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 1zl6_1_B DATA FIRST_RESID 1 DATA SEQUENCE PKINSFNYND PVNDRTILYI KPGGCQEFYK SFNIMKNIWI IPERNVIGTT DATA SEQUENCE PQDFXXXXXX XXXXXSYYDP NYLQSDEEKD RFLKIVTKIF NRINNNLSGG DATA SEQUENCE ILLEELSKAN PYLGNDNTPD NQFHIGDASA VEIKFSNGSQ DILLPNVIIM DATA SEQUENCE GAEPDLFETN SSNISLRNNY MPSNHGFGSI AIVTFSPEYS FRFNDNSMNE DATA SEQUENCE FIQDPALTLM HELIHSLHGL YGAKGITTKY TITXXXXXXX XXXXGTNIEE DATA SEQUENCE FLTFGGTDLN IITSAQSNDI YTNLLADYKK IASKLSKVQV SNPLLNPYKD DATA SEQUENCE VFEAKYGLDK DASGIYSVNI NKFNDIFKKL YSFTEFDLAT KFQVKCRQTA DATA SEQUENCE IGQYKYFKLS NLLNDSIYNI SEGYNINNLK VNFRGQNANL NPRIITPITG DATA SEQUENCE RGLVKKIIR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.307 177.300 0.012 0.000 1.155 1 P CA 0.000 63.110 63.100 0.016 0.000 0.800 1 P CB 0.000 31.712 31.700 0.021 0.000 0.726 2 K N 0.800 121.197 120.400 -0.005 0.000 2.379 2 K HA 0.377 4.697 4.320 -0.000 0.000 0.284 2 K C -0.021 176.562 176.600 -0.028 0.000 1.044 2 K CA 0.112 56.387 56.287 -0.020 0.000 0.974 2 K CB -0.007 32.473 32.500 -0.033 0.000 0.962 2 K HN 0.294 nan 8.250 nan 0.000 0.474 3 I N 3.473 124.025 120.570 -0.030 0.000 2.353 3 I HA 0.172 4.342 4.170 -0.000 0.000 0.293 3 I C -0.021 176.029 176.117 -0.112 0.000 0.992 3 I CA -0.591 60.682 61.300 -0.045 0.000 1.268 3 I CB 1.140 39.141 38.000 0.001 0.000 1.387 3 I HN 0.499 nan 8.210 nan 0.000 0.478 4 N N 4.320 122.923 118.700 -0.162 0.000 2.438 4 N HA 0.241 4.981 4.740 -0.000 0.000 0.282 4 N C -0.537 174.694 175.510 -0.466 0.000 1.037 4 N CA -0.296 52.550 53.050 -0.340 0.000 0.942 4 N CB 1.690 39.965 38.487 -0.353 0.000 1.136 4 N HN 0.404 nan 8.380 nan 0.000 0.481 5 S N 1.871 117.242 115.700 -0.549 0.000 2.475 5 S HA 0.530 5.000 4.470 -0.000 0.000 0.281 5 S C -0.659 173.556 174.600 -0.641 0.000 1.198 5 S CA -0.391 57.554 58.200 -0.425 0.000 1.063 5 S CB -0.001 63.051 63.200 -0.246 0.000 0.972 5 S HN 0.303 nan 8.310 nan 0.000 0.486 6 F N 1.952 121.826 119.950 -0.128 0.000 2.577 6 F HA 0.477 5.004 4.527 -0.000 0.000 0.318 6 F C 0.291 175.974 175.800 -0.195 0.000 1.065 6 F CA -1.106 56.799 58.000 -0.158 0.000 0.929 6 F CB 1.505 40.355 39.000 -0.251 0.000 1.237 6 F HN 0.328 nan 8.300 nan 0.000 0.468 7 N N 1.355 120.123 118.700 0.114 0.000 2.417 7 N HA 0.090 4.830 4.740 -0.000 0.000 0.274 7 N C 0.460 176.002 175.510 0.053 0.000 0.987 7 N CA -0.476 52.609 53.050 0.059 0.000 0.912 7 N CB 1.091 39.631 38.487 0.089 0.000 1.177 7 N HN 0.704 nan 8.380 nan 0.000 0.490 8 Y N 3.407 123.649 120.300 -0.098 0.000 2.348 8 Y HA -0.293 4.257 4.550 -0.000 0.000 0.285 8 Y C 1.393 177.434 175.900 0.235 0.000 1.173 8 Y CA 2.054 60.179 58.100 0.042 0.000 1.263 8 Y CB 0.041 38.541 38.460 0.067 0.000 0.974 8 Y HN 0.630 nan 8.280 nan 0.000 0.547 9 N N -1.540 117.283 118.700 0.206 0.000 2.412 9 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 9 N C -0.334 175.238 175.510 0.104 0.000 1.101 9 N CA 0.377 53.516 53.050 0.149 0.000 0.881 9 N CB -0.319 38.262 38.487 0.156 0.000 0.969 9 N HN 0.086 nan 8.380 nan 0.000 0.459 10 D N 2.562 123.044 120.400 0.136 0.000 2.472 10 D HA 0.033 4.673 4.640 -0.000 0.000 0.237 10 D C -1.968 174.379 176.300 0.078 0.000 1.141 10 D CA -0.588 53.495 54.000 0.138 0.000 0.875 10 D CB 0.636 41.582 40.800 0.244 0.000 1.192 10 D HN 0.244 nan 8.370 nan 0.000 0.450 11 P HA -0.011 nan 4.420 nan 0.000 0.269 11 P C -0.172 177.104 177.300 -0.040 0.000 1.215 11 P CA -0.365 62.741 63.100 0.010 0.000 0.780 11 P CB 0.693 32.408 31.700 0.024 0.000 0.898 12 V N 3.266 123.122 119.914 -0.098 0.000 2.521 12 V HA -0.032 4.088 4.120 -0.000 0.000 0.286 12 V C 1.441 177.488 176.094 -0.078 0.000 1.034 12 V CA 0.455 62.648 62.300 -0.180 0.000 1.045 12 V CB -0.188 31.472 31.823 -0.272 0.000 0.974 12 V HN 0.703 nan 8.190 nan 0.000 0.480 13 N N 1.696 120.361 118.700 -0.059 0.000 2.200 13 N HA 0.102 4.842 4.740 -0.000 0.000 0.224 13 N C 0.189 175.713 175.510 0.022 0.000 1.179 13 N CA -0.220 52.827 53.050 -0.005 0.000 0.877 13 N CB 0.224 38.724 38.487 0.021 0.000 1.072 13 N HN 0.575 nan 8.380 nan 0.000 0.519 14 D N -0.428 120.006 120.400 0.056 0.000 3.070 14 D HA -0.229 4.411 4.640 -0.000 0.000 0.220 14 D C 0.790 177.208 176.300 0.195 0.000 1.176 14 D CA 0.965 55.080 54.000 0.192 0.000 0.924 14 D CB -0.572 40.259 40.800 0.053 0.000 1.124 14 D HN 0.615 nan 8.370 nan 0.000 0.411 15 R N -1.474 119.116 120.500 0.148 0.000 2.789 15 R HA 0.110 4.450 4.340 -0.000 0.000 0.166 15 R C 2.041 178.474 176.300 0.221 0.000 0.957 15 R CA 0.973 57.177 56.100 0.173 0.000 1.084 15 R CB -0.152 30.205 30.300 0.094 0.000 1.312 15 R HN 0.187 nan 8.270 nan 0.000 0.546 16 T N -1.333 113.275 114.554 0.089 0.000 3.023 16 T HA 0.451 4.801 4.350 -0.000 0.000 0.253 16 T C 0.593 175.151 174.700 -0.237 0.000 1.038 16 T CA -0.004 62.039 62.100 -0.094 0.000 0.962 16 T CB 0.351 69.241 68.868 0.038 0.000 1.018 16 T HN -0.041 nan 8.240 nan 0.000 0.521 17 I N 2.328 122.830 120.570 -0.113 0.000 2.534 17 I HA 0.556 4.726 4.170 -0.000 0.000 0.286 17 I C -1.412 174.552 176.117 -0.256 0.000 1.094 17 I CA -1.222 59.883 61.300 -0.324 0.000 1.055 17 I CB 1.977 39.729 38.000 -0.413 0.000 1.225 17 I HN 0.125 nan 8.210 nan 0.000 0.435 18 L N 3.632 124.651 121.223 -0.340 0.000 2.947 18 L HA 0.604 4.944 4.340 -0.000 0.000 0.272 18 L C -1.732 174.801 176.870 -0.561 0.000 1.071 18 L CA -1.060 53.507 54.840 -0.455 0.000 0.987 18 L CB 0.449 42.402 42.059 -0.177 0.000 1.577 18 L HN 0.227 nan 8.230 nan 0.000 0.373 19 Y N 0.506 120.722 120.300 -0.139 0.000 2.361 19 Y HA 0.842 5.392 4.550 -0.000 0.000 0.332 19 Y C -0.108 175.771 175.900 -0.035 0.000 1.101 19 Y CA -0.691 57.368 58.100 -0.067 0.000 1.137 19 Y CB 1.473 39.924 38.460 -0.016 0.000 1.207 19 Y HN 0.366 nan 8.280 nan 0.000 0.463 20 I N 2.955 123.617 120.570 0.154 0.000 2.582 20 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 20 I C -0.598 175.454 176.117 -0.108 0.000 1.066 20 I CA -1.132 60.172 61.300 0.006 0.000 1.053 20 I CB 2.170 40.102 38.000 -0.112 0.000 1.241 20 I HN 0.423 nan 8.210 nan 0.000 0.421 21 K N 7.437 127.590 120.400 -0.411 0.000 2.414 21 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 21 K C -2.682 173.713 176.600 -0.340 0.000 1.037 21 K CA -1.622 54.221 56.287 -0.740 0.000 0.980 21 K CB 1.319 32.752 32.500 -1.778 0.000 1.280 21 K HN 0.170 nan 8.250 nan 0.000 0.451 22 P HA -0.005 nan 4.420 nan 0.000 0.270 22 P C -0.114 177.136 177.300 -0.084 0.000 1.223 22 P CA -0.112 62.947 63.100 -0.067 0.000 0.785 22 P CB 0.579 32.290 31.700 0.019 0.000 0.923 23 G N 0.516 109.283 108.800 -0.056 0.000 2.432 23 G HA2 0.338 4.298 3.960 -0.000 0.000 0.239 23 G HA3 0.338 4.298 3.960 -0.000 0.000 0.239 23 G C 1.012 175.897 174.900 -0.024 0.000 1.291 23 G CA 0.327 45.400 45.100 -0.045 0.000 0.863 23 G HN 0.833 nan 8.290 nan 0.000 0.560 24 G N 0.094 108.879 108.800 -0.025 0.000 2.317 24 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.227 24 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.227 24 G C 0.796 175.693 174.900 -0.005 0.000 1.042 24 G CA 0.496 45.593 45.100 -0.005 0.000 0.623 24 G HN 1.019 nan 8.290 nan 0.000 0.509 25 C N 0.116 119.404 119.300 -0.020 0.000 2.396 25 C HA 0.725 5.185 4.460 -0.000 0.000 0.359 25 C C 1.529 176.451 174.990 -0.114 0.000 1.307 25 C CA 0.472 59.480 59.018 -0.017 0.000 2.392 25 C CB 1.338 29.115 27.740 0.062 0.000 2.245 25 C HN 0.636 nan 8.230 nan 0.000 0.615 26 Q N -0.792 118.924 119.800 -0.141 0.000 2.179 26 Q HA 0.190 4.530 4.340 -0.000 0.000 0.244 26 Q C -0.237 175.618 176.000 -0.242 0.000 0.808 26 Q CA 0.295 56.001 55.803 -0.162 0.000 0.955 26 Q CB 0.588 29.277 28.738 -0.081 0.000 1.141 26 Q HN 0.705 nan 8.270 nan 0.000 0.485 27 E N -0.144 119.826 120.200 -0.382 0.000 2.222 27 E HA 0.410 4.760 4.350 -0.000 0.000 0.267 27 E C -1.128 174.999 176.600 -0.787 0.000 0.963 27 E CA -0.777 55.328 56.400 -0.492 0.000 0.837 27 E CB 1.341 30.701 29.700 -0.567 0.000 1.183 27 E HN -0.022 nan 8.360 nan 0.000 0.403 28 F N 2.002 121.638 119.950 -0.523 0.000 2.334 28 F HA 0.269 4.796 4.527 -0.000 0.000 0.367 28 F C -0.549 175.051 175.800 -0.333 0.000 1.115 28 F CA -0.624 57.152 58.000 -0.373 0.000 1.116 28 F CB 0.356 39.204 39.000 -0.255 0.000 1.230 28 F HN 0.348 nan 8.300 nan 0.000 0.484 29 Y N 2.091 122.465 120.300 0.124 0.000 2.299 29 Y HA 0.245 4.794 4.550 -0.000 0.000 0.326 29 Y C 0.541 176.588 175.900 0.244 0.000 1.164 29 Y CA -1.153 57.046 58.100 0.165 0.000 1.234 29 Y CB 0.667 39.185 38.460 0.097 0.000 1.219 29 Y HN 0.397 nan 8.280 nan 0.000 0.497 30 K N 1.960 122.627 120.400 0.444 0.000 2.451 30 K HA 0.260 4.580 4.320 -0.000 0.000 0.280 30 K C -0.645 175.880 176.600 -0.125 0.000 1.020 30 K CA 0.235 56.569 56.287 0.077 0.000 1.008 30 K CB 0.305 32.765 32.500 -0.067 0.000 0.917 30 K HN 0.788 nan 8.250 nan 0.000 0.478 31 S N 2.512 117.947 115.700 -0.442 0.000 2.709 31 S HA 0.665 5.135 4.470 -0.000 0.000 0.302 31 S C -1.329 172.775 174.600 -0.828 0.000 1.127 31 S CA -0.748 57.265 58.200 -0.313 0.000 0.905 31 S CB 0.831 64.068 63.200 0.062 0.000 1.151 31 S HN 0.465 nan 8.310 nan 0.000 0.510 32 F N 1.177 121.186 119.950 0.099 0.000 2.574 32 F HA 0.413 4.940 4.527 -0.000 0.000 0.313 32 F C -0.047 175.474 175.800 -0.464 0.000 1.130 32 F CA -0.931 56.882 58.000 -0.313 0.000 0.936 32 F CB 1.243 39.989 39.000 -0.424 0.000 1.219 32 F HN 0.392 nan 8.300 nan 0.000 0.445 33 N N 3.574 121.771 118.700 -0.837 0.000 2.663 33 N HA 0.162 4.902 4.740 -0.000 0.000 0.250 33 N C 0.872 176.175 175.510 -0.345 0.000 1.129 33 N CA 0.127 52.474 53.050 -1.171 0.000 0.995 33 N CB 0.317 37.904 38.487 -1.500 0.000 1.324 33 N HN 0.848 nan 8.380 nan 0.000 0.512 34 I N 2.438 122.846 120.570 -0.270 0.000 2.493 34 I HA -0.113 4.057 4.170 -0.000 0.000 0.254 34 I C 0.339 176.342 176.117 -0.191 0.000 1.160 34 I CA 1.007 62.203 61.300 -0.174 0.000 1.445 34 I CB 0.115 37.860 38.000 -0.424 0.000 1.086 34 I HN 0.620 nan 8.210 nan 0.000 0.433 35 M N -1.618 117.845 119.600 -0.229 0.000 2.956 35 M HA 0.284 4.764 4.480 -0.000 0.000 0.272 35 M C -0.469 175.750 176.300 -0.135 0.000 1.132 35 M CA -1.036 54.182 55.300 -0.136 0.000 0.805 35 M CB 0.943 33.508 32.600 -0.058 0.000 1.639 35 M HN -0.319 nan 8.290 nan 0.000 0.520 36 K N 2.088 122.447 120.400 -0.068 0.000 2.401 36 K HA -0.040 4.280 4.320 -0.000 0.000 0.267 36 K C -0.211 176.391 176.600 0.005 0.000 1.140 36 K CA 1.488 57.755 56.287 -0.032 0.000 1.199 36 K CB -0.367 32.128 32.500 -0.008 0.000 0.822 36 K HN 0.783 nan 8.250 nan 0.000 0.488 37 N N 1.936 120.665 118.700 0.048 0.000 2.753 37 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 37 N C -0.942 174.680 175.510 0.187 0.000 1.097 37 N CA 1.497 54.645 53.050 0.163 0.000 0.786 37 N CB -1.247 37.314 38.487 0.123 0.000 1.137 37 N HN 0.535 nan 8.380 nan 0.000 0.566 38 I N -0.124 120.468 120.570 0.038 0.000 2.436 38 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 38 I C -0.537 175.507 176.117 -0.121 0.000 1.010 38 I CA -0.646 60.685 61.300 0.052 0.000 1.098 38 I CB 1.001 39.001 38.000 -0.001 0.000 1.266 38 I HN -0.109 nan 8.210 nan 0.000 0.434 39 W N 6.528 127.829 121.300 0.001 0.000 2.736 39 W HA 0.630 5.290 4.660 -0.000 0.000 0.335 39 W C -0.551 175.992 176.519 0.038 0.000 1.059 39 W CA -0.399 56.951 57.345 0.008 0.000 1.226 39 W CB 1.411 30.874 29.460 0.005 0.000 1.416 39 W HN 0.135 nan 8.180 nan 0.000 0.505 40 I N 4.266 124.997 120.570 0.268 0.000 2.354 40 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 40 I C -0.382 175.974 176.117 0.398 0.000 0.989 40 I CA -0.850 60.616 61.300 0.276 0.000 1.188 40 I CB 1.000 39.108 38.000 0.179 0.000 1.342 40 I HN 0.194 nan 8.210 nan 0.000 0.457 41 I N 8.226 129.007 120.570 0.351 0.000 2.405 41 I HA 0.268 4.438 4.170 -0.000 0.000 0.280 41 I C -2.220 174.067 176.117 0.285 0.000 1.027 41 I CA -1.757 59.723 61.300 0.300 0.000 1.161 41 I CB 1.309 39.400 38.000 0.152 0.000 1.300 41 I HN 0.262 nan 8.210 nan 0.000 0.463 42 P HA 0.076 nan 4.420 nan 0.000 0.235 42 P C -0.747 176.475 177.300 -0.130 0.000 1.720 42 P CA 0.475 63.708 63.100 0.221 0.000 1.003 42 P CB -0.033 31.885 31.700 0.363 0.000 1.968 43 E N 1.092 121.129 120.200 -0.272 0.000 2.356 43 E HA 0.310 4.660 4.350 -0.000 0.000 0.275 43 E C -0.133 176.213 176.600 -0.423 0.000 0.904 43 E CA -0.975 55.177 56.400 -0.412 0.000 0.757 43 E CB 1.587 30.886 29.700 -0.668 0.000 1.232 43 E HN 0.051 nan 8.360 nan 0.000 0.442 44 R N 1.918 122.175 120.500 -0.404 0.000 2.458 44 R HA 0.064 4.404 4.340 -0.000 0.000 0.303 44 R C 0.398 176.576 176.300 -0.202 0.000 1.013 44 R CA -0.176 55.754 56.100 -0.283 0.000 1.026 44 R CB -0.276 29.826 30.300 -0.331 0.000 0.948 44 R HN 0.389 nan 8.270 nan 0.000 0.417 45 N N 3.571 122.234 118.700 -0.062 0.000 2.399 45 N HA -0.060 4.680 4.740 -0.000 0.000 0.284 45 N C 0.960 176.535 175.510 0.109 0.000 1.283 45 N CA 0.102 53.149 53.050 -0.006 0.000 0.972 45 N CB 0.603 39.118 38.487 0.047 0.000 1.328 45 N HN 0.428 nan 8.380 nan 0.000 0.486 46 V N 2.394 122.335 119.914 0.045 0.000 3.623 46 V HA 0.194 4.314 4.120 -0.000 0.000 0.271 46 V C 1.133 177.308 176.094 0.134 0.000 1.248 46 V CA -0.048 62.333 62.300 0.134 0.000 1.156 46 V CB -0.751 31.094 31.823 0.037 0.000 0.870 46 V HN 0.387 nan 8.190 nan 0.000 0.453 47 I N 3.127 123.752 120.570 0.091 0.000 2.741 47 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 47 I C 1.458 177.614 176.117 0.065 0.000 1.192 47 I CA 1.411 62.752 61.300 0.067 0.000 1.426 47 I CB -0.379 37.650 38.000 0.048 0.000 1.367 47 I HN 0.506 nan 8.210 nan 0.000 0.563 48 G N 4.200 113.032 108.800 0.053 0.000 2.359 48 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.298 48 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.298 48 G C 0.028 