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 1hjv_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.899 175.900 -0.001 0.000 1.272 22 Y CA 0.000 58.102 58.100 0.004 0.000 1.940 22 Y CB 0.000 38.464 38.460 0.006 0.000 1.050 23 K N 2.425 122.912 120.400 0.145 0.000 2.249 23 K HA 0.565 4.885 4.320 0.000 0.000 0.280 23 K C -1.158 175.431 176.600 -0.019 0.000 1.033 23 K CA -0.720 55.570 56.287 0.006 0.000 0.946 23 K CB 0.866 33.239 32.500 -0.213 0.000 1.005 23 K HN 0.494 nan 8.250 nan 0.000 0.469 24 L N 5.424 126.652 121.223 0.009 0.000 2.433 24 L HA 0.242 4.582 4.340 0.000 0.000 0.256 24 L C -1.349 175.515 176.870 -0.010 0.000 1.063 24 L CA -0.564 54.278 54.840 0.002 0.000 0.922 24 L CB 1.236 43.317 42.059 0.037 0.000 1.238 24 L HN 0.233 nan 8.230 nan 0.000 0.466 25 V N 2.978 122.839 119.914 -0.089 0.000 2.427 25 V HA 0.290 4.410 4.120 0.000 0.000 0.268 25 V C 0.115 176.210 176.094 0.002 0.000 1.046 25 V CA -0.273 61.977 62.300 -0.084 0.000 0.970 25 V CB 0.510 32.218 31.823 -0.193 0.000 1.001 25 V HN 0.777 nan 8.190 nan 0.000 0.476 26 c N 5.322 123.901 118.600 -0.035 0.000 2.379 26 c HA 0.601 5.171 4.570 0.000 0.000 0.323 26 c C -0.197 173.817 174.090 -0.125 0.000 1.262 26 c CA -1.221 55.102 56.329 -0.011 0.000 1.581 26 c CB 0.313 42.814 42.510 -0.015 0.000 2.221 26 c HN 0.759 nan 8.230 nan 0.000 0.497 27 Y N 1.159 121.408 120.300 -0.085 0.000 2.299 27 Y HA 0.426 4.976 4.550 0.000 0.000 0.326 27 Y C -0.037 175.604 175.900 -0.431 0.000 1.164 27 Y CA 0.077 58.013 58.100 -0.272 0.000 1.234 27 Y CB 0.642 38.807 38.460 -0.492 0.000 1.219 27 Y HN 0.713 nan 8.280 nan 0.000 0.497 28 Y N 3.049 123.103 120.300 -0.409 0.000 2.338 28 Y HA 0.390 4.940 4.550 0.000 0.000 0.333 28 Y C -0.361 175.054 175.900 -0.809 0.000 0.968 28 Y CA -1.215 56.566 58.100 -0.532 0.000 1.123 28 Y CB 1.006 39.252 38.460 -0.357 0.000 1.165 28 Y HN 0.660 nan 8.280 nan 0.000 0.452 29 T N 1.160 114.616 114.554 -1.830 0.000 2.889 29 T HA 0.246 4.596 4.350 0.000 0.000 0.291 29 T C 1.003 174.510 174.700 -1.988 0.000 0.995 29 T CA -0.074 60.816 62.100 -2.016 0.000 1.092 29 T CB 1.352 68.683 68.868 -2.562 0.000 0.954 29 T HN 0.734 nan 8.240 nan 0.000 0.506 30 S N 1.044 115.965 115.700 -1.298 0.000 2.522 30 S HA -0.041 4.429 4.470 0.000 0.000 0.227 30 S C 1.345 175.669 174.600 -0.461 0.000 0.986 30 S CA -0.024 57.772 58.200 -0.673 0.000 0.929 30 S CB -0.822 62.270 63.200 -0.179 0.000 0.769 30 S HN 1.005 nan 8.310 nan 0.000 0.529 31 W N 2.099 123.184 121.300 -0.358 0.000 3.197 31 W HA 0.389 5.049 4.660 0.000 0.000 