.270 nan 0.000 0.458 405 E N -0.459 119.748 120.200 0.012 0.000 2.472 405 E HA 0.091 4.441 4.350 -0.001 0.000 0.196 405 E C 1.376 177.988 176.600 0.020 0.000 1.033 405 E CA 0.184 56.593 56.400 0.015 0.000 0.886 405 E CB 0.590 30.301 29.700 0.017 0.000 0.944 405 E HN 0.281 nan 8.360 nan 0.000 0.492 406 A N 0.333 123.166 122.820 0.022 0.000 2.067 406 A HA 0.217 4.536 4.320 -0.001 0.000 0.217 406 A C 1.891 179.495 177.584 0.034 0.000 1.156 406 A CA 1.283 53.343 52.037 0.037 0.000 0.683 406 A CB -0.152 18.875 19.000 0.046 0.000 0.808 406 A HN 0.361 nan 8.150 nan 0.000 0.455 407 G N -2.712 106.097 108.800 0.015 0.000 2.436 407 G HA2 0.221 4.181 3.960 -0.001 0.000 0.204 407 G HA3 0.221 4.181 3.960 -0.001 0.000 0.204 407 G C 1.632 176.530 174.900 -0.003 0.000 1.026 407 G CA 0.636 45.742 45.100 0.011 0.000 0.658 407 G HN 2.158 nan 8.290 nan 0.000 0.499 408 G N 0.420 109.213 108.800 -0.013 0.000 2.578 408 G HA2 0.139 4.099 3.960 -0.001 0.000 0.275 408 G HA3 0.139 4.099 3.960 -0.001 0.000 0.275 408 G C 1.516 176.403 174.900 -0.020 0.000 1.271 408 G CA 2.295 47.371 45.100 -0.041 0.000 0.941 408 G HN 1.988 nan 8.290 nan 0.000 0.564 409 A N -0.810 121.993 122.820 -0.029 0.000 1.978 409 A HA -0.042 4.277 4.320 -0.001 0.000 0.220 409 A C 2.487 180.086 177.584 0.025 0.000 1.170 409 A CA 2.344 54.387 52.037 0.010 0.000 0.636 409 A CB -0.400 18.607 19.000 0.012 0.000 0.810 409 A HN 0.713 nan 8.150 nan 0.000 0.448 410 R N -0.558 119.950 120.500 0.014 0.000 2.083 410 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 410 R C 2.526 178.840 176.300 0.023 0.000 1.137 410 R CA 1.391 57.505 56.100 0.022 0.000 0.951 410 R CB -0.491 29.818 30.300 0.015 0.000 0.851 410 R HN 0.510 nan 8.270 nan 0.000 0.434 411 A N 1.060 123.889 122.820 0.016 0.000 1.902 411 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 411 A C 2.358 179.949 177.584 0.012 0.000 1.181 411 A CA 1.674 53.720 52.037 0.015 0.000 0.623 411 A CB -0.692 18.318 19.000 0.016 0.000 0.818 411 A HN 0.420 nan 8.150 nan 0.000 0.443 412 A N -0.088 122.740 122.820 0.014 0.000 1.877 412 A HA 0.142 4.461 4.320 -0.001 0.000 0.216 412 A C 2.515 180.109 177.584 0.018 0.000 1.186 412 A CA 2.171 54.214 52.037 0.010 0.000 0.620 412 A CB -1.046 17.969 19.000 0.025 0.000 0.822 412 A HN 1.072 nan 8.150 nan 0.000 0.443 413 A N 0.008 122.855 122.820 0.044 0.000 1.933 413 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 413 A C 1.745 179.351 177.584 0.036 0.000 1.175 413 A CA 1.883 53.954 52.037 0.057 0.000 0.628 413 A CB -0.622 18.431 19.000 0.088 0.000 0.814 413 A HN 0.466 nan 8.150 nan 0.000 0.444 414 D N 0.241 120.659 120.400 0.030 0.000 2.116 414 D HA -0.169 4.470 4.640 -0.001 0.000 0.193 414 D C 1.816 178.117 176.300 0.001 0.000 0.998 414 D CA 1.428 55.441 54.000 0.021 0.000 0.836 414 D CB -0.417 40.394 40.800 0.017 0.000 0.951 414 D HN 0.539 nan 8.370 nan 0.000 0.449 415 I N 0.468 121.031 120.570 -0.013 0.000 2.127 415 I HA -0.256 3.913 4.170 -0.001 0.000 0.241 415 I C 2.458 178.543 176.117 -0.053 0.000 1.075 415 I CA 0.803 62.082 61.300 -0.036 0.000 1.334 415 I CB -0.213 37.758 38.000 -0.048 0.000 1.040 415 I HN -0.014 nan 8.210 nan 0.000 0.405 416 L N 0.127 121.317 121.223 -0.056 0.000 2.046 416 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 416 L C 2.490 179.313 176.870 -0.079 0.000 1.077 416 L CA 1.472 56.261 54.840 -0.085 0.000 0.747 416 L CB -0.675 41.329 42.059 -0.091 0.000 0.896 416 L HN 0.276 nan 8.230 nan 0.000 0.432 417 E N 0.088 120.263 120.200 -0.041 0.000 2.153 417 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 417 E C 2.232 178.824 176.600 -0.013 0.000 0.988 417 E CA 0.931 57.322 56.400 -0.016 0.000 0.811 417 E CB -0.245 29.489 29.700 0.056 0.000 0.746 417 E HN 0.578 nan 8.360 nan 0.000 0.466 418 G N 1.312 110.100 108.800 -0.019 0.000 2.422 418 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 418 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 418 G C 1.584 176.461 174.900 -0.038 0.000 1.146 418 G CA 0.497 45.583 45.100 -0.023 0.000 0.769 418 G HN 0.127 nan 8.290 nan 0.000 0.547 419 I N 0.181 120.717 120.570 -0.058 0.000 2.286 419 I HA -0.055 4.114 4.170 -0.001 0.000 0.245 419 I C 2.603 178.683 176.117 -0.062 0.000 1.104 419 I CA 0.518 61.774 61.300 -0.072 0.000 1.397 419 I CB -0.131 37.808 38.000 -0.102 0.000 1.072 419 I HN 0.100 nan 8.210 nan 0.000 0.417 420 L N 0.487 121.672 121.223 -0.062 0.000 2.191 420 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 420 L C 2.760 179.620 176.870 -0.018 0.000 1.103 420 L CA 1.020 55.830 54.840 -0.050 0.000 0.769 420 L CB -0.604 41.413 42.059 -0.070 0.000 0.908 420 L HN 0.243 nan 8.230 nan 0.000 0.438 421 A N -0.195 122.619 122.820 -0.011 0.000 2.019 421 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 421 A C 2.204 179.785 177.584 -0.005 0.000 1.164 421 A CA 1.964 54.003 52.037 0.002 0.000 0.644 421 A CB -0.264 18.738 19.000 0.003 0.000 0.805 421 A HN 0.401 nan 8.150 nan 0.000 0.449 422 E N -0.169 120.021 120.200 -0.017 0.000 2.166 422 E HA 0.328 4.677 4.350 -0.001 0.000 0.192 422 E C 1.027 177.616 176.600 -0.018 0.000 0.967 422 E CA 0.737 57.126 56.400 -0.019 0.000 0.840 422 E CB -0.271 29.412 29.700 -0.028 0.000 0.795 422 E HN 0.497 nan 8.360 nan 0.000 0.470 423 A N 0.000 122.806 122.820 -0.023 0.000 2.254 423 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 423 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 423 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486