174.956 174.900 0.046 0.000 1.030 48 G CA 0.370 45.494 45.100 0.040 0.000 1.149 48 G HN 1.095 nan 8.290 nan 0.000 0.512 49 T N -3.093 111.507 114.554 0.078 0.000 2.802 49 T HA 0.742 5.092 4.350 -0.000 0.000 0.311 49 T C -0.507 174.266 174.700 0.121 0.000 1.405 49 T CA -0.034 62.126 62.100 0.099 0.000 1.016 49 T CB 2.304 71.295 68.868 0.206 0.000 1.352 49 T HN 0.613 nan 8.240 nan 0.000 0.498 50 T N 2.998 117.623 114.554 0.117 0.000 2.823 50 T HA 0.493 4.843 4.350 -0.000 0.000 0.279 50 T C -1.918 172.888 174.700 0.177 0.000 0.998 50 T CA -1.528 60.634 62.100 0.104 0.000 0.994 50 T CB 1.531 70.430 68.868 0.052 0.000 0.960 50 T HN 0.372 nan 8.240 nan 0.000 0.448 51 P HA -0.204 nan 4.420 nan 0.000 0.218 51 P C 1.394 178.803 177.300 0.182 0.000 1.152 51 P CA 1.231 64.413 63.100 0.136 0.000 0.857 51 P CB 0.223 31.950 31.700 0.045 0.000 0.787 52 Q N -0.608 119.258 119.800 0.111 0.000 2.050 52 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 52 Q C 1.913 177.955 176.000 0.071 0.000 0.980 52 Q CA 1.466 57.309 55.803 0.068 0.000 0.840 52 Q CB -1.208 27.541 28.738 0.019 0.000 0.898 52 Q HN 0.321 nan 8.270 nan 0.000 0.424 53 D N -0.361 120.073 120.400 0.058 0.000 2.244 53 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 53 D C 0.176 176.411 176.300 -0.108 0.000 1.006 53 D CA 1.055 55.013 54.000 -0.070 0.000 0.888 53 D CB -0.124 40.584 40.800 -0.153 0.000 0.912 53 D HN 0.143 nan 8.370 nan 0.000 0.452 67 Y N 0.567 120.219 120.300 -1.080 0.000 2.401 67 Y HA 0.689 5.239 4.550 -0.000 0.000 0.330 67 Y C -2.137 173.336 175.900 -0.712 0.000 1.071 67 Y CA -1.058 56.577 58.100 -0.776 0.000 1.049 67 Y CB 0.973 38.801 38.460 -1.052 0.000 1.239 67 Y HN 0.840 nan 8.280 nan 0.000 0.437 68 Y N 3.375 123.188 120.300 -0.812 0.000 2.567 68 Y HA 0.584 5.134 4.550 -0.000 0.000 0.333 68 Y C -0.443 174.955 175.900 -0.836 0.000 1.106 68 Y CA -0.829 56.859 58.100 -0.687 0.000 1.157 68 Y CB 1.932 40.178 38.460 -0.357 0.000 1.277 68 Y HN 0.570 nan 8.280 nan 0.000 0.490 69 D N 0.902 121.116 120.400 -0.309 0.000 2.540 69 D HA 0.139 4.779 4.640 -0.000 0.000 0.194 69 D C -2.609 173.687 176.300 -0.007 0.000 1.291 69 D CA -1.195 52.686 54.000 -0.197 0.000 1.158 69 D CB 0.891 41.499 40.800 -0.321 0.000 1.474 69 D HN 0.078 nan 8.370 nan 0.000 0.578 70 P HA -0.067 nan 4.420 nan 0.000 0.220 70 P C 0.787 178.081 177.300 -0.010 0.000 1.144 70 P CA 1.048 64.177 63.100 0.048 0.000 0.800 70 P CB 0.152 31.878 31.700 0.044 0.000 0.772 71 N N -2.511 116.200 118.700 0.018 0.000 2.409 71 N HA -0.111 4.629 4.740 -0.000 0.000 0.179 71 N C 0.437 175.967 175.510 0.034 0.000 1.032 71 N CA -0.209 52.850 53.050 0.015 0.000 0.898 71 N CB -0.264 38.246 38.487 0.037 0.000 0.971 71 N HN 0.141 nan 8.380 nan 0.000 0.441 72 Y N 2.049 122.314 120.300 -0.057 0.000 2.632 72 Y HA -0.023 4.527 4.550 -0.000 0.000 0.329 72 Y C 0.607 176.437 175.900 -0.117 0.000 1.174 72 Y CA -0.067 57.998 58.100 -0.058 0.000 1.469 72 Y CB -0.034 38.406 38.460 -0.034 0.000 1.242 72 Y HN 0.040 nan 8.280 nan 0.000 0.540 73 L N 5.593 126.371 121.223 -0.742 0.000 3.533 73 L HA -0.340 4.000 4.340 -0.000 0.000 0.477 73 L C 0.354 176.977 176.870 -0.412 0.000 1.306 73 L CA 0.387 54.790 54.840 -0.727 0.000 0.850 73 L CB -0.667 40.774 42.059 -1.030 0.000 1.654 73 L HN 0.754 nan 8.230 nan 0.000 0.863 74 Q N -1.404 118.236 119.800 -0.267 0.000 2.477 74 Q HA 0.215 4.555 4.340 -0.000 0.000 0.252 74 Q C 1.077 176.986 176.000 -0.150 0.000 0.869 74 Q CA 0.870 56.563 55.803 -0.183 0.000 0.969 74 Q CB 0.655 29.317 28.738 -0.127 0.000 1.144 74 Q HN 0.516 nan 8.270 nan 0.000 0.577 75 S N 1.215 116.830 115.700 -0.141 0.000 2.576 75 S HA 0.028 4.498 4.470 -0.000 0.000 0.276 75 S C 0.489 174.989 174.600 -0.166 0.000 1.339 75 S CA -0.249 57.886 58.200 -0.109 0.000 1.039 75 S CB 0.800 63.958 63.200 -0.070 0.000 0.902 75 S HN 0.009 nan 8.310 nan 0.000 0.516 76 D N 1.878 122.205 120.400 -0.121 0.000 2.144 76 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 76 D C 1.741 177.954 176.300 -0.145 0.000 0.978 76 D CA 1.062 54.960 54.000 -0.169 0.000 0.833 76 D CB -0.020 40.790 40.800 0.017 0.000 0.961 76 D HN 0.711 nan 8.370 nan 0.000 0.470 77 E N 0.752 120.913 120.200 -0.064 0.000 2.208 77 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 77 E C 1.591 178.160 176.600 -0.050 0.000 0.988 77 E CA 0.907 57.290 56.400 -0.028 0.000 0.828 77 E CB 0.020 29.719 29.700 -0.001 0.000 0.763 77 E HN 0.332 nan 8.360 nan 0.000 0.478 78 E N -0.002 120.143 120.200 -0.091 0.000 2.107 78 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 78 E C 1.940 178.458 176.600 -0.137 0.000 0.982 78 E CA 0.900 57.242 56.400 -0.097 0.000 0.809 78 E CB 0.017 29.628 29.700 -0.148 0.000 0.756 78 E HN 0.197 nan 8.360 nan 0.000 0.459 79 K N 0.733 120.981 120.400 -0.255 0.000 2.062 79 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 79 K C 1.881 178.417 176.600 -0.107 0.000 1.051 79 K CA 1.400 57.506 56.287 -0.301 0.000 0.941 79 K CB -0.084 31.955 32.500 -0.769 0.000 0.719 79 K HN 0.002 nan 8.250 nan 0.000 0.440 80 D N 0.769 121.111 120.400 -0.097 0.000 2.218 80 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 80 D C 1.962 178.285 176.300 0.039 0.000 0.976 80 D CA 0.962 54.989 54.000 0.044 0.000 0.853 80 D CB 0.205 41.051 40.800 0.077 0.000 0.939 80 D HN 0.063 nan 8.370 nan 0.000 0.481 81 R N -0.994 119.531 120.500 0.040 0.000 2.057 81 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 81 R C 2.137 178.496 176.300 0.099 0.000 1.136 81 R CA 1.028 57.163 56.100 0.058 0.000 0.952 81 R CB -0.617 29.720 30.300 0.062 0.000 0.848 81 R HN 0.232 nan 8.270 nan 0.000 0.430 82 F N 1.745 121.673 119.950 -0.037 0.000 2.043 82 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 82 F C 2.039 177.842 175.800 0.004 0.000 1.118 82 F CA 1.882 59.872 58.000 -0.017 0.000 1.202 82 F CB -0.802 38.169 39.000 -0.048 0.000 0.965 82 F HN 0.130 nan 8.300 nan 0.000 0.482 83 L N 0.919 122.183 121.223 0.069 0.000 2.021 83 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 83 L C 2.274 179.078 176.870 -0.111 0.000 1.074 83 L CA 2.124 56.916 54.840 -0.080 0.000 0.760 83 L CB -1.040 40.958 42.059 -0.102 0.000 0.889 83 L HN 0.060 nan 8.230 nan 0.000 0.433 84 K N -0.343 120.023 120.400 -0.056 0.000 2.057 84 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 84 K C 2.003 178.576 176.600 -0.045 0.000 1.049 84 K CA 1.879 58.142 56.287 -0.041 0.000 0.931 84 K CB -0.416 32.077 32.500 -0.013 0.000 0.714 84 K HN 0.410 nan 8.250 nan 0.000 0.440 85 I N -0.218 120.310 120.570 -0.069 0.000 2.113 85 I HA -0.294 3.876 4.170 -0.000 0.000 0.238 85 I C 1.950 178.034 176.117 -0.055 0.000 1.070 85 I CA 1.096 62.349 61.300 -0.078 0.000 1.332 85 I CB -0.371 37.562 38.000 -0.113 0.000 1.044 85 I HN -0.089 nan 8.210 nan 0.000 0.402 86 V N 0.682 120.514 119.914 -0.137 0.000 2.252 86 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 86 V C 2.519 178.694 176.094 0.134 0.000 1.056 86 V CA 2.664 64.981 62.300 0.028 0.000 1.022 86 V CB -1.260 30.474 31.823 -0.148 0.000 0.641 86 V HN 0.490 nan 8.190 nan 0.000 0.445 87 T N -0.542 114.016 114.554 0.007 0.000 2.685 87 T HA -0.321 4.029 4.350 -0.000 0.000 0.268 87 T C 1.935 176.686 174.700 0.085 0.000 1.034 87 T CA 2.153 64.263 62.100 0.016 0.000 1.149 87 T CB -0.271 68.573 68.868 -0.040 0.000 0.860 87 T HN 0.512 nan 8.240 nan 0.000 0.449 88 K N 0.507 120.947 120.400 0.068 0.000 2.057 88 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 88 K C 2.262 178.937 176.600 0.125 0.000 1.050 88 K CA 0.975 57.312 56.287 0.083 0.000 0.935 88 K CB -0.215 32.329 32.500 0.073 0.000 0.715 88 K HN 0.318 nan 8.250 nan 0.000 0.439 89 I N 0.320 120.978 120.570 0.147 0.000 2.226 89 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 89 I C 1.934 178.086 176.117 0.058 0.000 1.100 89 I CA 1.115 62.487 61.300 0.119 0.000 1.374 89 I CB -0.280 37.800 38.000 0.133 0.000 1.057 89 I HN 0.101 nan 8.210 nan 0.000 0.413 90 F N 1.337 121.277 119.950 -0.017 0.000 2.075 90 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 90 F C 2.482 178.278 175.800 -0.007 0.000 1.113 90 F CA 1.598 59.580 58.000 -0.030 0.000 1.218 90 F CB -0.721 38.258 39.000 -0.035 0.000 0.984 90 F HN 0.097 nan 8.300 nan 0.000 0.472 91 N N 0.119 118.933 118.700 0.189 0.000 2.192 91 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 91 N C 2.040 177.600 175.510 0.082 0.000 1.013 91 N CA 1.110 54.222 53.050 0.104 0.000 0.863 91 N CB -0.309 38.217 38.487 0.065 0.000 0.990 91 N HN 0.297 nan 8.380 nan 0.000 0.430 92 R N 0.676 121.222 120.500 0.077 0.000 2.062 92 R HA 0.081 4.421 4.340 -0.000 0.000 0.229 92 R C 2.277 178.673 176.300 0.161 0.000 1.128 92 R CA 0.748 56.898 56.100 0.082 0.000 0.960 92 R CB -0.119 30.204 30.300 0.039 0.000 0.855 92 R HN 0.130 nan 8.270 nan 0.000 0.432 93 I N 1.161 121.765 120.570 0.058 0.000 2.252 93 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 93 I C 2.139 178.365 176.117 0.182 0.000 1.102 93 I CA 1.362 62.734 61.300 0.120 0.000 1.385 93 I CB -0.530 37.361 38.000 -0.181 0.000 1.064 93 I HN 0.331 nan 8.210 nan 0.000 0.414 94 N N 1.737 120.492 118.700 0.091 0.000 2.058 94 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 94 N C 1.399 176.943 175.510 0.057 0.000 1.037 94 N CA 1.826 54.921 53.050 0.075 0.000 0.848 94 N CB -0.422 38.114 38.487 0.081 0.000 1.021 94 N HN 0.281 nan 8.380 nan 0.000 0.422 95 N N -0.131 118.604 118.700 0.057 0.000 2.586 95 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 95 N C -0.230 175.271 175.510 -0.016 0.000 1.085 95 N CA 0.112 53.176 53.050 0.023 0.000 0.921 95 N CB -0.284 38.218 38.487 0.025 0.000 0.954 95 N HN 0.361 nan 8.380 nan 0.000 0.448 96 N N 1.110 119.794 118.700 -0.025 0.000 2.430 96 N HA 0.101 4.841 4.740 -0.000 0.000 0.292 96 N C 0.931 176.352 175.510 -0.148 0.000 1.051 96 N CA -0.275 52.653 53.050 -0.204 0.000 0.917 96 N CB 1.599 39.709 38.487 -0.628 0.000 1.164 96 N HN -0.044 nan 8.380 nan 0.000 0.484 97 L N 2.155 123.287 121.223 -0.152 0.000 1.971 97 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 97 L C 2.280 179.120 176.870 -0.051 0.000 1.072 97 L CA 1.383 56.173 54.840 -0.084 0.000 0.758 97 L CB -0.608 41.402 42.059 -0.080 0.000 0.889 97 L HN 0.539 nan 8.230 nan 0.000 0.433 98 S N -0.163 115.485 115.700 -0.087 0.000 2.399 98 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 98 S C 1.956 176.612 174.600 0.093 0.000 1.022 98 S CA 1.076 59.289 58.200 0.021 0.000 0.983 98 S CB -0.505 62.696 63.200 0.002 0.000 0.803 98 S HN 0.632 nan 8.310 nan 0.000 0.480 99 G N 1.351 110.180 108.800 0.048 0.000 2.394 99 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.214 99 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.214 99 G C 1.445 176.382 174.900 0.062 0.000 1.176 99 G CA 0.733 45.939 45.100 0.177 0.000 0.786 99 G HN 0.549 nan 8.290 nan 0.000 0.533 100 G N 0.730 109.555 108.800 0.042 0.000 2.448 100 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.219 100 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.219 100 G C 1.710 176.626 174.900 0.025 0.000 1.127 100 G CA 0.620 45.737 45.100 0.028 0.000 0.766 100 G HN 0.452 nan 8.290 nan 0.000 0.552 101 I N -0.102 120.497 120.570 0.049 0.000 2.353 101 I HA -0.036 4.134 4.170 -0.000 0.000 0.248 101 I C 2.454 178.602 176.117 0.051 0.000 1.119 101 I CA 0.300 61.654 61.300 0.091 0.000 1.417 101 I CB -0.072 38.024 38.000 0.161 0.000 1.078 101 I HN 0.174 nan 8.210 nan 0.000 0.421 102 L N 0.844 122.015 121.223 -0.086 0.000 2.131 102 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 102 L C 2.156 178.846 176.870 -0.300 0.000 1.092 102 L CA 1.841 56.361 54.840 -0.535 0.000 0.759 102 L CB -0.492 41.187 42.059 -0.634 0.000 0.903 102 L HN 0.139 nan 8.230 nan 0.000 0.435 103 L N -0.829 120.313 121.223 -0.134 0.000 2.044 103 L HA -0.139 4.200 4.340 -0.000 0.000 0.205 103 L C 2.559 179.423 176.870 -0.011 0.000 1.075 103 L CA 1.297 56.105 54.840 -0.053 0.000 0.747 103 L CB -0.673 41.392 42.059 0.009 0.000 0.903 103 L HN 0.269 nan 8.230 nan 0.000 0.435 104 E N 0.620 120.823 120.200 0.005 0.000 2.065 104 E HA -0.266 4.084 4.350 -0.000 0.000 0.201 104 E C 2.063 178.685 176.600 0.037 0.000 1.016 104 E CA 1.584 58.000 56.400 0.026 0.000 0.818 104 E CB 0.006 29.728 29.700 0.038 0.000 0.749 104 E HN 0.264 nan 8.360 nan 0.000 0.453 105 E N 0.204 120.427 120.200 0.039 0.000 2.070 105 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 105 E C 2.369 179.023 176.600 0.091 0.000 1.004 105 E CA 1.250 57.702 56.400 0.086 0.000 0.805 105 E CB -0.511 29.241 29.700 0.086 0.000 0.744 105 E HN 0.383 nan 8.360 nan 0.000 0.451 106 L N 1.292 122.534 121.223 0.033 0.000 2.042 106 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 106 L C 2.585 179.486 176.870 0.053 0.000 1.076 106 L CA 1.620 56.488 54.840 0.047 0.000 0.749 106 L CB -0.624 41.447 42.059 0.020 0.000 0.893 106 L HN 0.144 nan 8.230 nan 0.000 0.432 107 S N -0.782 114.944 115.700 0.044 0.000 2.500 107 S HA -0.151 4.319 4.470 -0.000 0.000 0.239 107 S C 1.505 176.117 174.600 0.020 0.000 0.989 107 S CA 0.904 59.126 58.200 0.037 0.000 0.951 107 S CB -0.191 63.026 63.200 0.028 0.000 0.759 107 S HN 0.459 nan 8.310 nan 0.000 0.523 108 K N 0.133 120.545 120.400 0.020 0.000 2.447 108 K HA 0.413 4.733 4.320 -0.000 0.000 0.205 108 K C 0.677 177.247 176.600 -0.051 0.000 1.059 108 K CA 0.398 56.679 56.287 -0.010 0.000 1.065 108 K CB 0.735 33.240 32.500 0.009 0.000 0.885 108 K HN 0.329 nan 8.250 nan 0.000 0.545 109 A N 1.544 124.336 122.820 -0.046 0.000 2.503 109 A HA 0.083 4.403 4.320 -0.000 0.000 0.263 109 A C -0.415 177.079 177.584 -0.150 0.000 1.360 109 A CA -0.407 51.505 52.037 -0.207 0.000 0.969 109 A CB -0.704 18.258 19.000 -0.063 0.000 1.000 109 A HN 0.212 nan 8.150 nan 0.000 0.530 110 N N 1.886 120.555 118.700 -0.051 0.000 2.217 110 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 110 N C -2.860 172.780 175.510 0.216 0.000 1.290 110 N CA -0.240 52.856 53.050 0.077 0.000 0.831 110 N CB -0.167 38.357 38.487 0.063 0.000 1.057 110 N HN 0.209 nan 8.380 nan 0.000 0.481 111 P HA -0.036 nan 4.420 nan 0.000 0.268 111 P C -0.495 177.013 177.300 0.347 0.000 1.204 111 P CA -0.062 63.187 63.100 0.248 0.000 0.768 111 P CB 0.211 32.007 31.700 0.160 0.000 0.842 112 Y N 3.525 123.929 120.300 0.174 0.000 2.597 112 Y HA 0.037 4.587 4.550 0.000 0.000 0.336 112 Y C 0.478 176.265 175.900 -0.188 0.000 1.216 112 Y CA 0.202 58.135 58.100 -0.278 0.000 1.463 112 Y CB 0.123 38.504 38.460 -0.132 0.000 1.303 112 Y HN 0.208 nan 8.280 nan 0.000 0.576 113 L N 7.224 127.780 121.223 -1.112 0.000 2.391 113 L HA 0.379 4.719 4.340 -0.000 0.000 0.249 113 L C 0.585 177.202 176.870 -0.421 0.000 1.308 113 L CA 0.258 54.722 54.840 -0.628 0.000 1.209 113 L CB -1.314 40.320 42.059 -0.709 0.000 1.401 113 L HN 0.906 nan 8.230 nan 0.000 0.416 114 G N 1.392 110.105 108.800 -0.146 0.000 2.350 114 G HA2 0.208 4.168 3.960 -0.000 0.000 0.304 114 G HA3 0.208 4.168 3.960 -0.000 0.000 0.304 114 G C -1.706 172.976 174.900 -0.364 0.000 1.421 114 G CA -0.606 44.480 45.100 -0.023 0.000 0.934 114 G HN 0.523 nan 8.290 nan 0.000 0.632 115 N N -1.844 116.473 118.700 -0.638 0.000 3.449 115 N HA 0.415 5.155 4.740 -0.000 0.000 0.312 115 N C 0.173 175.263 175.510 -0.700 0.000 1.582 115 N CA -0.227 52.005 53.050 -1.364 0.000 0.850 115 N CB 0.386 38.638 38.487 -0.392 0.000 1.822 115 N HN 0.245 nan 8.380 nan 0.000 0.577 116 D N -0.686 119.514 120.400 -0.332 0.000 2.221 116 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 116 D C 0.034 176.166 176.300 -0.281 0.000 0.982 116 D CA 1.400 55.295 54.000 -0.174 0.000 0.857 116 D CB -0.435 40.251 40.800 -0.191 0.000 0.934 116 D HN 0.567 nan 8.370 nan 0.000 0.475 117 N N -0.248 118.221 118.700 -0.385 0.000 2.268 117 N HA 0.005 4.745 4.740 -0.000 0.000 0.204 117 N C -0.079 175.266 175.510 -0.274 0.000 1.124 117 N CA -0.005 52.855 53.050 -0.316 0.000 0.838 117 N CB 0.721 38.996 38.487 -0.354 0.000 0.994 117 N HN 0.072 nan 8.380 nan 0.000 0.489 118 T N -2.097 112.291 114.554 -0.276 0.000 2.912 118 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 118 T C -2.879 171.723 174.700 -0.163 0.000 1.030 118 T CA -2.340 59.588 62.100 -0.286 0.000 1.020 118 T CB 1.988 70.627 68.868 -0.381 0.000 1.056 118 T HN -0.276 nan 8.240 nan 0.000 0.480 119 P HA 0.222 nan 4.420 nan 0.000 0.267 119 P C 0.097 177.373 177.300 -0.040 0.000 1.200 119 P CA -0.206 62.851 63.100 -0.072 0.000 0.772 119 P CB 0.456 32.121 31.700 -0.058 0.000 0.855 120 D N 1.124 121.509 120.400 -0.025 0.000 2.213 120 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 120 D C 1.269 177.554 176.300 -0.025 0.000 0.961 120 D CA 1.145 55.144 54.000 -0.002 0.000 0.853 120 D CB -0.619 40.182 40.800 0.002 0.000 0.967 120 D HN 0.510 nan 8.370 nan 0.000 0.496 121 N N 0.833 119.510 118.700 -0.037 0.000 2.573 121 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 121 N C -0.127 175.327 175.510 -0.094 0.000 1.107 121 N CA 0.644 53.661 53.050 -0.056 0.000 0.918 121 N CB -0.146 38.318 38.487 -0.037 0.000 0.966 121 N HN 0.175 nan 8.380 nan 0.000 0.448 122 Q N -1.776 117.970 119.800 -0.089 0.000 2.377 122 Q HA 0.459 4.799 4.340 -0.000 0.000 0.279 122 Q C -1.385 174.582 176.000 -0.055 0.000 1.049 122 Q CA -0.915 54.824 55.803 -0.106 0.000 0.825 122 Q CB 0.437 29.159 28.738 -0.026 0.000 1.401 122 Q HN -0.070 nan 8.270 nan 0.000 0.404 123 F N 1.474 121.405 119.950 -0.032 0.000 2.518 123 F HA 0.341 4.868 4.527 -0.000 0.000 0.359 123 F C 0.343 176.108 175.800 -0.059 0.000 1.118 123 F CA 0.291 58.226 58.000 -0.108 0.000 1.287 123 F CB 0.548 39.449 39.000 -0.166 0.000 1.132 123 F HN 0.756 nan 8.300 nan 0.000 0.587 124 H N 3.090 122.178 119.070 0.031 0.000 2.538 124 H HA 0.634 5.190 4.556 -0.000 0.000 0.353 124 H C -1.194 174.082 175.328 -0.087 0.000 1.109 124 H CA -0.696 55.331 56.048 -0.036 0.000 1.192 124 H CB 0.963 30.694 29.762 -0.051 0.000 1.555 124 H HN 0.496 nan 8.280 nan 0.000 0.518 125 I N 5.138 125.264 120.570 -0.740 0.000 2.406 125 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 125 I C 0.494 176.208 176.117 -0.671 0.000 0.999 125 I CA -0.322 60.649 61.300 -0.548 0.000 1.124 125 I CB 1.668 39.487 38.000 -0.303 0.000 1.289 125 I HN 0.774 nan 8.210 nan 0.000 0.441 126 G N 3.506 112.077 108.800 -0.382 0.000 3.021 126 G HA2 0.208 4.168 3.960 -0.000 0.000 0.290 126 G HA3 0.208 4.168 3.960 -0.000 0.000 0.290 126 G C -0.144 174.716 174.900 -0.066 0.000 1.291 126 G CA -0.229 44.773 45.100 -0.163 0.000 0.834 126 G HN 0.468 nan 8.290 nan 0.000 0.564 127 D N 0.178 120.574 120.400 -0.006 0.000 2.371 127 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 127 D C 2.201 178.506 176.300 0.009 0.000 0.986 127 D CA 0.946 54.944 54.000 -0.004 0.000 0.899 127 D CB 0.365 41.172 40.800 0.011 0.000 0.902 127 D HN 0.334 nan 8.370 nan 0.000 0.530 128 A N 0.564 123.399 122.820 0.025 0.000 2.081 128 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 128 A C 2.136 179.740 177.584 0.033 0.000 1.158 128 A CA 0.995 53.057 52.037 0.041 0.000 0.724 128 A CB 0.144 19.186 19.000 0.069 0.000 0.826 128 A HN 0.225 nan 8.150 nan 0.000 0.463 129 S N -2.273 113.427 115.700 -0.000 0.000 2.559 129 S HA 0.677 5.147 4.470 -0.000 0.000 0.226 129 S C 0.425 175.007 174.600 -0.029 0.000 1.030 129 S CA 0.429 58.625 58.200 -0.006 0.000 0.956 129 S CB 0.187 63.364 63.200 -0.039 0.000 0.900 129 S HN 1.142 nan 8.310 nan 0.000 0.510 130 A N 1.144 123.935 122.820 -0.049 0.000 2.572 130 A HA 0.786 5.106 4.320 -0.000 0.000 0.295 130 A C -0.838 176.701 177.584 -0.074 0.000 1.072 130 A CA -0.551 51.445 52.037 -0.067 0.000 0.691 130 A CB 1.568 20.518 19.000 -0.084 0.000 1.291 130 A HN 1.043 nan 8.150 nan 0.000 0.404 131 V N -1.126 118.728 119.914 -0.100 0.000 2.823 131 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 131 V C -0.354 175.669 176.094 -0.119 0.000 1.072 131 V CA -0.841 61.392 62.300 -0.113 0.000 0.937 131 V CB 1.481 33.223 31.823 -0.135 0.000 1.013 131 V HN 0.926 nan 8.190 nan 0.000 0.430 132 E N 3.034 123.177 120.200 -0.095 0.000 2.383 132 E HA 0.596 4.946 4.350 -0.000 0.000 0.264 132 E C -0.364 176.269 176.600 0.055 0.000 1.050 132 E CA -0.026 56.368 56.400 -0.009 0.000 0.896 132 E CB 1.466 31.208 29.700 0.070 0.000 0.982 132 E HN 0.797 nan 8.360 nan 0.000 0.424 133 I N -2.172 118.437 120.570 0.066 0.000 3.279 133 I HA 0.580 4.750 4.170 -0.000 0.000 0.315 133 I C -1.163 174.819 176.117 -0.224 0.000 1.187 133 I CA -1.205 60.089 61.300 -0.010 0.000 0.953 133 I CB 2.193 40.013 38.000 -0.300 0.000 1.279 133 I HN 0.175 nan 8.210 nan 0.000 0.465 134 K N 1.666 121.896 120.400 -0.283 0.000 2.468 134 K HA 0.561 4.881 4.320 -0.000 0.000 0.252 134 K C -1.619 174.836 176.600 -0.240 0.000 0.932 134 K CA -0.559 55.502 56.287 -0.377 0.000 0.794 134 K CB 2.312 34.565 32.500 -0.412 0.000 1.241 134 K HN 0.362 nan 8.250 nan 0.000 0.428 135 F N 0.286 120.236 119.950 -0.002 0.000 2.348 135 F HA 0.050 4.577 4.527 -0.000 0.000 0.308 135 F C 2.179 178.014 175.800 0.059 0.000 1.175 135 F CA -0.179 57.821 58.000 0.000 0.000 1.080 135 F CB 0.537 39.523 39.000 -0.024 0.000 1.341 135 F HN 0.636 nan 8.300 nan 0.000 0.518 136 S N 0.226 116.078 115.700 0.252 0.000 2.400 136 S HA -0.245 4.225 4.470 -0.000 0.000 0.232 136 S C 1.070 175.753 174.600 0.140 0.000 1.025 136 S CA 1.441 59.745 58.200 0.173 0.000 0.993 136 S CB -0.988 62.262 63.200 0.083 0.000 0.808 136 S HN 0.729 nan 8.310 nan 0.000 0.478 137 N N 1.150 119.923 118.700 0.121 0.000 2.362 137 N HA 0.298 5.038 4.740 -0.000 0.000 0.204 137 N C 1.149 176.684 175.510 0.042 0.000 1.166 137 N CA 0.447 53.536 53.050 0.065 0.000 0.831 137 N CB -0.554 37.959 38.487 0.043 0.000 1.008 137 N HN 0.581 nan 8.380 nan 0.000 0.472 138 G N -0.435 108.389 108.800 0.040 0.000 2.189 138 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.267 138 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.267 138 G C 0.131 174.981 174.900 -0.082 0.000 0.975 138 G CA 0.648 45.712 45.100 -0.060 0.000 0.644 138 G HN 0.827 nan 8.290 nan 0.000 0.537 139 S N -0.634 115.076 115.700 0.017 0.000 2.592 139 S HA 0.651 5.121 4.470 -0.000 0.000 0.271 139 S C -0.026 174.528 174.600 -0.076 0.000 1.326 139 S CA -0.358 57.854 58.200 0.020 0.000 1.024 139 S CB 1.965 65.251 63.200 0.143 0.000 0.921 139 S HN 0.490 nan 8.310 nan 0.000 0.527 140 Q N 0.831 120.562 119.800 -0.114 0.000 2.245 140 Q HA 0.524 4.864 4.340 -0.000 0.000 0.256 140 Q C -0.692 175.233 176.000 -0.126 0.000 0.942 140 Q CA -0.557 55.128 55.803 -0.197 0.000 0.896 140 Q CB 1.453 30.080 28.738 -0.184 0.000 1.272 140 Q HN 0.787 nan 8.270 nan 0.000 0.442 141 D N 0.541 120.817 120.400 -0.207 0.000 3.455 141 D HA 0.538 5.178 4.640 -0.000 0.000 0.320 141 D C -1.362 174.863 176.300 -0.125 0.000 1.401 141 D CA -0.394 53.531 54.000 -0.125 0.000 0.982 141 D CB 1.321 42.050 40.800 -0.118 0.000 1.397 141 D HN 0.539 nan 8.370 nan 0.000 0.607 142 I N -1.102 119.405 120.570 -0.105 0.000 3.006 142 I HA 0.693 4.863 4.170 -0.000 0.000 0.306 142 I C -1.881 174.170 176.117 -0.110 0.000 1.250 142 I CA -0.990 60.249 61.300 -0.102 0.000 0.996 142 I CB 2.638 40.597 38.000 -0.068 0.000 1.261 142 I HN 0.281 nan 8.210 nan 0.000 0.442 143 L N 4.057 125.195 121.223 -0.142 0.000 2.401 143 L HA 0.669 5.009 4.340 -0.000 0.000 0.266 143 L C -1.854 174.953 176.870 -0.106 0.000 0.991 143 L CA -0.425 54.323 54.840 -0.153 0.000 0.818 143 L CB 2.031 43.884 42.059 -0.342 0.000 1.321 143 L HN 0.628 nan 8.230 nan 0.000 0.413 144 L N 6.660 127.863 121.223 -0.032 0.000 2.387 144 L HA 0.591 4.931 4.340 -0.000 0.000 0.259 144 L C -2.158 174.746 176.870 0.057 0.000 1.050 144 L CA -0.979 53.866 54.840 0.007 0.000 0.922 144 L CB 0.598 42.684 42.059 0.045 0.000 1.280 144 L HN 0.525 nan 8.230 nan 0.000 0.449 145 P HA 0.455 nan 4.420 nan 0.000 0.289 145 P C -0.454 176.918 177.300 0.119 0.000 1.300 145 P CA -0.474 62.706 63.100 0.133 0.000 0.828 145 P CB 2.002 33.768 31.700 0.110 0.000 1.235 146 N N -1.544 117.243 118.700 0.146 0.000 2.460 146 N HA 0.144 4.883 4.740 -0.000 0.000 0.193 146 N C -0.331 175.250 175.510 0.119 0.000 1.080 146 N CA 0.574 53.692 53.050 0.113 0.000 0.869 146 N CB 0.489 39.033 38.487 0.096 0.000 1.201 146 N HN 0.126 nan 8.380 nan 0.000 0.457 147 V N 1.844 121.850 119.914 0.152 0.000 2.686 147 V HA 0.483 4.603 4.120 -0.000 0.000 0.306 147 V C -0.802 175.406 176.094 0.190 0.000 1.065 147 V CA -0.666 61.725 62.300 0.152 0.000 0.894 147 V CB 2.756 34.667 31.823 0.146 0.000 1.004 147 V HN -0.062 nan 8.190 nan 0.000 0.424 148 I N 5.324 125.993 120.570 0.165 0.000 2.418 148 I HA 0.472 4.642 4.170 -0.000 0.000 0.287 148 I C -0.859 175.367 176.117 0.181 0.000 1.008 148 I CA -0.583 60.828 61.300 0.185 0.000 1.104 148 I CB 1.868 39.950 38.000 0.136 0.000 1.264 148 I HN 0.342 nan 8.210 nan 0.000 0.438 149 I N 6.885 127.582 120.570 0.212 0.000 2.321 149 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 149 I C 0.056 176.347 176.117 0.289 0.000 0.998 149 I CA -0.149 61.300 61.300 0.248 0.000 1.227 149 I CB 1.203 39.360 38.000 0.262 0.000 1.368 149 I HN 0.556 nan 8.210 nan 0.000 0.466 150 M N 3.286 123.057 119.600 0.285 0.000 2.761 150 M HA 0.543 5.023 4.480 -0.000 0.000 0.305 150 M C 0.673 177.148 176.300 0.291 0.000 1.235 150 M CA -0.617 54.826 55.300 0.238 0.000 0.850 150 M CB 2.372 35.030 32.600 0.097 0.000 1.744 150 M HN 0.646 nan 8.290 nan 0.000 0.480 151 G N 0.234 109.049 108.800 0.025 0.000 2.653 151 G HA2 0.527 4.487 3.960 -0.000 0.000 0.265 151 G HA3 0.527 4.487 3.960 -0.000 0.000 0.265 151 G C -0.426 174.469 174.900 -0.009 0.000 1.237 151 G CA -0.543 44.425 45.100 -0.220 0.000 0.946 151 G HN 0.856 nan 8.290 nan 0.000 0.522 152 A N -0.594 122.243 122.820 0.028 0.000 2.483 152 A HA 0.441 4.761 4.320 -0.000 0.000 0.238 152 A C 0.825 178.480 177.584 0.117 0.000 1.070 152 A CA 0.393 52.497 52.037 0.111 0.000 0.770 152 A CB -0.035 19.076 19.000 0.184 0.000 1.008 152 A HN 0.813 nan 8.150 nan 0.000 0.497 153 E N 2.496 122.741 120.200 0.075 0.000 3.099 153 E HA 0.346 4.696 4.350 -0.000 0.000 0.259 153 E C -2.006 174.541 176.600 -0.088 0.000 1.274 153 E CA -1.377 55.077 56.400 0.089 0.000 1.111 153 E CB -0.421 29.255 29.700 -0.039 0.000 1.327 153 E HN 0.312 nan 8.360 nan 0.000 0.652 154 P HA -0.218 nan 4.420 nan 0.000 0.214 154 P C 0.028 176.874 177.300 -0.757 0.000 1.172 154 P CA 1.847 64.413 63.100 -0.890 0.000 0.925 154 P CB -0.177 31.051 31.700 -0.787 0.000 0.793 155 D N -0.363 119.540 120.400 -0.828 0.000 2.346 155 D HA -0.014 4.626 4.640 -0.000 0.000 0.260 155 D C 0.866 176.758 176.300 -0.680 0.000 1.252 155 D CA 0.028 53.414 54.000 -1.023 0.000 0.895 155 D CB 0.251 40.639 40.800 -0.685 0.000 1.097 155 D HN -0.183 nan 8.370 nan 0.000 0.489 156 L N 4.290 125.033 121.223 -0.801 0.000 2.456 156 L HA -0.085 4.255 4.340 -0.000 0.000 0.224 156 L C 1.701 178.266 176.870 -0.509 0.000 1.148 156 L CA 0.766 55.238 54.840 -0.613 0.000 0.825 156 L CB -0.503 41.090 42.059 -0.776 0.000 0.937 156 L HN 0.438 nan 8.230 nan 0.000 0.450 157 F N -1.027 118.570 119.950 -0.588 0.000 2.416 157 F HA 0.061 4.588 4.527 -0.000 0.000 0.296 157 F C 1.527 177.032 175.800 -0.491 0.000 1.099 157 F CA -0.416 57.194 58.000 -0.651 0.000 1.427 157 F CB -0.564 37.846 39.000 -0.982 0.000 1.079 157 F HN -0.063 nan 8.300 nan 0.000 0.536 158 E N 0.895 120.984 120.200 -0.185 0.000 2.414 158 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 158 E C -0.241 