0.274 31 W C 1.593 177.953 176.519 -0.264 0.000 1.297 31 W CA 0.082 57.317 57.345 -0.183 0.000 1.662 31 W CB -0.720 28.761 29.460 0.034 0.000 1.106 31 W HN 0.258 nan 8.180 nan 0.000 0.663 32 S N 1.013 116.279 115.700 -0.723 0.000 2.555 32 S HA -0.233 4.237 4.470 0.000 0.000 0.230 32 S C 1.727 176.044 174.600 -0.471 0.000 0.978 32 S CA 1.014 58.902 58.200 -0.521 0.000 0.934 32 S CB -0.758 62.009 63.200 -0.721 0.000 0.766 32 S HN 0.696 nan 8.310 nan 0.000 0.533 33 Q N 0.182 119.578 119.800 -0.674 0.000 2.230 33 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 33 Q C 0.804 176.498 176.000 -0.509 0.000 0.963 33 Q CA 1.022 56.281 55.803 -0.906 0.000 0.866 33 Q CB -0.714 27.305 28.738 -1.199 0.000 0.931 33 Q HN 0.682 nan 8.270 nan 0.000 0.452 34 Y N 1.079 121.362 120.300 -0.029 0.000 2.471 34 Y HA 0.306 4.856 4.550 0.000 0.000 0.286 34 Y C 0.237 176.208 175.900 0.118 0.000 1.188 34 Y CA -0.460 57.696 58.100 0.093 0.000 1.286 34 Y CB 0.076 38.627 38.460 0.151 0.000 1.072 34 Y HN -0.032 nan 8.280 nan 0.000 0.517 35 R N 1.196 121.817 120.500 0.202 0.000 2.441 35 R HA 0.151 4.491 4.340 0.000 0.000 0.284 35 R C 0.237 176.707 176.300 0.283 0.000 1.070 35 R CA -0.490 55.761 56.100 0.252 0.000 1.047 35 R CB 0.750 31.201 30.300 0.253 0.000 1.016 35 R HN 0.302 nan 8.270 nan 0.000 0.477 36 E N 0.804 121.196 120.200 0.320 0.000 2.436 36 E HA -0.039 4.311 4.350 0.000 0.000 0.262 36 E C 1.024 177.885 176.600 0.435 0.000 1.063 36 E CA 0.806 57.398 56.400 0.319 0.000 0.944 36 E CB 0.443 30.283 29.700 0.234 0.000 0.950 36 E HN 0.768 nan 8.360 nan 0.000 0.444 37 G N 3.417 112.413 108.800 0.327 0.000 2.684 37 G HA2 -0.409 3.552 3.960 0.000 0.000 0.332 37 G HA3 -0.409 3.552 3.960 0.000 0.000 0.332 37 G C 0.519 175.535 174.900 0.193 0.000 1.306 37 G CA 0.591 45.867 45.100 0.294 0.000 1.002 37 G HN 0.758 nan 8.290 nan 0.000 0.545 38 D N 1.804 122.257 120.400 0.089 0.000 2.378 38 D HA 0.056 4.696 4.640 0.000 0.000 0.227 38 D C 2.265 178.463 176.300 -0.170 0.000 1.012 38 D CA 1.236 55.176 54.000 -0.101 0.000 0.905 38 D CB -0.567 40.096 40.800 -0.229 0.000 0.895 38 D HN 0.541 nan 8.370 nan 0.000 0.532 39 G N 0.364 109.093 108.800 -0.118 0.000 2.464 39 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 39 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 39 G C 0.888 175.894 174.900 0.176 0.000 1.138 39 G CA -0.074 45.022 45.100 -0.007 0.000 0.793 39 G HN 0.185 nan 8.290 nan 0.000 0.539 40 S N -0.366 115.436 115.700 0.171 0.000 2.544 40 S HA 0.221 4.691 4.470 0.000 0.000 0.290 40 S C -0.270 174.346 