176.379 176.600 0.034 0.000 1.000 158 E CA 0.575 56.921 56.400 -0.089 0.000 0.914 158 E CB 0.580 30.214 29.700 -0.109 0.000 0.948 158 E HN -0.066 nan 8.360 nan 0.000 0.444 159 T N 4.249 118.863 114.554 0.101 0.000 3.186 159 T HA 0.354 4.704 4.350 -0.000 0.000 0.320 159 T C -0.762 174.024 174.700 0.145 0.000 0.955 159 T CA -0.939 61.283 62.100 0.204 0.000 1.030 159 T CB 0.347 69.411 68.868 0.327 0.000 1.013 159 T HN 0.544 nan 8.240 nan 0.000 0.454 160 N N 1.289 120.061 118.700 0.121 0.000 3.439 160 N HA 0.814 5.554 4.740 -0.000 0.000 0.313 160 N C -1.144 174.410 175.510 0.074 0.000 1.598 160 N CA -0.815 52.276 53.050 0.069 0.000 0.830 160 N CB 1.042 39.540 38.487 0.019 0.000 1.849 160 N HN 0.543 nan 8.380 nan 0.000 0.598 161 S N -2.092 113.629 115.700 0.035 0.000 2.636 161 S HA 0.883 5.353 4.470 -0.000 0.000 0.268 161 S C -1.458 173.149 174.600 0.011 0.000 1.159 161 S CA -0.156 58.071 58.200 0.044 0.000 0.815 161 S CB 0.886 64.128 63.200 0.070 0.000 1.130 161 S HN 1.752 nan 8.310 nan 0.000 0.471 162 S N 0.292 116.011 115.700 0.031 0.000 2.611 162 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 162 S C -2.032 172.593 174.600 0.042 0.000 1.131 162 S CA -1.092 57.122 58.200 0.023 0.000 0.826 162 S CB 0.712 63.920 63.200 0.013 0.000 1.095 162 S HN 0.814 nan 8.310 nan 0.000 0.461 163 N N 0.333 119.057 118.700 0.040 0.000 2.404 163 N HA 0.459 5.199 4.740 -0.000 0.000 0.297 163 N C -0.367 175.162 175.510 0.031 0.000 1.163 163 N CA -0.715 52.362 53.050 0.046 0.000 0.864 163 N CB 0.917 39.438 38.487 0.057 0.000 1.247 163 N HN 0.589 nan 8.380 nan 0.000 0.510 164 I N 1.212 121.802 120.570 0.033 0.000 2.815 164 I HA -0.065 4.105 4.170 -0.000 0.000 0.291 164 I C 0.859 176.982 176.117 0.010 0.000 1.209 164 I CA 0.833 62.148 61.300 0.025 0.000 1.431 164 I CB -0.354 37.663 38.000 0.029 0.000 1.351 164 I HN 0.281 nan 8.210 nan 0.000 0.585 165 S N 6.202 121.910 115.700 0.014 0.000 2.503 165 S HA 0.712 5.182 4.470 -0.000 0.000 0.301 165 S C 0.068 174.690 174.600 0.037 0.000 1.087 165 S CA -0.662 57.543 58.200 0.009 0.000 1.042 165 S CB 2.200 65.411 63.200 0.019 0.000 1.043 165 S HN 0.351 nan 8.310 nan 0.000 0.489 166 L N 1.355 122.617 121.223 0.065 0.000 2.578 166 L HA 0.568 4.908 4.340 -0.000 0.000 0.259 166 L C 0.770 177.710 176.870 0.117 0.000 1.082 166 L CA -1.275 53.631 54.840 0.111 0.000 0.843 166 L CB 0.451 42.623 42.059 0.188 0.000 1.535 166 L HN 0.493 nan 8.230 nan 0.000 0.510 167 R N 0.304 120.870 120.500 0.109 0.000 2.861 167 R HA -0.011 4.329 4.340 -0.000 0.000 0.268 167 R C 0.173 176.536 176.300 0.104 0.000 1.027 167 R CA 0.344 56.495 56.100 0.085 0.000 1.163 167 R CB -0.244 30.092 30.300 0.060 0.000 1.060 167 R HN 0.620 nan 8.270 nan 0.000 0.483 168 N N 1.382 120.128 118.700 0.076 0.000 2.693 168 N HA -0.298 4.442 4.740 -0.000 0.000 0.249 168 N C -0.882 174.696 175.510 0.113 0.000 1.119 168 N CA 0.381 53.478 53.050 0.078 0.000 0.717 168 N CB -0.786 37.738 38.487 0.061 0.000 1.071 168 N HN 0.686 nan 8.380 nan 0.000 0.555 169 N N -0.911 117.857 118.700 0.112 0.000 2.725 169 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 169 N C -0.959 174.660 175.510 0.182 0.000 1.031 169 N CA 1.150 54.271 53.050 0.117 0.000 0.720 169 N CB -0.864 37.677 38.487 0.090 0.000 0.930 169 N HN 0.525 nan 8.380 nan 0.000 0.543 170 Y N 0.655 121.000 120.300 0.075 0.000 2.326 170 Y HA 0.488 5.038 4.550 -0.000 0.000 0.337 170 Y C 0.150 176.123 175.900 0.122 0.000 1.023 170 Y CA -0.763 57.403 58.100 0.110 0.000 1.143 170 Y CB 0.807 39.321 38.460 0.091 0.000 1.183 170 Y HN 0.099 nan 8.280 nan 0.000 0.485 171 M N 9.978 129.300 119.600 -0.465 0.000 2.027 171 M HA 0.264 4.744 4.480 -0.000 0.000 0.329 171 M C -1.865 174.095 176.300 -0.566 0.000 0.971 171 M CA -1.802 53.252 55.300 -0.410 0.000 0.933 171 M CB 1.715 34.214 32.600 -0.167 0.000 1.392 171 M HN 0.470 nan 8.290 nan 0.000 0.394 172 P HA -0.133 nan 4.420 nan 0.000 0.223 172 P C 0.892 178.245 177.300 0.088 0.000 1.144 172 P CA 1.259 64.291 63.100 -0.112 0.000 0.783 172 P CB -0.013 31.717 31.700 0.050 0.000 0.771 173 S N -1.706 113.988 115.700 -0.009 0.000 2.603 173 S HA 0.054 4.524 4.470 -0.000 0.000 0.220 173 S C 1.345 175.941 174.600 -0.007 0.000 0.967 173 S CA 0.152 58.382 58.200 0.050 0.000 0.920 173 S CB -1.154 62.075 63.200 0.048 0.000 0.773 173 S HN 0.243 nan 8.310 nan 0.000 0.529 174 N N 0.427 119.025 118.700 -0.168 0.000 2.205 174 N HA 0.135 4.875 4.740 -0.000 0.000 0.201 174 N C -0.285 174.903 175.510 -0.536 0.000 1.128 174 N CA 0.028 52.864 53.050 -0.356 0.000 0.867 174 N CB 0.323 38.498 38.487 -0.519 0.000 0.996 174 N HN 0.412 nan 8.380 nan 0.000 0.503 175 H N -1.074 118.075 119.070 0.133 0.000 2.651 175 H HA 0.254 4.810 4.556 -0.000 0.000 0.241 175 H C 1.176 176.480 175.328 -0.040 0.000 1.225 175 H CA 0.354 56.469 56.048 0.112 0.000 0.942 175 H CB 0.639 30.558 29.762 0.261 0.000 1.996 175 H HN 0.251 nan 8.280 nan 0.000 0.600 176 G N 0.793 109.700 108.800 0.179 0.000 2.435 176 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.245 176 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.245 176 G C 1.129 176.142 174.900 0.188 0.000 1.073 176 G CA 0.733 46.005 45.100 0.287 0.000 0.638 176 G HN 0.404 nan 8.290 nan 0.000 0.521 177 F N 1.679 121.781 119.950 0.253 0.000 2.134 177 F HA 0.306 4.833 4.527 0.000 0.000 0.299 177 F C 2.230 178.178 175.800 0.248 0.000 1.097 177 F CA 1.963 60.099 58.000 0.226 0.000 1.264 177 F CB -0.498 38.631 39.000 0.215 0.000 1.001 177 F HN 1.124 nan 8.300 nan 0.000 0.479 178 G N 0.046 109.068 108.800 0.369 0.000 2.829 178 G HA2 0.074 4.034 3.960 -0.000 0.000 0.628 178 G HA3 0.074 4.034 3.960 -0.000 0.000 0.628 178 G C -0.546 174.473 174.900 0.199 0.000 1.412 178 G CA -0.498 44.746 45.100 0.241 0.000 0.864 178 G HN 0.903 nan 8.290 nan 0.000 0.544 179 S N -1.360 114.423 115.700 0.138 0.000 2.588 179 S HA 0.692 5.162 4.470 -0.000 0.000 0.269 179 S C -0.091 174.562 174.600 0.089 0.000 1.157 179 S CA -0.430 57.833 58.200 0.105 0.000 0.824 179 S CB 1.180 64.425 63.200 0.075 0.000 1.126 179 S HN 1.439 nan 8.310 nan 0.000 0.464 180 I N 1.692 122.306 120.570 0.074 0.000 2.919 180 I HA 0.251 4.421 4.170 -0.000 0.000 0.303 180 I C 0.891 177.051 176.117 0.072 0.000 1.221 180 I CA 0.543 61.885 61.300 0.070 0.000 1.444 180 I CB 0.149 38.180 38.000 0.051 0.000 1.331 180 I HN 0.861 nan 8.210 nan 0.000 0.572 181 A N 8.090 130.959 122.820 0.082 0.000 2.305 181 A HA 0.730 5.050 4.320 -0.000 0.000 0.322 181 A C -0.472 177.164 177.584 0.085 0.000 1.187 181 A CA -0.550 51.536 52.037 0.082 0.000 0.825 181 A CB 0.656 19.709 19.000 0.087 0.000 1.164 181 A HN 0.528 nan 8.150 nan 0.000 0.498 182 I N 3.607 124.224 120.570 0.078 0.000 2.382 182 I HA 0.271 4.441 4.170 -0.000 0.000 0.285 182 I C -0.409 175.765 176.117 0.095 0.000 1.007 182 I CA -0.500 60.852 61.300 0.087 0.000 1.142 182 I CB 0.828 38.870 38.000 0.070 0.000 1.289 182 I HN 0.238 nan 8.210 nan 0.000 0.453 183 V N 5.625 125.612 119.914 0.120 0.000 2.439 183 V HA 0.311 4.431 4.120 -0.000 0.000 0.282 183 V C 0.608 176.812 176.094 0.184 0.000 1.039 183 V CA -0.278 62.101 62.300 0.132 0.000 0.913 183 V CB 1.692 33.584 31.823 0.114 0.000 0.983 183 V HN 0.723 nan 8.190 nan 0.000 0.460 184 T N 6.595 121.258 114.554 0.182 0.000 2.811 184 T HA 0.388 4.738 4.350 -0.000 0.000 0.309 184 T C -0.644 174.262 174.700 0.343 0.000 1.005 184 T CA 0.030 62.260 62.100 0.217 0.000 0.955 184 T CB -0.235 68.714 68.868 0.135 0.000 0.970 184 T HN 0.385 nan 8.240 nan 0.000 0.496 185 F N 2.915 123.000 119.950 0.225 0.000 2.436 185 F HA 0.586 5.113 4.527 0.000 0.000 0.340 185 F C 0.270 176.291 175.800 0.369 0.000 1.113 185 F CA -1.536 56.620 58.000 0.260 0.000 1.022 185 F CB 1.743 40.892 39.000 0.249 0.000 1.128 185 F HN 0.361 nan 8.300 nan 0.000 0.466 186 S N 8.349 124.059 115.700 0.018 0.000 2.130 186 S HA 0.334 4.804 4.470 -0.000 0.000 0.165 186 S C -1.694 172.727 174.600 -0.299 0.000 1.677 186 S CA -1.406 56.795 58.200 0.001 0.000 1.227 186 S CB 0.390 63.680 63.200 0.150 0.000 1.115 186 S HN 0.534 nan 8.310 nan 0.000 0.452 187 P HA -0.163 nan 4.420 nan 0.000 0.216 187 P C 0.635 177.752 177.300 -0.305 0.000 1.153 187 P CA 1.308 63.964 63.100 -0.741 0.000 0.858 187 P CB 0.132 31.387 31.700 -0.741 0.000 0.789 188 E N -1.865 118.192 120.200 -0.238 0.000 2.526 188 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 188 E C -0.355 175.937 176.600 -0.513 0.000 1.091 188 E CA 0.281 56.472 56.400 -0.348 0.000 0.880 188 E CB -0.325 29.141 29.700 -0.390 0.000 0.873 188 E HN 0.416 nan 8.360 nan 0.000 0.527 189 Y N -0.525 119.768 120.300 -0.012 0.000 2.329 189 Y HA 0.327 4.877 4.550 -0.000 0.000 0.328 189 Y C 0.030 176.008 175.900 0.131 0.000 0.992 189 Y CA -0.668 57.493 58.100 0.101 0.000 1.151 189 Y CB 2.034 40.608 38.460 0.189 0.000 1.150 189 Y HN -0.227 nan 8.280 nan 0.000 0.450 190 S N 3.060 118.932 115.700 0.287 0.000 2.740 190 S HA 0.831 5.301 4.470 -0.000 0.000 0.300 190 S C -1.305 173.389 174.600 0.157 0.000 1.147 190 S CA -0.570 57.716 58.200 0.143 0.000 0.871 190 S CB 0.703 63.861 63.200 -0.071 0.000 1.173 190 S HN 0.388 nan 8.310 nan 0.000 0.510 191 F N 0.540 120.493 119.950 0.004 0.000 2.541 191 F HA 0.769 5.296 4.527 -0.000 0.000 0.331 191 F C -0.064 175.715 175.800 -0.035 0.000 1.057 191 F CA -1.189 56.617 58.000 -0.323 0.000 0.975 191 F CB 0.750 39.297 39.000 -0.754 0.000 1.246 191 F HN 0.555 nan 8.300 nan 0.000 0.484 192 R N 1.897 122.588 120.500 0.318 0.000 2.589 192 R HA 0.655 4.995 4.340 -0.000 0.000 0.293 192 R C -2.005 174.506 176.300 0.352 0.000 0.963 192 R CA -0.718 55.552 56.100 0.284 0.000 0.905 192 R CB 1.420 31.912 30.300 0.320 0.000 1.144 192 R HN 0.870 nan 8.270 nan 0.000 0.459 193 F N 1.759 121.779 119.950 0.118 0.000 2.574 193 F HA 0.407 4.934 4.527 0.000 0.000 0.313 193 F C -1.339 174.563 175.800 0.170 0.000 1.130 193 F CA -1.363 56.708 58.000 0.119 0.000 0.936 193 F CB 0.944 39.848 39.000 -0.160 0.000 1.219 193 F HN 0.511 nan 8.300 nan 0.000 0.445 194 N N 1.663 120.478 118.700 0.192 0.000 2.524 194 N HA 0.307 5.047 4.740 -0.000 0.000 0.283 194 N C -0.679 174.960 175.510 0.214 0.000 1.142 194 N CA -0.582 52.522 53.050 0.091 0.000 0.984 194 N CB 1.143 39.671 38.487 0.069 0.000 1.155 194 N HN 0.777 nan 8.380 nan 0.000 0.467 195 D N 0.972 121.489 120.400 0.195 0.000 2.469 195 D HA 0.070 4.710 4.640 -0.000 0.000 0.278 195 D C 0.278 176.685 176.300 0.177 0.000 1.231 195 D CA -0.347 53.803 54.000 0.250 0.000 1.075 195 D CB 0.015 40.998 40.800 0.306 0.000 1.121 195 D HN 0.549 nan 8.370 nan 0.000 0.571 196 N N -1.034 117.767 118.700 0.168 0.000 2.322 196 N HA -0.147 4.593 4.740 -0.000 0.000 0.189 196 N C -0.089 175.479 175.510 0.096 0.000 1.012 196 N CA 1.567 54.693 53.050 0.127 0.000 0.880 196 N CB -0.248 38.313 38.487 0.123 0.000 0.967 196 N HN 0.457 nan 8.380 nan 0.000 0.439 197 S N -0.397 115.357 115.700 0.089 0.000 2.496 197 S HA 0.286 4.756 4.470 -0.000 0.000 0.221 197 S C 0.285 174.904 174.600 0.032 0.000 1.260 197 S CA -0.989 57.245 58.200 0.056 0.000 1.181 197 S CB -0.031 63.198 63.200 0.049 0.000 1.136 197 S HN 0.319 nan 8.310 nan 0.000 0.467 198 M N 0.037 119.651 119.600 0.024 0.000 2.056 198 M HA -0.273 4.207 4.480 -0.000 0.000 0.192 198 M C -0.953 175.313 176.300 -0.057 0.000 0.222 198 M CA 1.320 56.616 55.300 -0.006 0.000 0.354 198 M CB -2.047 30.547 32.600 -0.009 0.000 0.967 198 M HN 0.678 nan 8.290 nan 0.000 0.952 199 N N 1.686 120.343 118.700 -0.073 0.000 2.425 199 N HA 0.321 5.061 4.740 -0.000 0.000 0.268 199 N C -0.866 174.447 175.510 -0.329 0.000 0.991 199 N CA -0.624 52.298 53.050 -0.214 0.000 0.931 199 N CB 0.984 39.368 38.487 -0.171 0.000 1.130 199 N HN 0.427 nan 8.380 nan 0.000 0.493 200 E N 2.400 122.341 120.200 -0.432 0.000 2.146 200 E HA 0.279 4.629 4.350 -0.000 0.000 0.282 200 E C -1.053 175.148 176.600 -0.665 0.000 0.989 200 E CA -0.187 55.964 56.400 -0.414 0.000 0.799 200 E CB 1.157 30.705 29.700 -0.253 0.000 1.088 200 E HN 0.322 nan 8.360 nan 0.000 0.397 201 F N 1.928 121.598 119.950 -0.468 0.000 2.556 201 F HA 0.421 4.948 4.527 0.000 0.000 0.327 201 F C 0.044 175.507 175.800 -0.561 0.000 1.059 201 F CA -1.064 56.603 58.000 -0.555 0.000 0.953 201 F CB 1.110 39.663 39.000 -0.745 0.000 1.227 201 F HN 0.249 nan 8.300 nan 0.000 0.478 202 I N 1.693 122.202 120.570 -0.102 0.000 2.412 202 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 202 I C -0.170 176.010 176.117 0.104 0.000 0.987 202 I CA -0.915 60.357 61.300 -0.046 0.000 1.180 202 I CB 1.349 39.275 38.000 -0.123 0.000 1.340 202 I HN 0.534 nan 8.210 nan 0.000 0.455 203 Q N 4.717 124.552 119.800 0.059 0.000 2.274 203 Q HA -0.014 4.326 4.340 -0.000 0.000 0.280 203 Q C -0.372 175.609 176.000 -0.031 0.000 1.047 203 Q CA 0.363 56.120 55.803 -0.077 0.000 0.907 203 Q CB 0.307 28.407 28.738 -1.064 0.000 1.171 203 Q HN 0.443 nan 8.270 nan 0.000 0.381 204 D N 4.954 125.381 120.400 0.045 0.000 2.425 204 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 204 D C -1.841 174.438 176.300 -0.034 0.000 1.147 204 D CA -1.913 52.124 54.000 0.061 0.000 0.879 204 D CB 1.348 42.154 40.800 0.011 0.000 1.179 204 D HN 0.431 nan 8.370 nan 0.000 0.456 205 P HA -0.107 nan 4.420 nan 0.000 0.215 205 P C 0.974 178.293 177.300 0.033 0.000 1.153 205 P CA 1.752 64.866 63.100 0.022 0.000 0.853 205 P CB 0.102 31.780 31.700 -0.036 0.000 0.788 206 A N -0.627 122.170 122.820 -0.038 0.000 1.986 206 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 206 A C 2.057 179.468 177.584 -0.288 0.000 1.171 206 A CA 1.578 53.502 52.037 -0.189 0.000 0.640 206 A CB -1.661 17.186 19.000 -0.257 0.000 0.811 206 A HN 0.204 nan 8.150 nan 0.000 0.451 207 L N -0.720 120.371 121.223 -0.221 0.000 2.554 207 L HA 0.050 4.390 4.340 -0.000 0.000 0.226 207 L C 2.020 178.859 176.870 -0.052 0.000 1.137 207 L CA 1.973 56.705 54.840 -0.180 0.000 0.863 207 L CB -0.332 41.647 42.059 -0.134 0.000 0.985 207 L HN 0.335 nan 8.230 nan 0.000 0.451 208 T N -1.157 113.379 114.554 -0.030 0.000 2.976 208 T HA -0.030 4.320 4.350 -0.000 0.000 0.257 208 T C 1.636 176.335 174.700 -0.001 0.000 1.051 208 T CA 0.957 63.094 62.100 0.063 0.000 1.141 208 T CB -0.124 68.820 68.868 0.127 0.000 0.881 208 T HN 0.212 nan 8.240 nan 0.000 0.461 209 L N 1.354 122.462 121.223 -0.192 0.000 2.027 209 L HA 0.152 4.492 4.340 -0.000 0.000 0.206 209 L C 2.283 178.983 176.870 -0.283 0.000 1.074 209 L CA 1.699 56.273 54.840 -0.443 0.000 0.745 209 L CB -0.739 40.834 42.059 -0.811 0.000 0.898 209 L HN 0.196 nan 8.230 nan 0.000 0.433 210 M N -1.396 118.046 119.600 -0.265 0.000 2.144 210 M HA -0.295 4.185 4.480 -0.000 0.000 0.260 210 M C 2.331 178.557 176.300 -0.124 0.000 1.067 210 M CA 2.105 57.267 55.300 -0.229 0.000 1.095 210 M CB -0.697 31.764 32.600 -0.232 0.000 1.365 210 M HN 0.485 nan 8.290 nan 0.000 0.406 211 H N 0.191 119.191 119.070 -0.118 0.000 2.353 211 H HA -0.144 4.412 4.556 0.000 0.000 0.300 211 H C 1.936 177.241 175.328 -0.038 0.000 1.090 211 H CA 1.529 57.543 56.048 -0.058 0.000 1.327 211 H CB 0.358 30.144 29.762 0.039 0.000 1.383 211 H HN 0.229 nan 8.280 nan 0.000 0.508 212 E N 0.495 120.818 120.200 0.205 0.000 2.107 212 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 212 E C 2.461 179.095 176.600 0.057 0.000 0.982 212 E CA 0.478 56.990 56.400 0.187 0.000 0.809 212 E CB -0.076 29.677 29.700 0.088 0.000 0.756 212 E HN 0.571 nan 8.360 nan 0.000 0.459 213 L N 0.403 121.585 121.223 -0.068 0.000 2.201 213 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 213 L C 2.359 179.134 176.870 -0.159 0.000 1.105 213 L CA 0.662 55.434 54.840 -0.113 0.000 0.775 213 L CB -0.301 41.640 42.059 -0.197 0.000 0.913 213 L HN 0.094 nan 8.230 nan 0.000 0.440 214 I N -1.262 119.172 120.570 -0.227 0.000 2.333 214 I HA -0.243 3.926 4.170 -0.000 0.000 0.246 214 I C 2.524 178.338 176.117 -0.505 0.000 1.106 214 I CA 0.754 61.825 61.300 -0.381 0.000 1.411 214 I CB -0.370 37.374 38.000 -0.428 0.000 1.082 214 I HN 0.282 nan 8.210 nan 0.000 0.420 215 H N 0.187 119.090 119.070 -0.279 0.000 2.456 215 H HA -0.064 4.492 4.556 -0.000 0.000 0.296 215 H C 2.488 177.761 175.328 -0.092 0.000 1.079 215 H CA 1.283 57.217 56.048 -0.189 0.000 1.322 215 H CB 0.125 29.885 29.762 -0.004 0.000 1.388 215 H HN 0.251 nan 8.280 nan 0.000 0.538 216 S N 0.432 116.164 115.700 0.053 0.000 2.362 216 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 216 S C 2.249 176.902 174.600 0.088 0.000 1.032 216 S CA 0.413 58.657 58.200 0.072 0.000 0.973 216 S CB -0.241 62.992 63.200 0.055 0.000 0.849 216 S HN 0.167 nan 8.310 nan 0.000 0.465 217 L N 2.249 123.495 121.223 0.038 0.000 2.013 217 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 217 L C 2.019 179.070 176.870 0.302 0.000 1.073 217 L CA 1.970 56.897 54.840 0.145 0.000 0.753 217 L CB -0.884 41.207 42.059 0.052 0.000 0.890 217 L HN 0.455 nan 8.230 nan 0.000 0.432 218 H N -1.615 117.492 119.070 0.061 0.000 2.352 218 H HA -0.109 4.447 4.556 0.000 0.000 0.299 218 H C 2.048 177.461 175.328 0.141 0.000 1.097 218 H CA 0.627 56.711 56.048 0.059 0.000 1.311 218 H CB -0.320 29.467 29.762 0.041 0.000 1.377 218 H HN 0.552 nan 8.280 nan 0.000 0.504 219 G N 0.834 109.791 108.800 0.261 0.000 2.402 219 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 219 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 219 G C 1.727 176.736 174.900 0.182 0.000 1.162 219 G CA 0.437 45.650 45.100 0.189 0.000 0.777 219 G HN 0.194 nan 8.290 nan 0.000 0.539 220 L N -1.077 120.254 121.223 0.180 0.000 2.042 220 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 220 L C 2.307 179.232 176.870 0.092 0.000 1.076 220 L CA 0.918 55.833 54.840 0.125 0.000 0.749 220 L CB -0.346 41.773 42.059 0.100 0.000 0.893 220 L HN 0.191 nan 8.230 nan 0.000 0.432 221 Y N 0.345 120.711 120.300 0.110 0.000 2.519 221 Y HA 0.102 4.652 4.550 -0.000 0.000 0.311 221 Y C 1.661 177.700 175.900 0.232 0.000 1.207 221 Y CA 0.421 58.590 58.100 0.115 0.000 1.289 221 Y CB -0.480 38.027 38.460 0.078 0.000 1.059 221 Y HN 0.280 nan 8.280 nan 0.000 0.507 222 G N 0.556 109.536 108.800 0.300 0.000 2.341 222 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.292 222 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.292 222 G C 0.747 175.790 174.900 0.238 0.000 1.021 222 G CA 0.422 45.678 45.100 0.260 0.000 0.905 222 G HN 0.590 nan 8.290 nan 0.000 0.508 223 A N -1.068 121.885 122.820 0.222 0.000 2.577 223 A HA 0.542 4.862 4.320 -0.000 0.000 0.280 223 A C 1.599 179.259 177.584 0.127 0.000 1.331 223 A CA 0.759 52.886 52.037 0.151 0.000 0.935 223 A CB 0.018 19.051 19.000 0.055 0.000 1.082 223 A HN 0.454 nan 8.150 nan 0.000 0.525 224 K N -0.921 119.543 120.400 0.105 0.000 2.360 224 K HA 0.096 4.416 4.320 -0.000 0.000 0.196 224 K C 1.938 178.543 176.600 0.008 0.000 1.049 224 K CA 0.496 56.836 56.287 0.088 0.000 1.049 224 K CB 0.300 32.858 32.500 0.097 0.000 0.881 224 K HN 0.443 nan 8.250 nan 0.000 0.542 225 G N 2.037 110.810 108.800 -0.046 0.000 2.503 225 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.221 225 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.221 225 G C 1.305 176.148 174.900 -0.095 0.000 1.131 225 G CA 0.970 46.007 45.100 -0.105 0.000 0.756 225 G HN 0.081 nan 8.290 nan 0.000 0.572 226 I N 0.837 121.342 120.570 -0.109 0.000 2.899 226 I HA 0.000 4.170 4.170 -0.000 0.000 0.257 226 I C 2.946 178.917 176.117 -0.244 0.000 1.115 226 I CA 1.598 62.729 61.300 -0.282 0.000 1.451 226 I CB -1.442 36.380 38.000 -0.297 0.000 1.251 226 I HN 0.303 nan 8.210 nan 0.000 0.456 227 T N -0.912 113.607 114.554 -0.059 0.000 3.093 227 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 227 T C 1.192 175.956 174.700 0.108 0.000 1.170 227 T CA 1.635 63.770 62.100 0.058 0.000 1.072 227 T CB -1.011 67.956 68.868 0.165 0.000 0.863 227 T HN 0.437 nan 8.240 nan 0.000 0.562 228 T N -3.162 111.425 114.554 0.056 0.000 3.231 228 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 228 T C 0.904 175.648 174.700 0.073 0.000 1.001 228 T CA -0.651 61.501 62.100 0.086 0.000 0.920 228 T CB 0.332 69.244 68.868 0.073 0.000 1.140 228 T HN 0.385 nan 8.240 nan 0.000 0.525 229 K N -0.132 120.297 120.400 0.049 0.000 2.425 229 K HA 0.266 4.586 4.320 -0.000 0.000 0.201 229 K C -0.817 175.996 176.600 0.355 0.000 1.128 229 K CA -0.261 56.094 56.287 0.114 0.000 1.000 229 K CB 0.734 33.239 32.500 0.008 0.000 0.961 229 K HN 0.225 nan 8.250 nan 0.000 0.555 230 Y N 1.111 121.455 120.300 0.073 0.000 2.335 230 Y HA 0.298 4.848 4.550 -0.000 0.000 0.338 230 Y C 0.633 176.578 175.900 0.075 0.000 0.977 230 Y CA -1.278 56.858 58.100 0.060 0.000 1.114 230 Y CB 1.423 39.912 38.460 0.047 0.000 1.182 230 Y HN 0.043 nan 8.280 nan 0.000 0.463 231 T N 0.627 115.299 114.554 0.198 0.000 2.693 231 T HA 0.828 5.178 4.350 -0.000 0.000 0.278 231 T C -1.034 173.706 174.700 0.066 0.000 0.994 231 T CA -0.821 61.370 62.100 0.153 0.000 1.033 231 T CB 1.877 70.831 68.868 0.142 0.000 1.342 231 T HN 0.197 nan 8.240 nan 0.000 0.538 232 I N 0.896 121.511 120.570 0.075 0.000 2.569 232 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 232 I C -0.059 176.089 176.117 0.051 0.000 1.088 232 I CA -0.515 60.797 61.300 0.019 0.000 1.047 232 I CB 1.681 39.652 38.000 -0.048 0.000 1.237 232 I HN 0.806 nan 8.210 nan 0.000 0.421 246 T N 1.806 116.472 114.554 0.187 0.000 2.807 246 T HA 0.461 4.811 4.350 -0.000 0.000 0.279 246 T C -0.059 174.853 174.700 0.354 0.000 0.993 246 T CA -0.625 61.614 62.100 0.232 0.000 0.970 246 T CB 0.987 69.992 68.868 0.228 0.000 0.950 246 T HN 0.439 nan 8.240 nan 0.000 0.441 247 N N 2.604 121.466 118.700 0.271 0.000 2.407 247 N HA 0.038 4.778 4.740 -0.000 0.000 0.250 247 N C 1.856 177.645 175.510 0.466 0.000 1.236 247 N CA -0.069 53.160 53.050 0.298 0.000 0.879 247 N CB 0.691 39.305 38.487 0.212 0.000 1.088 247 N HN 0.685 nan 8.380 nan 0.000 0.450 248 I N -0.761 120.054 120.570 0.408 0.000 2.530 248 I HA -0.213 3.957 4.170 -0.000 0.000 0.257 248 I C 1.811 178.204 176.117 0.460 0.000 1.179 248 I CA 1.214 62.788 61.300 0.457 0.000 1.440 248 I CB -0.176 37.957 38.000 0.221 0.000 1.087 248 I HN 0.413 nan 8.210 nan 0.000 0.440 249 E N 2.131 122.553 120.200 0.370 0.000 2.085 249 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 249 E C 2.018 178.858 176.600 0.400 0.000 0.994 249 E CA 1.724 58.355 56.400 0.385 0.000 0.801 249 E CB -0.119 29.807 29.700 0.377 0.000 0.743 249 E HN 0.487 nan 8.360 nan 0.000 0.453 250 E N -0.516 119.901 120.200 0.362 0.000 2.106 250 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 250 E C 1.926 178.568 176.600 0.069 0.000 0.984 250 E CA 0.793 57.323 56.400 0.216 0.000 0.806 250 E CB -0.412 29.285 29.700 -0.005 0.000 0.750 250 E HN 0.402 nan 8.360 nan 0.000 0.458 251 F N 0.441 120.523 119.950 0.219 0.000 2.163 251 F HA -0.047 4.480 4.527 0.000 0.000 0.297 251 F C 2.312 178.218 175.800 0.176 0.000 1.094 251 F CA 0.603 58.729 58.000 0.210 0.000 1.290 251 F CB -0.601 38.492 39.000 0.155 0.000 1.017 251 F HN -0.053 nan 8.300 nan 0.000 0.483 252 L N -0.675 120.748 121.223 0.332 0.000 2.201 252 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 252 L C 2.197 179.182 176.870 0.192 0.000 1.105 252 L CA 1.317 56.294 54.840 0.228 0.000 0.775 252 L CB -0.923 41.270 42.059 0.222 0.000 0.913 252 L HN 0.162 nan 8.230 nan 0.000 0.440 253 T N -0.991 113.625 114.554 0.103 0.000 2.894 253 T HA -0.103 4.247 4.350 -0.000 0.000 0.258 253 T C 1.543 176.150 174.700 -0.156 0.000 1.043 253 T CA 0.802 62.800 62.100 -0.169 0.000 1.141 253 T CB -0.212 68.300 68.868 -0.593 0.000 0.873 253 T HN 0.153 nan 8.240 nan 0.000 0.449 254 F N 1.815 121.688 119.950 -0.128 0.000 2.128 254 F HA 0.310 4.837 4.527 -0.000 0.000 0.295 254 F C 1.678 177.536 175.800 0.097 0.000 1.100 254 F CA 1.020 59.010 58.000 -0.017 0.000 1.260 254 F CB -0.706 38.333 39.000 0.067 0.000 1.009 254 F HN 0.372 nan 8.300 nan 0.000 0.476 255 G N -0.354 108.481 108.800 0.059 0.000 2.545 255 G HA2 0.177 4.137 3.960 -0.000 0.000 0.240 255 G HA3 0.177 4.137 3.960 -0.000 0.000 0.240 255 G C 0.877 175.762 174.900 -0.024 0.000 1.172 255 G CA 0.247 45.327 45.100 -0.034 0.000 0.949 255 G HN 1.473 nan 8.290 nan 0.000 0.574 256 G N -1.642 107.010 108.800 -0.246 0.000 2.574 256 G HA2 0.076 4.036 3.960 -0.000 0.000 0.295 256 G HA3 0.076 4.036 3.960 -0.000 0.000 0.295 256 G C 1.675 176.531 174.900 -0.074 0.000 1.300 256 G CA 2.820 47.703 45.100 -0.361 0.000 0.944 256 G HN 2.653 nan 8.290 nan 0.000 0.551 257 T N -2.360 112.243 114.554 0.083 0.000 3.072 257 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 257 T C 1.537 176.346 174.700 0.182 0.000 1.127 257 T CA 1.839 64.005 62.100 0.109 0.000 1.107 257 T CB -0.092 68.863 68.868 0.145 0.000 0.910 257 T HN 0.462 nan 8.240 nan 0.000 0.513 258 D N 1.272 121.855 120.400 0.305 0.000 2.264 258 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 258 D C 1.977 178.464 176.300 0.311 0.000 0.966 258 D CA 0.485 54.756 54.000 0.450 0.000 0.864 258 D CB -0.137 41.075 40.800 0.686 0.000 0.933 258 D HN 0.423 nan 8.370 nan 0.000 0.499 259 L N 0.998 122.332 121.223 0.185 0.000 1.994 259 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 259 L C 2.040 178.927 176.870 0.028 0.000 1.071 259 L CA 0.933 55.828 54.840 0.092 0.000 0.745 259 L CB -0.550 41.527 42.059 0.030 0.000 0.892 259 L HN -0.015 nan 8.230 nan 0.000 0.431 260 N N 0.642 119.354 118.700 0.021 0.000 2.247 260 N HA -0.222 4.518 4.740 -0.000 0.000 0.189 260 N C 1.752 177.246 175.510 -0.027 0.000 1.009 260 N CA 1.518 54.567 53.050 -0.003 0.000 0.872 260 N CB -0.498 37.993 38.487 0.007 0.000 0.980 260 N HN 0.437 nan 8.380 nan 0.000 0.436 261 I N 0.967 121.511 120.570 -0.043 0.000 2.423 261 I HA -0.147 4.023 4.170 -0.000 0.000 0.254 261 I C 0.681 176.703 176.117 -0.158 0.000 1.151 261 I CA 0.620 61.845 61.300 -0.125 0.000 1.421 261 I CB -0.242 37.600 38.000 -0.262 0.000 1.079 261 I HN -0.011 nan 8.210 nan 0.000 0.431 262 I N 1.393 121.889 120.570 -0.124 0.000 2.395 262 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 262 I C 0.881 176.967 176.117 -0.053 0.000 1.023 262 I CA -0.324 60.920 61.300 -0.092 0.000 1.350 262 I CB 0.957 38.922 38.000 -0.057 0.000 1.409 262 I HN 0.102 nan 8.210 nan 0.000 0.507 263 T N 1.090 115.618 114.554 -0.043 0.000 2.913 263 T HA 0.212 4.561 4.350 -0.000 0.000 0.287 263 T C 1.040 175.734 174.700 -0.012 0.000 1.008 263 T CA -0.735 61.346 62.100 -0.031 0.000 1.067 263 T CB 1.687 70.532 68.868 -0.038 0.000 0.996 263 T HN 0.537 nan 8.240 nan 0.000 0.513 264 S N 1.469 117.161 115.700 -0.014 0.000 2.359 264 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 264 S C 2.555 177.160 174.600 0.008 0.000 1.035 264 S CA 1.356 59.550 58.200 -0.009 0.000 1.018 264 S CB -1.116 62.071 63.200 -0.020 0.000 0.876 264 S HN 0.956 nan 8.310 nan 0.000 0.448 265 A N 1.134 123.957 122.820 0.005 0.000 1.971 265 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 265 A C 2.081 179.707 177.584 0.071 0.000 1.182 265 A CA 2.023 54.073 52.037 0.021 0.000 0.649 265 A CB -0.660 18.338 19.000 -0.003 0.000 0.818 265 A HN 0.654 nan 8.150 nan 0.000 0.458 266 Q N -1.076 118.771 119.800 0.078 0.000 2.033 266 Q HA -0.052 4.288 4.340 -0.000 0.000 0.196 266 Q C 2.412 178.495 176.000 0.138 0.000 0.970 266 Q CA 1.363 57.272 55.803 0.176 0.000 0.828 266 Q CB -0.239 28.591 28.738 0.154 0.000 0.895 266 Q HN 0.610 nan 8.270 nan 0.000 0.440 267 S N 1.344 117.087 115.700 0.071 0.000 2.420 267 S HA -0.153 4.317 4.470 -0.000 0.000 0.237 267 S C 1.585 176.241 174.600 0.093 0.000 1.023 267 S CA 0.993 59.230 58.200 0.061 0.000 0.991 267 S CB -0.236 62.978 63.200 0.025 0.000 0.792 267 S HN 0.312 nan 8.310 nan 0.000 0.488 268 N N 1.200 119.941 118.700 0.068 0.000 2.109 268 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 268 N C 1.063 176.642 175.510 0.114 0.000 1.034 268 N CA 1.186 54.268 53.050 0.054 0.000 0.846 268 N CB -0.339 38.163 38.487 0.025 0.000 1.010 268 N HN 0.261 nan 8.380 nan 0.000 0.425 269 D N 1.153 121.633 120.400 0.133 0.000 2.221 269 D HA -0.105 4.535 4.640 -0.000 0.000 0.204 269 D C 1.989 178.356 176.300 0.113 0.000 0.982 269 D CA 0.348 54.431 54.000 0.137 0.000 0.857 269 D CB -0.095 40.834 40.800 0.214 0.000 0.934 269 D HN 0.273 nan 8.370 nan 0.000 0.475 270 I N 0.121 120.773 120.570 0.136 0.000 2.072 270 I HA -0.281 3.889 4.170 -0.000 0.000 0.235 270 I C 2.345 178.620 176.117 0.265 0.000 1.058 270 I CA 1.154 62.557 61.300 0.173 0.000 1.320 270 I CB -1.507 36.617 38.000 0.208 0.000 1.047 270 I HN 0.075 nan 8.210 nan 0.000 0.397 271 Y N 2.011 122.382 120.300 0.118 0.000 2.151 271 Y HA -0.316 4.234 4.550 -0.000 0.000 0.284 271 Y C 2.789 178.678 175.900 -0.020 0.000 1.166 271 Y CA 2.609 60.626 58.100 -0.137 0.000 1.163 271 Y CB -0.323 37.834 38.460 -0.505 0.000 0.974 271 Y HN 0.181 nan 8.280 nan 0.000 0.511 272 T N 0.602 115.289 114.554 0.222 0.000 2.643 272 T HA -0.202 4.148 4.350 -0.000 0.000 0.264 272 T C 1.631 176.339 174.700 0.013 0.000 1.045 272 T CA 1.607 63.780 62.100 0.123 0.000 1.155 272 T CB -0.388 68.543 68.868 0.105 0.000 0.863 272 T HN 0.458 nan 8.240 nan 0.000 0.420 273 N N 1.046 119.768 118.700 0.036 0.000 2.166 273 N HA -0.038 4.702 4.740 -0.000 0.000 0.186 273 N C 1.830 177.331 175.510 -0.016 0.000 1.019 273 N CA 0.751 53.812 53.050 0.019 0.000 0.856 273 N CB -0.308 38.203 38.487 0.039 0.000 0.993 273 N HN 0.175 nan 8.380 nan 0.000 0.426 274 L N 1.162 122.375 121.223 -0.016 0.000 2.093 274 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 274 L C 2.111 178.810 176.870 -0.286 0.000 1.085 274 L CA 0.967 55.749 54.840 -0.096 0.000 0.755 274 L CB -0.611 41.455 42.059 0.011 0.000 0.904 274 L HN 0.045 nan 8.230 nan 0.000 0.435 275 L N -0.168 120.846 121.223 -0.347 0.000 1.994 275 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 275 L C 2.541 179.174 176.870 -0.395 0.000 1.071 275 L CA 2.134 56.499 54.840 -0.792 0.000 0.745 275 L CB -1.184 40.364 42.059 -0.852 0.000 0.892 275 L HN 0.249 nan 8.230 nan 0.000 0.431 276 A N -0.693 121.996 122.820 -0.219 0.000 1.917 276 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 276 A C 1.997 179.531 177.584 -0.083 0.000 1.182 276 A CA 2.045 54.010 52.037 -0.119 0.000 0.633 276 A CB -0.923 18.041 19.000 -0.060 0.000 0.819 276 A HN 0.586 nan 8.150 nan 0.000 0.448 277 D N -1.140 119.226 120.400 -0.057 0.000 2.097 277 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 277 D C 1.700 178.022 176.300 0.038 0.000 0.989 277 D CA 1.350 55.342 54.000 -0.014 0.000 0.827 277 D CB -0.462 40.375 40.800 0.061 0.000 0.966 277 D HN 0.540 nan 8.370 nan 0.000 0.456 278 Y N 1.367 121.590 120.300 -0.129 0.000 2.352 278 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 278 Y C 2.249 178.033 175.900 -0.194 0.000 1.136 278 Y CA 0.328 58.349 58.100 -0.132 0.000 1.227 278 Y CB -0.431 38.093 38.460 0.106 0.000 0.991 278 Y HN -0.000 nan 8.280 nan 0.000 0.545 279 K N -0.085 120.300 120.400 -0.025 0.000 2.097 279 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 279 K C 2.124 178.676 176.600 -0.079 0.000 1.050 279 K CA 1.285 57.535 56.287 -0.061 0.000 0.938 279 K CB -0.046 32.404 32.500 -0.083 0.000 0.718 279 K HN 0.003 nan 8.250 nan 0.000 0.442 280 K N 1.767 122.107 120.400 -0.101 0.000 2.057 280 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 280 K C 1.767 178.265 176.600 -0.170 0.000 1.049 280 K CA 1.159 57.384 56.287 -0.104 0.000 0.931 280 K CB -0.189 32.254 32.500 -0.095 0.000 0.714 280 K HN 0.054 nan 8.250 nan 0.000 0.440 281 I N 0.400 120.771 120.570 -0.332 0.000 2.361 281 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 281 I C 2.183 178.059 176.117 -0.402 0.000 1.133 281 I CA 1.166 62.129 61.300 -0.560 0.000 1.413 281 I CB -0.454 36.911 38.000 -1.059 0.000 1.073 281 I HN 0.254 nan 8.210 nan 0.000 0.424 282 A N 0.268 122.949 122.820 -0.232 0.000 1.930 282 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 282 A C 2.495 180.081 177.584 0.004 0.000 1.175 282 A CA 1.970 53.962 52.037 -0.075 0.000 0.627 282 A CB -0.538 18.476 19.000 0.023 0.000 0.815 282 A HN 0.389 nan 8.150 nan 0.000 0.443 283 S N 0.032 115.720 115.700 -0.021 0.000 2.368 283 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 283 S C 1.924 176.533 174.600 0.015 0.000 1.029 283 S CA 1.544 59.752 58.200 0.013 0.000 0.988 283 S CB -0.224 62.973 63.200 -0.004 0.000 0.838 283 S HN 0.637 nan 8.310 nan 0.000 0.462 284 K N 0.922 121.308 120.400 -0.024 0.000 2.026 284 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 284 K C 2.114 178.739 176.600 0.042 0.000 1.048 284 K CA 1.077 57.370 56.287 0.009 0.000 0.929 284 K CB -0.471 32.037 32.500 0.015 0.000 0.713 284 K HN 0.165 nan 8.250 nan 0.000 0.439 285 L N 1.521 122.750 121.223 0.010 0.000 2.127 285 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 285 L C 1.851 178.783 176.870 0.104 0.000 1.089 285 L CA 1.745 56.617 54.840 0.054 0.000 0.757 285 L CB -0.476 41.506 42.059 -0.128 0.000 0.899 285 L HN 0.008 nan 8.230 nan 0.000 0.434 286 S N -0.536 115.272 115.700 0.179 0.000 2.419 286 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 286 S C 1.695 176.374 174.600 0.131 0.000 1.016 286 S CA 1.383 59.741 58.200 0.263 0.000 0.974 286 S CB -0.234 63.084 63.200 0.196 0.000 0.786 286 S HN 0.550 nan 8.310 nan 0.000 0.492 287 K N 0.800 121.239 120.400 0.064 0.000 2.367 287 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 287 K C -0.191 176.393 176.600 -0.027 0.000 1.027 287 K CA -0.031 56.267 56.287 0.019 0.000 1.075 287 K CB 0.449 32.954 32.500 0.008 0.000 0.845 287 K HN 0.100 nan 8.250 nan 0.000 0.529 288 V N 2.630 122.503 119.914 -0.068 0.000 2.529 288 V HA -0.034 4.086 4.120 -0.000 0.000 0.292 288 V C 0.005 176.003 176.094 -0.160 0.000 1.028 288 V CA 0.098 62.268 62.300 -0.218 0.000 1.074 288 V CB 0.682 32.191 31.823 -0.522 0.000 0.958 288 V HN 0.199 nan 8.190 nan 0.000 0.481 289 Q N 4.804 124.516 119.800 -0.148 0.000 2.331 289 Q HA 0.556 4.896 4.340 -0.000 0.000 0.267 289 Q C -0.808 175.142 176.000 -0.084 0.000 1.006 289 Q CA -0.598 55.159 55.803 -0.077 0.000 0.818 289 Q CB 1.969 30.683 28.738 -0.039 0.000 1.276 289 Q HN 0.730 nan 8.270 nan 0.000 0.450 290 V N 1.882 121.775 119.914 -0.035 0.000 2.567 290 V HA 0.516 4.636 4.120 -0.000 0.000 0.289 290 V C 0.693 176.806 176.094 0.032 0.000 1.049 290 V CA 0.277 62.585 62.300 0.014 0.000 0.969 290 V CB 1.385 33.258 31.823 0.084 0.000 0.995 290 V HN 0.939 nan 8.190 nan 0.000 0.471 291 S N 2.117 117.842 115.700 0.043 0.000 2.607 291 S HA 0.114 4.584 4.470 -0.000 0.000 0.224 291 S C 0.482 175.110 174.600 0.046 0.000 0.969 291 S CA 0.582 58.805 58.200 0.038 0.000 0.927 291 S CB -1.051 62.170 63.200 0.036 0.000 0.772 291 S HN 1.106 nan 8.310 nan 0.000 0.533 292 N N 0.216 118.953 118.700 0.062 0.000 2.635 292 N HA 0.221 4.961 4.740 -0.000 0.000 0.260 292 N C -2.692 172.866 175.510 0.079 0.000 1.078 292 N CA -1.286 51.802 53.050 0.063 0.000 1.012 292 N CB 1.413 39.937 38.487 0.062 0.000 1.677 292 N HN -0.248 nan 8.380 nan 0.000 0.514 293 P HA -0.196 nan 4.420 nan 0.000 0.217 293 P C 1.480 178.834 177.300 0.090 0.000 1.148 293 P CA 0.706 63.852 63.100 0.077 0.000 0.828 293 P CB 0.255 31.990 31.700 0.058 0.000 0.783 294 L N -1.128 120.144 121.223 0.083 0.000 2.137 294 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 294 L C 2.394 179.339 176.870 0.125 0.000 1.085 294 L CA 1.435 56.325 54.840 0.084 0.000 0.760 294 L CB -1.958 40.146 42.059 0.075 0.000 0.893 294 L HN 0.086 nan 8.230 nan 0.000 0.434 295 L N -0.382 120.943 121.223 0.169 0.000 2.465 295 L HA -0.074 4.266 4.340 -0.000 0.000 0.224 295 L C 1.948 179.013 176.870 0.324 0.000 1.145 295 L CA 1.132 56.136 54.840 0.272 0.000 0.834 295 L CB -0.970 41.259 42.059 0.284 0.000 0.944 295 L HN 0.308 nan 8.230 nan 0.000 0.451 296 N N -0.051 118.783 118.700 0.224 0.000 2.120 296 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 296 N C -0.974 174.656 175.510 0.199 0.000 1.024 296 N CA 1.216 54.400 53.050 0.223 0.000 0.852 296 N CB -0.651 37.928 38.487 0.153 0.000 1.003 296 N HN 0.292 nan 8.380 nan 0.000 0.424 297 P HA -0.154 nan 4.420 nan 0.000 0.220 297 P C 0.538 177.809 177.300 -0.048 0.000 1.144 297 P CA 0.964 64.070 63.100 0.010 0.000 0.800 297 P CB -0.006 31.656 31.700 -0.064 0.000 0.772 298 Y N 0.296 120.593 120.300 -0.005 0.000 2.293 298 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 298 Y C 2.038 177.890 175.900 -0.079 0.000 1.137 298 Y CA 1.322 59.323 58.100 -0.164 0.000 1.202 298 Y CB -0.442 37.883 38.460 -0.224 0.000 0.990 298 Y HN -0.069 nan 8.280 nan 0.000 0.537 299 K N -0.359 120.277 120.400 0.394 0.000 2.097 299 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 299 K C 1.464 178.210 176.600 0.243 0.000 1.050 299 K CA 1.424 57.982 56.287 0.451 0.000 0.938 299 K CB -0.123 32.628 32.500 0.418 0.000 0.718 299 K HN 0.243 nan 8.250 nan 0.000 0.442 300 D N 0.664 121.158 120.400 0.157 0.000 2.178 300 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 300 D C 1.918 178.232 176.300 0.023 0.000 0.980 300 D CA 0.787 54.853 54.000 0.111 0.000 0.842 300 D CB -0.167 40.676 40.800 0.072 0.000 0.948 300 D HN -0.061 nan 8.370 nan 0.000 0.472 301 V N 0.644 120.480 119.914 -0.130 0.000 2.343 301 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 301 V C 2.055 178.036 176.094 -0.188 0.000 1.051 301 V CA 1.325 63.459 62.300 -0.276 0.000 1.036 301 V CB -0.511 30.963 31.823 -0.582 0.000 0.654 301 V HN 0.061 nan 8.190 nan 0.000 0.451 302 F N 0.153 120.209 119.950 0.177 0.000 2.293 302 F HA -0.003 4.524 4.527 -0.000 0.000 0.297 302 F C 2.386 178.331 175.800 0.242 0.000 1.089 302 F CA 1.061 59.234 58.000 0.288 0.000 1.377 302 F CB -0.647 38.611 39.000 0.430 0.000 1.051 302 F HN 0.180 nan 8.300 nan 0.000 0.511 303 E N 0.604 120.974 120.200 0.284 0.000 2.058 303 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 303 E C 2.378 179.113 176.600 0.225 0.000 0.997 303 E CA 1.293 57.833 56.400 0.233 0.000 0.801 303 E CB -0.138 29.720 29.700 0.263 0.000 0.746 303 E HN 0.310 nan 8.360 nan 0.000 0.450 304 A N 1.550 124.467 122.820 0.161 0.000 1.855 304 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 304 A C 2.123 179.774 177.584 0.111 0.000 1.191 304 A CA 1.833 53.942 52.037 0.121 0.000 0.613 304 A CB -0.570 18.471 19.000 0.068 0.000 0.829 304 A HN 0.234 nan 8.150 nan 0.000 0.442 305 K N -1.436 118.997 120.400 0.056 0.000 2.044 305 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 305 K C 1.433 177.947 176.600 -0.142 0.000 1.049 305 K CA 2.082 58.316 56.287 -0.089 0.000 0.927 305 K CB -0.365 31.956 32.500 -0.299 0.000 0.713 305 K HN 0.560 nan 8.250 nan 0.000 0.443 306 Y N 0.002 120.342 120.300 0.067 0.000 2.490 306 Y HA 0.210 4.760 4.550 -0.000 0.000 0.281 306 Y C 0.917 176.929 175.900 0.186 0.000 1.174 306 Y CA 0.335 58.417 58.100 -0.031 0.000 1.295 306 Y CB 0.552 38.860 38.460 -0.253 0.000 1.062 306 Y HN 0.353 nan 8.280 nan 0.000 0.522 307 G N 1.575 110.543 108.800 0.280 0.000 2.359 307 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.298 307 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.298 307 G C -0.382 174.683 174.900 0.276 0.000 1.030 307 G CA -0.006 45.257 45.100 0.273 0.000 1.149 307 G HN 0.308 nan 8.290 nan 0.000 0.512 308 L N -0.258 121.124 121.223 0.265 0.000 2.358 308 L HA 0.700 5.040 4.340 -0.000 0.000 0.268 308 L C -0.092 176.934 176.870 0.260 0.000 1.032 308 L CA -1.174 53.829 54.840 0.271 0.000 0.805 308 L CB 1.326 43.571 42.059 0.311 0.000 1.253 308 L HN 0.046 nan 8.230 nan 0.000 0.452 309 D N 0.701 121.240 120.400 0.233 0.000 2.481 309 D HA 0.297 4.937 4.640 -0.000 0.000 0.244 309 D C -0.846 175.515 176.300 0.103 0.000 1.057 309 D CA -0.465 53.629 54.000 0.157 0.000 0.848 309 D CB 2.718 43.580 40.800 0.103 0.000 1.388 309 D HN 0.278 nan 8.370 nan 0.000 0.475 310 K N 1.899 122.294 120.400 -0.009 0.000 2.240 310 K HA 0.201 4.521 4.320 -0.000 0.000 0.271 310 K C -0.425 176.098 176.600 -0.127 0.000 1.018 310 K CA -0.695 55.448 56.287 -0.241 0.000 0.874 310 K CB 0.799 33.121 32.500 -0.296 0.000 1.098 310 K HN 0.383 nan 8.250 nan 0.000 0.458 311 D N 2.908 123.234 120.400 -0.123 0.000 2.433 311 D HA 0.103 4.743 4.640 -0.000 0.000 0.255 311 D C 0.893 177.153 176.300 -0.066 0.000 1.226 311 D CA -0.412 53.550 54.000 -0.063 0.000 1.015 311 D CB 0.652 41.429 40.800 -0.038 0.000 1.091 311 D HN 0.367 nan 8.370 nan 0.000 0.527 312 A N -0.255 122.542 122.820 -0.038 0.000 2.131 312 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 312 A C 1.976 179.539 177.584 -0.035 0.000 1.158 312 A CA 1.338 53.356 52.037 -0.031 0.000 0.665 312 A CB -0.762 18.228 19.000 -0.016 0.000 0.795 312 A HN 0.437 nan 8.150 nan 0.000 0.460 313 S N -1.876 113.800 115.700 -0.041 0.000 2.593 313 S HA 0.352 4.821 4.470 -0.000 0.000 0.217 313 S C 1.383 175.951 174.600 -0.054 0.000 0.966 313 S CA 0.783 58.962 58.200 -0.036 0.000 0.914 313 S CB 0.082 63.267 63.200 -0.026 0.000 0.776 313 S HN 1.575 nan 8.310 nan 0.000 0.523 314 G N 1.398 110.141 108.800 -0.096 0.000 2.141 314 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 314 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 314 G C -0.073 174.704 174.900 -0.206 0.000 0.982 314 G CA -0.344 44.668 45.100 -0.148 0.000 0.662 314 G HN 0.395 nan 8.290 nan 0.000 0.527 315 I N 0.588 121.061 120.570 -0.162 0.000 2.385 315 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 315 I C 0.514 176.534 176.117 -0.162 0.000 0.988 315 I CA -1.606 59.635 61.300 -0.097 0.000 1.265 315 I CB 0.666 38.655 38.000 -0.018 0.000 1.388 315 I HN 0.031 nan 8.210 nan 0.000 0.480 316 Y N 3.362 123.689 120.300 0.044 0.000 2.335 316 Y HA 0.480 5.030 4.550 0.000 0.000 0.323 316 Y C 0.798 176.720 175.900 0.037 0.000 1.224 316 Y CA -0.090 58.043 58.100 0.055 0.000 1.241 316 Y CB 1.525 40.028 38.460 0.072 0.000 1.235 316 Y HN 0.633 nan 8.280 nan 0.000 0.492 317 S N -0.604 115.223 115.700 0.213 0.000 2.547 317 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 317 S C -1.641 173.038 174.600 0.131 0.000 1.150 317 S CA -1.129 57.146 58.200 0.124 0.000 0.850 317 S CB 0.705 63.948 63.200 0.072 0.000 1.118 317 S HN 0.351 nan 8.310 nan 0.000 0.461 318 V N 3.380 123.347 119.914 0.089 0.000 2.479 318 V HA 0.228 4.348 4.120 -0.000 0.000 0.281 318 V C 0.722 176.875 176.094 0.098 0.000 1.031 318 V CA -0.382 61.980 62.300 0.104 0.000 1.038 318 V CB 0.283 32.116 31.823 0.018 0.000 0.981 318 V HN 0.915 nan 8.190 nan 0.000 0.478 319 N N 6.093 124.883 118.700 0.150 0.000 2.415 319 N HA 0.069 4.809 4.740 -0.000 0.000 0.250 319 N C 1.083 176.690 175.510 0.162 0.000 1.127 319 N CA -0.403 52.729 53.050 0.137 0.000 0.945 319 N CB 0.721 39.297 38.487 0.149 0.000 1.196 319 N HN 0.516 nan 8.380 nan 0.000 0.499 320 I N 2.743 123.382 120.570 0.116 0.000 2.181 320 I HA -0.333 3.837 4.170 -0.000 0.000 0.247 320 I C 2.119 178.371 176.117 0.225 0.000 1.081 320 I CA 1.144 62.527 61.300 0.139 0.000 1.340 320 I CB -1.019 37.036 38.000 0.092 0.000 1.036 320 I HN 0.680 nan 8.210 nan 0.000 0.417 321 N N 1.092 119.895 118.700 0.171 0.000 2.142 321 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 321 N C 1.818 177.438 175.510 0.183 0.000 1.023 321 N CA 1.093 54.239 53.050 0.161 0.000 0.852 321 N CB 0.148 38.701 38.487 0.111 0.000 0.998 321 N HN 0.394 nan 8.380 nan 0.000 0.424 322 K N -0.096 120.418 120.400 0.191 0.000 2.097 322 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 322 K C 1.904 178.652 176.600 0.246 0.000 1.049 322 K CA 0.990 57.391 56.287 0.191 0.000 0.933 322 K CB -0.282 32.334 32.500 0.193 0.000 0.717 322 K HN 0.137 nan 8.250 nan 0.000 0.442 323 F N 2.923 122.957 119.950 0.140 0.000 2.046 323 F HA -0.291 4.236 4.527 0.000 0.000 0.297 323 F C 1.788 177.678 175.800 0.150 0.000 1.123 323 F CA 1.623 59.710 58.000 0.146 0.000 1.199 323 F CB -0.400 38.642 39.000 0.069 0.000 0.972 323 F HN 0.044 nan 8.300 nan 0.000 0.474 324 N N 0.859 119.706 118.700 0.244 0.000 2.091 324 N HA -0.224 4.516 4.740 -0.000 0.000 0.193 324 N C 1.543 177.114 175.510 0.103 0.000 1.021 324 N CA 1.844 55.003 53.050 0.181 0.000 0.862 324 N CB -0.813 37.800 38.487 0.210 0.000 1.018 324 N HN 0.406 nan 8.380 nan 0.000 0.429 325 D N 0.627 121.077 120.400 0.083 0.000 2.117 325 D HA -0.024 4.616 4.640 -0.000 0.000 0.198 325 D C 2.167 178.459 176.300 -0.013 0.000 0.982 325 D CA 0.437 54.461 54.000 0.041 0.000 0.828 325 D CB -0.191 40.637 40.800 0.047 0.000 0.967 325 D HN 0.303 nan 8.370 nan 0.000 0.464 326 I N 0.217 120.769 120.570 -0.030 0.000 2.226 326 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 326 I C 2.304 178.290 176.117 -0.217 0.000 1.100 326 I CA 0.722 61.954 61.300 -0.113 0.000 1.374 326 I CB -0.261 37.715 38.000 -0.039 0.000 1.057 326 I HN -0.095 nan 8.210 nan 0.000 0.413 327 F N 1.923 121.631 119.950 -0.403 0.000 2.095 327 F HA -0.265 4.262 4.527 0.000 0.000 0.298 327 F C 2.607 178.325 175.800 -0.136 0.000 1.104 327 F CA 1.876 59.666 58.000 -0.350 0.000 1.232 327 F CB -0.214 38.553 39.000 -0.389 0.000 0.987 327 F HN -0.137 nan 8.300 nan 0.000 0.475 328 K N 0.494 120.933 120.400 0.066 0.000 2.148 328 K HA -0.228 4.092 4.320 -0.000 0.000 0.204 328 K C 2.292 178.794 176.600 -0.163 0.000 1.050 328 K CA 1.412 57.699 56.287 0.001 0.000 0.942 328 K CB -0.215 32.304 32.500 0.031 0.000 0.724 328 K HN 0.263 nan 8.250 nan 0.000 0.446 329 K N 0.844 121.119 120.400 -0.208 0.000 2.057 329 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 329 K C 2.198 178.583 176.600 -0.358 0.000 1.050 329 K CA 0.817 56.929 56.287 -0.292 0.000 0.935 329 K CB -0.038 32.344 32.500 -0.197 0.000 0.715 329 K HN 0.131 nan 8.250 nan 0.000 0.439 330 L N 0.051 121.005 121.223 -0.447 0.000 2.013 330 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 330 L C 1.750 178.271 176.870 -0.582 0.000 1.073 330 L CA 1.621 56.089 54.840 -0.622 0.000 0.753 330 L CB -0.400 40.986 42.059 -1.122 0.000 0.890 330 L HN 0.291 nan 8.230 nan 0.000 0.432 331 Y N -1.216 118.897 120.300 -0.313 0.000 2.461 331 Y HA 0.006 4.556 4.550 -0.000 0.000 0.277 331 Y C 2.517 178.312 175.900 -0.174 0.000 1.182 331 Y CA 0.371 58.351 58.100 -0.200 0.000 1.276 331 Y CB -0.338 37.932 38.460 -0.316 0.000 1.087 331 Y HN 0.193 nan 8.280 nan 0.000 0.519 332 S N -0.840 114.724 115.700 -0.227 0.000 2.561 332 S HA -0.008 4.462 4.470 -0.000 0.000 0.225 332 S C 0.053 174.421 174.600 -0.386 0.000 0.977 332 S CA 0.065 58.058 58.200 -0.346 0.000 0.926 332 S CB -0.696 62.188 63.200 -0.526 0.000 0.769 332 S HN 0.110 nan 8.310 nan 0.000 0.533 333 F N 3.132 123.053 119.950 -0.048 0.000 2.385 333 F HA 0.569 5.096 4.527 0.000 0.000 0.360 333 F C 0.708 176.464 175.800 -0.073 0.000 1.122 333 F CA -0.585 57.379 58.000 -0.061 0.000 1.090 333 F CB 1.423 40.373 39.000 -0.084 0.000 1.150 333 F HN 0.114 nan 8.300 nan 0.000 0.472 334 T N -1.164 113.444 114.554 0.091 0.000 2.900 334 T HA 0.320 4.670 4.350 -0.000 0.000 0.303 334 T C 0.592 175.272 174.700 -0.034 0.000 1.142 334 T CA -0.819 61.273 62.100 -0.015 0.000 1.007 334 T CB 2.044 70.888 68.868 -0.041 0.000 1.156 334 T HN 0.607 nan 8.240 nan 0.000 0.490 335 E N 0.848 120.990 120.200 -0.096 0.000 2.023 335 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 335 E C 1.475 178.029 176.600 -0.076 0.000 1.003 335 E CA 1.258 57.632 56.400 -0.043 0.000 0.809 335 E CB -0.192 29.598 29.700 0.149 0.000 0.755 335 E HN 0.716 nan 8.360 nan 0.000 0.449 336 F N 1.258 120.915 119.950 -0.488 0.000 2.063 336 F HA -0.349 4.178 4.527 0.000 0.000 0.298 336 F C 2.205 177.886 175.800 -0.197 0.000 1.105 336 F CA 2.062 59.793 58.000 -0.449 0.000 1.215 336 F CB -0.121 38.502 39.000 -0.628 0.000 0.972 336 F HN 0.174 nan 8.300 nan 0.000 0.483 337 D N -0.002 120.478 120.400 0.134 0.000 2.097 337 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 337 D C 2.229 178.592 176.300 0.105 0.000 0.989 337 D CA 1.480 55.528 54.000 0.080 0.000 0.827 337 D CB -0.217 40.584 40.800 0.003 0.000 0.966 337 D HN 0.302 nan 8.370 nan 0.000 0.456 338 L N 0.075 121.366 121.223 0.112 0.000 2.046 338 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 338 L C 2.583 179.591 176.870 0.229 0.000 1.077 338 L CA 1.095 56.049 54.840 0.190 0.000 0.747 338 L CB -0.542 41.627 42.059 0.182 0.000 0.896 338 L HN 0.091 nan 8.230 nan 0.000 0.432 339 A N -0.203 122.684 122.820 0.111 0.000 1.873 339 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 339 A C 2.336 179.971 177.584 0.086 0.000 1.193 339 A CA 2.564 54.632 52.037 0.051 0.000 0.629 339 A CB -1.123 17.831 19.000 -0.077 0.000 0.826 339 A HN 0.409 nan 8.150 nan 0.000 0.447 340 T N -0.082 114.536 114.554 0.106 0.000 2.849 340 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 340 T C 1.687 176.449 174.700 0.104 0.000 1.066 340 T CA 1.839 64.017 62.100 0.129 0.000 1.130 340 T CB -0.194 68.763 68.868 0.149 0.000 0.864 340 T HN 0.592 nan 8.240 nan 0.000 0.481 341 K N -0.541 119.913 120.400 0.089 0.000 2.356 341 K HA 0.196 4.516 4.320 -0.000 0.000 0.195 341 K C 1.061 177.604 176.600 -0.095 0.000 1.037 341 K CA 0.366 56.650 56.287 -0.006 0.000 1.014 341 K CB 0.141 32.618 32.500 -0.038 0.000 0.815 341 K HN 0.293 nan 8.250 nan 0.000 0.507 342 F N 1.496 121.442 119.950 -0.006 0.000 2.695 342 F HA 0.107 4.634 4.527 -0.000 0.000 0.303 342 F C -0.235 175.556 175.800 -0.014 0.000 1.091 342 F CA 0.061 58.047 58.000 -0.024 0.000 1.300 342 F CB 0.245 39.215 39.000 -0.050 0.000 1.071 342 F HN -0.066 nan 8.300 nan 0.000 0.578 343 Q N 0.352 120.248 119.800 0.160 0.000 2.459 343 Q HA -0.142 4.198 4.340 -0.000 0.000 0.314 343 Q C -1.272 174.754 176.000 0.042 0.000 1.432 343 Q CA 0.021 55.950 55.803 0.210 0.000 0.823 343 Q CB -1.671 27.199 28.738 0.221 0.000 1.124 343 Q HN 0.082 nan 8.270 nan 0.000 0.392 344 V N 0.843 120.604 119.914 -0.254 0.000 2.577 344 V HA 0.349 4.469 4.120 -0.000 0.000 0.303 344 V C 0.112 175.637 176.094 -0.950 0.000 1.042 344 V CA -0.970 61.016 62.300 -0.524 0.000 0.872 344 V CB 2.016 33.721 31.823 -0.197 0.000 0.998 344 V HN 0.288 nan 8.190 nan 0.000 0.423 345 K N 2.901 122.429 120.400 -1.453 0.000 2.494 345 K HA 0.282 4.602 4.320 -0.000 0.000 0.273 345 K C -0.508 175.891 176.600 -0.335 0.000 0.970 345 K CA 0.514 56.154 56.287 -1.078 0.000 0.963 345 K CB 0.511 32.362 32.500 -1.081 0.000 0.913 345 K HN 0.812 nan 8.250 nan 0.000 0.502 346 C N 3.445 122.654 119.300 -0.151 0.000 3.173 346 C HA 0.571 5.030 4.460 -0.000 0.000 0.310 346 C C -0.662 174.209 174.990 -0.198 0.000 1.306 346 C CA -0.936 57.973 59.018 -0.181 0.000 1.426 346 C CB 1.094 28.637 27.740 -0.328 0.000 1.800 346 C HN 1.036 nan 8.230 nan 0.000 0.470 347 R N 1.418 121.631 120.500 -0.478 0.000 2.822 347 R HA 0.227 4.567 4.340 -0.000 0.000 0.277 347 R C 0.643 176.916 176.300 -0.046 0.000 1.102 347 R CA 0.156 56.060 56.100 -0.327 0.000 1.207 347 R CB 0.256 30.271 30.300 -0.475 0.000 1.139 347 R HN 0.840 nan 8.270 nan 0.000 0.557 348 Q N -0.767 119.091 119.800 0.097 0.000 2.350 348 Q HA 0.122 4.462 4.340 -0.000 0.000 0.225 348 Q C 0.116 176.389 176.000 0.455 0.000 0.878 348 Q CA 0.391 56.310 55.803 0.194 0.000 0.935 348 Q CB 1.035 29.900 28.738 0.211 0.000 1.099 348 Q HN 0.490 nan 8.270 nan 0.000 0.527 349 T N -1.636 113.101 114.554 0.306 0.000 2.868 349 T HA 0.657 5.007 4.350 -0.000 0.000 0.306 349 T C -0.431 173.949 174.700 -0.532 0.000 1.224 349 T CA -0.185 62.030 62.100 0.192 0.000 1.012 349 T CB 1.531 70.481 68.868 0.137 0.000 1.221 349 T HN 0.122 nan 8.240 nan 0.000 0.499 350 A N 2.857 125.289 122.820 -0.647 0.000 2.123 350 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 350 A C 0.742 178.065 177.584 -0.435 0.000 1.152 350 A CA 0.430 51.962 52.037 -0.842 0.000 0.728 350 A CB -0.132 18.507 19.000 -0.601 0.000 0.814 350 A HN 0.612 nan 8.150 nan 0.000 0.464 351 I N -0.017 120.397 120.570 -0.260 0.000 2.428 351 I HA 0.585 4.755 4.170 -0.000 0.000 0.296 351 I C 0.607 176.606 176.117 -0.196 0.000 0.985 351 I CA 0.348 61.540 61.300 -0.181 0.000 1.260 351 I CB 0.442 38.401 38.000 -0.069 0.000 1.389 351 I HN 0.323 nan 8.210 nan 0.000 0.484 352 G N 6.050 114.690 108.800 -0.267 0.000 2.435 352 G HA2 0.039 3.999 3.960 -0.000 0.000 0.603 352 G HA3 0.039 3.999 3.960 -0.000 0.000 0.603 352 G C -1.164 173.304 174.900 -0.720 0.000 1.496 352 G CA -0.916 43.921 45.100 -0.438 0.000 0.896 352 G HN 0.408 nan 8.290 nan 0.000 0.657 353 Q N -0.040 119.377 119.800 -0.638 0.000 2.317 353 Q HA 0.723 5.063 4.340 -0.000 0.000 0.229 353 Q C -0.800 174.648 176.000 -0.919 0.000 0.984 353 Q CA -0.074 55.396 55.803 -0.555 0.000 0.911 353 Q CB 1.234 29.812 28.738 -0.267 0.000 1.217 353 Q HN 0.606 nan 8.270 nan 0.000 0.501 354 Y N -0.952 119.209 120.300 -0.232 0.000 2.625 354 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 354 Y C -0.388 175.318 175.900 -0.324 0.000 1.123 354 Y CA -1.193 56.738 58.100 -0.282 0.000 1.046 354 Y CB 1.456 39.647 38.460 -0.448 0.000 1.299 354 Y HN 0.386 nan 8.280 nan 0.000 0.464 355 K N 0.838 121.183 120.400 -0.092 0.000 2.211 355 K HA 0.443 4.763 4.320 -0.000 0.000 0.275 355 K C -2.020 174.267 176.600 -0.522 0.000 1.024 355 K CA -0.226 55.892 56.287 -0.282 0.000 0.887 355 K CB 0.227 32.589 32.500 -0.229 0.000 1.084 355 K HN 0.518 nan 8.250 nan 0.000 0.463 356 Y N 4.050 123.975 120.300 -0.625 0.000 2.320 356 Y HA 0.413 4.963 4.550 -0.000 0.000 0.334 356 Y C -0.408 174.982 175.900 -0.849 0.000 1.055 356 Y CA -0.208 57.427 58.100 -0.775 0.000 1.143 356 Y CB 0.824 38.352 38.460 -1.552 0.000 1.193 356 Y HN 0.415 nan 8.280 nan 0.000 0.477 357 F N 1.312 121.256 119.950 -0.010 0.000 2.579 357 F HA 0.457 4.984 4.527 -0.000 0.000 0.324 357 F C -0.149 175.763 175.800 0.186 0.000 1.058 357 F CA -1.449 56.592 58.000 0.068 0.000 0.944 357 F CB 1.677 40.678 39.000 0.001 0.000 1.245 357 F HN 0.209 nan 8.300 nan 0.000 0.477 358 K N 2.215 122.820 120.400 0.341 0.000 2.205 358 K HA 0.570 4.890 4.320 -0.000 0.000 0.279 358 K C -1.254 175.321 176.600 -0.041 0.000 1.027 358 K CA -0.355 55.920 56.287 -0.020 0.000 0.932 358 K CB 0.643 33.099 32.500 -0.073 0.000 1.032 358 K HN 0.627 nan 8.250 nan 0.000 0.466 359 L N 2.850 123.987 121.223 -0.143 0.000 2.334 359 L HA 0.223 4.563 4.340 -0.000 0.000 0.277 359 L C 0.338 177.159 176.870 -0.082 0.000 1.075 359 L CA -0.710 54.087 54.840 -0.071 0.000 0.804 359 L CB 1.670 43.700 42.059 -0.047 0.000 1.174 359 L HN 0.704 nan 8.230 nan 0.000 0.438 360 S N 1.438 117.117 115.700 -0.034 0.000 2.563 360 S HA -0.073 4.397 4.470 -0.000 0.000 0.284 360 S C 0.360 174.947 174.600 -0.021 0.000 1.331 360 S CA -0.381 57.806 58.200 -0.022 0.000 1.047 360 S CB 0.049 63.249 63.200 0.001 0.000 0.859 360 S HN 0.676 nan 8.310 nan 0.000 0.514 361 N N 1.623 120.311 118.700 -0.020 0.000 1.939 361 N HA -0.144 4.596 4.740 -0.000 0.000 0.301 361 N C 0.594 176.094 175.510 -0.016 0.000 1.353 361 N CA 0.425 53.465 53.050 -0.018 0.000 0.851 361 N CB -0.243 38.245 38.487 0.003 0.000 1.153 361 N HN 0.604 nan 8.380 nan 0.000 0.496 362 L N 3.397 124.579 121.223 -0.069 0.000 2.217 362 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 362 L C 1.769 178.620 176.870 -0.031 0.000 1.107 362 L CA 0.666 55.430 54.840 -0.127 0.000 0.783 362 L CB -0.153 41.746 42.059 -0.265 0.000 0.919 362 L HN 0.636 nan 8.230 nan 0.000 0.442 363 L N -0.378 120.840 121.223 -0.009 0.000 2.622 363 L HA -0.064 4.276 4.340 -0.000 0.000 0.233 363 L C 0.937 177.832 176.870 0.042 0.000 1.156 363 L CA 0.029 54.881 54.840 0.021 0.000 0.866 363 L CB -0.629 41.437 42.059 0.012 0.000 0.980 363 L HN 0.277 nan 8.230 nan 0.000 0.448 364 N N 1.094 119.825 118.700 0.051 0.000 2.402 364 N HA -0.055 4.685 4.740 -0.000 0.000 0.252 364 N C 0.430 175.993 175.510 0.087 0.000 1.118 364 N CA 0.082 53.168 53.050 0.060 0.000 0.945 364 N CB 0.930 39.452 38.487 0.058 0.000 1.147 364 N HN 0.089 nan 8.380 nan 0.000 0.495 365 D N 1.720 122.159 120.400 0.065 0.000 2.149 365 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 365 D C 1.094 177.429 176.300 0.058 0.000 0.990 365 D CA 1.280 55.315 54.000 0.059 0.000 0.839 365 D CB 0.252 41.072 40.800 0.034 0.000 0.948 365 D HN 0.477 nan 8.370 nan 0.000 0.460 366 S N -0.045 115.688 115.700 0.055 0.000 2.507 366 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 366 S C 2.011 176.657 174.600 0.078 0.000 0.988 366 S CA 0.457 58.688 58.200 0.052 0.000 0.944 366 S CB 0.178 63.402 63.200 0.039 0.000 0.762 366 S HN 0.324 nan 8.310 nan 0.000 0.526 367 I N -2.210 118.431 120.570 0.117 0.000 3.132 367 I HA 0.227 4.397 4.170 -0.000 0.000 0.255 367 I C 0.103 176.393 176.117 0.289 0.000 1.118 367 I CA 0.278 61.692 61.300 0.190 0.000 1.463 367 I CB 0.208 38.327 38.000 0.198 0.000 1.356 367 I HN 0.134 nan 8.210 nan 0.000 0.463 368 Y N 3.542 123.882 120.300 0.068 0.000 2.361 368 Y HA 0.411 4.961 4.550 -0.000 0.000 0.337 368 Y C -0.671 175.205 175.900 -0.040 0.000 0.965 368 Y CA -1.248 56.830 58.100 -0.037 0.000 1.091 368 Y CB 0.955 39.327 38.460 -0.147 0.000 1.182 368 Y HN 0.152 nan 8.280 nan 0.000 0.450 369 N N 4.492 123.033 118.700 -0.265 0.000 2.405 369 N HA 0.304 5.044 4.740 -0.000 0.000 0.285 369 N C 0.177 175.545 175.510 -0.236 0.000 1.262 369 N CA -0.643 52.323 53.050 -0.141 0.000 0.773 369 N CB 1.111 39.549 38.487 -0.082 0.000 1.490 369 N HN 0.660 nan 8.380 nan 0.000 0.486 370 I N 0.680 121.195 120.570 -0.091 0.000 2.058 370 I HA -0.328 3.842 4.170 -0.000 0.000 0.235 370 I C 2.488 178.562 176.117 -0.073 0.000 1.053 370 I CA 2.225 63.488 61.300 -0.061 0.000 1.313 370 I CB -0.496 37.499 38.000 -0.007 0.000 1.039 370 I HN 0.776 nan 8.210 nan 0.000 0.396 371 S N 0.297 115.967 115.700 -0.050 0.000 2.380 371 S HA -0.266 4.204 4.470 -0.000 0.000 0.229 371 S C 1.702 176.280 174.600 -0.038 0.000 1.043 371 S CA 1.918 60.098 58.200 -0.032 0.000 1.038 371 S CB -0.456 62.727 63.200 -0.027 0.000 0.872 371 S HN 0.570 nan 8.310 nan 0.000 0.456 372 E N 0.165 120.313 120.200 -0.087 0.000 2.514 372 E HA 0.373 4.723 4.350 -0.000 0.000 0.215 372 E C 1.340 177.829 176.600 -0.185 0.000 0.946 372 E CA 0.141 56.496 56.400 -0.075 0.000 1.038 372 E CB 0.879 30.559 29.700 -0.034 0.000 1.069 372 E HN 0.586 nan 8.360 nan 0.000 0.503 373 G N 1.369 109.912 108.800 -0.428 0.000 2.557 373 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.292 373 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.292 373 G C 0.521 175.003 174.900 -0.696 0.000 1.162 373 G CA 0.643 45.146 45.100 -0.995 0.000 0.964 373 G HN 0.185 nan 8.290 nan 0.000 0.541 374 Y N 2.032 122.169 120.300 -0.271 0.000 2.177 374 Y HA 0.173 4.723 4.550 -0.000 0.000 0.291 374 Y C 2.156 178.053 175.900 -0.006 0.000 1.117 374 Y CA 1.263 59.344 58.100 -0.032 0.000 1.114 374 Y CB -0.717 37.791 38.460 0.080 0.000 1.017 374 Y HN 0.452 nan 8.280 nan 0.000 0.505 375 N N 1.815 120.636 118.700 0.201 0.000 2.484 375 N HA 0.072 4.812 4.740 -0.000 0.000 0.295 375 N C -0.911 174.654 175.510 0.091 0.000 1.240 375 N CA -0.011 53.135 53.050 0.161 0.000 1.085 375 N CB -0.408 38.207 38.487 0.214 0.000 1.465 375 N HN 0.194 nan 8.380 nan 0.000 0.496 376 I N 1.865 122.480 120.570 0.074 0.000 2.353 376 I HA 0.092 4.262 4.170 -0.000 0.000 0.293 376 I C 0.947 177.085 176.117 0.034 0.000 0.992 376 I CA -0.656 60.667 61.300 0.039 0.000 1.268 376 I CB 0.743 38.763 38.000 0.032 0.000 1.387 376 I HN 0.481 nan 8.210 nan 0.000 0.478 377 N N 4.101 122.815 118.700 0.022 0.000 1.276 377 N HA -0.370 4.370 4.740 -0.000 0.000 0.137 377 N C 1.035 176.556 175.510 0.018 0.000 0.642 377 N CA 2.106 55.165 53.050 0.016 0.000 0.986 377 N CB -0.796 37.698 38.487 0.012 0.000 1.277 377 N HN 0.723 nan 8.380 nan 0.000 0.495 378 N N 1.268 119.977 118.700 0.015 0.000 2.334 378 N HA -0.021 4.719 4.740 -0.000 0.000 0.187 378 N C 1.695 177.218 175.510 0.021 0.000 1.016 378 N CA 0.871 53.929 53.050 0.012 0.000 0.879 378 N CB -0.241 38.251 38.487 0.008 0.000 0.965 378 N HN 0.400 nan 8.380 nan 0.000 0.438 379 L N -0.120 121.125 121.223 0.036 0.000 2.395 379 L HA -0.056 4.284 4.340 -0.000 0.000 0.218 379 L C 2.015 178.934 176.870 0.081 0.000 1.130 379 L CA 0.489 55.364 54.840 0.059 0.000 0.826 379 L CB -0.255 41.848 42.059 0.073 0.000 0.941 379 L HN 0.207 nan 8.230 nan 0.000 0.451 380 K N 0.335 120.774 120.400 0.065 0.000 2.152 380 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 380 K C 0.628 177.233 176.600 0.008 0.000 1.048 380 K CA 0.682 57.014 56.287 0.076 0.000 0.933 380 K CB -1.236 31.293 32.500 0.048 0.000 0.721 380 K HN -0.015 nan 8.250 nan 0.000 0.447 381 V N 3.396 123.302 119.914 -0.014 0.000 2.583 381 V HA -0.130 3.990 4.120 -0.000 0.000 0.302 381 V C 0.335 176.377 176.094 -0.086 0.000 1.033 381 V CA 1.033 63.297 62.300 -0.059 0.000 1.194 381 V CB -1.209 30.598 31.823 -0.026 0.000 0.879 381 V HN 0.792 nan 8.190 nan 0.000 0.482 382 N N 4.718 123.279 118.700 -0.230 0.000 2.693 382 N HA -0.279 4.461 4.740 -0.000 0.000 0.250 382 N C -0.215 175.211 175.510 -0.142 0.000 1.033 382 N CA 0.796 53.668 53.050 -0.297 0.000 0.747 382 N CB -1.025 37.416 38.487 -0.078 0.000 0.964 382 N HN 0.684 nan 8.380 nan 0.000 0.540 383 F N -2.958 117.014 119.950 0.038 0.000 3.039 383 F HA -0.293 4.234 4.527 -0.000 0.000 0.287 383 F C 1.656 177.585 175.800 0.215 0.000 0.956 383 F CA 1.015 59.029 58.000 0.023 0.000 0.971 383 F CB -2.038 36.812 39.000 -0.251 0.000 0.943 383 F HN 0.408 nan 8.300 nan 0.000 0.766 384 R N 0.982 121.647 120.500 0.275 0.000 2.096 384 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 384 R C 2.343 178.746 176.300 0.172 0.000 1.127 384 R CA 1.510 57.732 56.100 0.202 0.000 0.968 384 R CB -0.554 29.802 30.300 0.093 0.000 0.861 384 R HN 0.557 nan 8.270 nan 0.000 0.440 385 G N -0.399 108.506 108.800 0.176 0.000 2.559 385 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 385 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 385 G C 1.028 175.967 174.900 0.066 0.000 1.126 385 G CA 0.167 45.341 45.100 0.123 0.000 0.778 385 G HN 0.406 nan 8.290 nan 0.000 0.543 386 Q N -0.497 119.422 119.800 0.198 0.000 2.319 386 Q HA 0.117 4.457 4.340 -0.000 0.000 0.209 386 Q C 0.343 176.488 176.000 0.241 0.000 0.884 386 Q CA -0.479 55.430 55.803 0.178 0.000 0.938 386 Q CB 0.381 29.270 28.738 0.251 0.000 1.098 386 Q HN 0.211 nan 8.270 nan 0.000 0.517 387 N N 0.781 119.550 118.700 0.115 0.000 2.416 387 N HA 0.058 4.798 4.740 -0.000 0.000 0.265 387 N C 0.423 175.746 175.510 -0.313 0.000 1.195 387 N CA 0.060 52.878 53.050 -0.387 0.000 0.943 387 N CB 1.293 39.562 38.487 -0.363 0.000 1.115 387 N HN 0.204 nan 8.380 nan 0.000 0.481 388 A N 4.513 127.114 122.820 -0.366 0.000 1.940 388 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 388 A C 1.811 179.225 177.584 -0.283 0.000 1.176 388 A CA 1.516 53.355 52.037 -0.331 0.000 0.631 388 A CB -0.266 18.520 19.000 -0.356 0.000 0.814 388 A HN 0.829 nan 8.150 nan 0.000 0.446 389 N N -0.362 118.171 118.700 -0.278 0.000 2.220 389 N HA 0.072 4.812 4.740 -0.000 0.000 0.182 389 N C 1.308 176.714 175.510 -0.175 0.000 1.023 389 N CA 0.974 53.897 53.050 -0.212 0.000 0.856 389 N CB -0.177 38.189 38.487 -0.201 0.000 0.997 389 N HN 0.373 nan 8.380 nan 0.000 0.429 390 L N 0.093 121.205 121.223 -0.185 0.000 2.610 390 L HA 0.056 4.396 4.340 -0.000 0.000 0.232 390 L C 0.174 176.981 176.870 -0.105 0.000 1.149 390 L CA 0.401 55.164 54.840 -0.127 0.000 0.872 390 L CB -0.287 41.705 42.059 -0.111 0.000 0.992 390 L HN 0.193 nan 8.230 nan 0.000 0.447 391 N N -0.960 117.659 118.700 -0.134 0.000 2.785 391 N HA 0.172 4.912 4.740 -0.000 0.000 0.224 391 N C -2.240 173.174 175.510 -0.159 0.000 1.448 391 N CA -0.833 52.145 53.050 -0.120 0.000 0.748 391 N CB 0.925 39.351 38.487 -0.102 0.000 1.385 391 N HN -0.265 nan 8.380 nan 0.000 0.538 392 P HA -0.031 nan 4.420 nan 0.000 0.226 392 P C 1.166 178.384 177.300 -0.136 0.000 1.153 392 P CA 0.512 63.517 63.100 -0.158 0.000 0.777 392 P CB 0.296 31.919 31.700 -0.127 0.000 0.794 393 R N 0.264 120.704 120.500 -0.101 0.000 2.185 393 R HA -0.151 4.189 4.340 -0.000 0.000 0.247 393 R C 2.156 178.414 176.300 -0.070 0.000 1.159 393 R CA 1.356 57.416 56.100 -0.066 0.000 0.988 393 R CB -1.519 28.761 30.300 -0.033 0.000 0.871 393 R HN 0.417 nan 8.270 nan 0.000 0.458 394 I N -1.866 118.624 120.570 -0.134 0.000 2.500 394 I HA 0.028 4.197 4.170 -0.000 0.000 0.252 394 I C 0.965 177.007 176.117 -0.125 0.000 1.142 394 I CA 0.730 61.944 61.300 -0.144 0.000 1.451 394 I CB -0.088 37.661 38.000 -0.417 0.000 1.093 394 I HN -0.163 nan 8.210 nan 0.000 0.430 395 I N 2.283 122.748 120.570 -0.175 0.000 2.577 395 I HA 0.204 4.374 4.170 -0.000 0.000 0.300 395 I C 0.553 176.614 176.117 -0.093 0.000 0.990 395 I CA -0.673 60.529 61.300 -0.163 0.000 1.283 395 I CB 1.570 39.372 38.000 -0.329 0.000 1.411 395 I HN 0.150 nan 8.210 nan 0.000 0.515 396 T N 1.962 116.493 114.554 -0.039 0.000 2.889 396 T HA 0.497 4.847 4.350 -0.000 0.000 0.291 396 T C -2.316 172.382 174.700 -0.003 0.000 0.995 396 T CA -1.475 60.615 62.100 -0.016 0.000 1.092 396 T CB 0.828 69.696 68.868 0.000 0.000 0.954 396 T HN 0.274 nan 8.240 nan 0.000 0.506 397 P HA 0.490 nan 4.420 nan 0.000 0.276 397 P C -0.638 176.674 177.300 0.019 0.000 1.244 397 P CA -0.860 62.239 63.100 -0.001 0.000 0.801 397 P CB 0.452 32.146 31.700 -0.011 0.000 1.006 398 I N 0.693 121.277 120.570 0.024 0.000 2.664 398 I HA 0.255 4.425 4.170 -0.000 0.000 0.308 398 I C 1.154 177.282 176.117 0.018 0.000 0.984 398 I CA -0.100 61.217 61.300 0.028 0.000 1.213 398 I CB 1.416 39.440 38.000 0.039 0.000 1.379 398 I HN 0.476 nan 8.210 nan 0.000 0.501 399 T N 1.898 116.462 114.554 0.017 0.000 3.188 399 T HA 0.388 4.738 4.350 -0.000 0.000 0.250 399 T C 1.165 175.872 174.700 0.012 0.000 1.077 399 T CA 0.330 62.438 62.100 0.014 0.000 0.967 399 T CB -0.530 68.347 68.868 0.015 0.000 1.006 399 T HN 1.319 nan 8.240 nan 0.000 0.552 400 G N 2.213 111.020 108.800 0.013 0.000 3.329 400 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.220 400 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.220 400 G C 1.269 176.177 174.900 0.012 0.000 1.358 400 G CA 0.391 45.498 45.100 0.011 0.000 0.856 400 G HN 0.508 nan 8.290 nan 0.000 0.551 401 R N 0.634 121.141 120.500 0.012 0.000 2.062 401 R HA 0.064 4.404 4.340 -0.000 0.000 0.231 401 R C 3.022 179.331 176.300 0.016 0.000 1.136 401 R CA 1.645 57.753 56.100 0.013 0.000 0.948 401 R CB -0.821 29.487 30.300 0.014 0.000 0.845 401 R HN 0.506 nan 8.270 nan 0.000 0.430 402 G N 1.655 110.465 108.800 0.018 0.000 2.462 402 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 402 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 402 G C 1.320 176.232 174.900 0.020 0.000 1.121 402 G CA 0.225 45.337 45.100 0.020 0.000 0.758 402 G HN 0.141 nan 8.290 nan 0.000 0.559 403 L N 0.829 122.064 121.223 0.020 0.000 2.068 403 L HA 0.055 4.395 4.340 -0.000 0.000 0.204 403 L C 2.852 179.733 176.870 0.018 0.000 1.076 403 L CA 1.368 56.220 54.840 0.021 0.000 0.753 403 L CB -0.844 41.227 42.059 0.021 0.000 0.910 403 L HN 0.163 nan 8.230 nan 0.000 0.439 404 V N 0.729 120.652 119.914 0.015 0.000 2.407 404 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 404 V C 2.644 178.746 176.094 0.013 0.000 1.055 404 V CA 1.932 64.240 62.300 0.013 0.000 1.049 404 V CB -0.738 31.091 31.823 0.011 0.000 0.662 404 V HN 0.463 nan 8.190 nan 0.000 0.455 405 K N -0.025 120.383 120.400 0.015 0.000 2.283 405 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 405 K C 2.217 178.827 176.600 0.016 0.000 1.048 405 K CA 1.228 57.524 56.287 0.015 0.000 0.948 405 K CB -0.036 32.474 32.500 0.017 0.000 0.742 405 K HN 0.358 nan 8.250 nan 0.000 0.458 406 K N 0.439 120.850 120.400 0.018 0.000 2.186 406 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 406 K C 1.855 178.465 176.600 0.016 0.000 1.052 406 K CA 0.558 56.856 56.287 0.019 0.000 0.965 406 K CB 0.099 32.611 32.500 0.022 0.000 0.746 406 K HN 0.135 nan 8.250 nan 0.000 0.457 407 I N 1.819 122.398 120.570 0.015 0.000 2.530 407 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 407 I C 0.586 176.710 176.117 0.011 0.000 1.179 407 I CA 0.494 61.802 61.300 0.013 0.000 1.440 407 I CB -0.155 37.852 38.000 0.012 0.000 1.087 407 I HN 0.061 nan 8.210 nan 0.000 0.440 408 I N 3.123 123.700 120.570 0.011 0.000 2.532 408 I HA 0.024 4.194 4.170 -0.000 0.000 0.302 408 I C 0.668 176.791 176.117 0.009 0.000 1.176 408 I CA 0.320 61.626 61.300 0.009 0.000 1.975 408 I CB -2.340 35.665 38.000 0.009 0.000 1.536 408 I HN 0.312 nan 8.210 nan 0.000 0.919 409 R N 0.000 120.505 120.500 0.009 0.000 2.786 409 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 409 R CA 0.000 56.105 56.100 0.008 0.000 0.921 409 R CB 0.000 30.304 30.300 0.006 0.000 0.687 409 R HN 0.000 nan 8.270 nan 0.000 0.535