174.600 0.026 0.000 1.276 40 S CA -0.316 57.925 58.200 0.069 0.000 1.075 40 S CB -0.082 63.209 63.200 0.152 0.000 0.849 40 S HN 0.311 nan 8.310 nan 0.000 0.494 41 C N 7.162 126.288 119.300 -0.291 0.000 2.397 41 C HA 0.750 5.211 4.460 0.000 0.000 0.325 41 C C -1.098 173.677 174.990 -0.358 0.000 1.201 41 C CA -0.831 57.964 59.018 -0.372 0.000 1.377 41 C CB -0.527 26.692 27.740 -0.868 0.000 2.038 41 C HN 0.851 nan 8.230 nan 0.000 0.457 42 F N 5.566 125.511 119.950 -0.008 0.000 2.538 42 F HA 0.477 5.004 4.527 0.000 0.000 0.325 42 F C -1.377 174.316 175.800 -0.178 0.000 1.066 42 F CA -1.899 56.080 58.000 -0.035 0.000 0.946 42 F CB 1.378 40.367 39.000 -0.019 0.000 1.199 42 F HN 0.369 nan 8.300 nan 0.000 0.473 43 P HA -0.244 nan 4.420 nan 0.000 0.218 43 P C 1.113 178.334 177.300 -0.130 0.000 1.154 43 P CA 1.986 64.864 63.100 -0.370 0.000 0.872 43 P CB 0.033 31.589 31.700 -0.241 0.000 0.790 44 D N -0.978 119.415 120.400 -0.012 0.000 2.378 44 D HA -0.062 4.578 4.640 0.000 0.000 0.227 44 D C 1.271 177.615 176.300 0.073 0.000 1.012 44 D CA 0.751 54.757 54.000 0.010 0.000 0.905 44 D CB -0.282 40.517 40.800 -0.001 0.000 0.895 44 D HN 0.137 nan 8.370 nan 0.000 0.532 45 A N 0.336 123.232 122.820 0.127 0.000 2.238 45 A HA 0.240 4.560 4.320 0.000 0.000 0.210 45 A C 1.242 179.021 177.584 0.325 0.000 1.179 45 A CA -0.296 51.882 52.037 0.235 0.000 0.827 45 A CB -0.123 19.070 19.000 0.322 0.000 0.856 45 A HN 0.225 nan 8.150 nan 0.000 0.488 46 L N 0.694 122.028 121.223 0.186 0.000 2.326 46 L HA 0.232 4.572 4.340 0.000 0.000 0.278 46 L C -0.078 176.790 176.870 -0.004 0.000 1.092 46 L CA -0.772 54.140 54.840 0.120 0.000 0.810 46 L CB 0.672 42.694 42.059 -0.061 0.000 1.153 46 L HN 0.137 nan 8.230 nan 0.000 0.439 47 D N 2.849 123.145 120.400 -0.173 0.000 2.346 47 D HA -0.015 4.625 4.640 0.000 0.000 0.260 47 D C 1.188 177.408 176.300 -0.133 0.000 1.252 47 D CA -0.236 53.703 54.000 -0.102 0.000 0.895 47 D CB 0.901 41.592 40.800 -0.181 0.000 1.097 47 D HN 0.551 nan 8.370 nan 0.000 0.489 48 R N 2.730 123.178 120.500 -0.087 0.000 2.316 48 R HA -0.030 4.310 4.340 0.000 0.000 0.202 48 R C 0.797 176.887 176.300 -0.350 0.000 1.029 48 R CA 0.892 56.854 56.100 -0.229 0.000 1.018 48 R CB -0.175 29.944 30.300 -0.301 0.000 0.888 48 R HN 0.278 nan 8.270 nan 0.000 0.471 49 F N -0.538 119.368 119.950 -0.073 0.000 2.720 49 F HA 0.197 4.724 4.527 0.000 0.000 0.301 49 F C 1.586 177.350 175.800 -0.061 0.000 1.103 49 F CA -0.502 57.465 58.000 -0.054 0.000 1.291 49 F CB 0.196 39.177 39.000 -0.031 0.000 1.086 49 F HN -0.051 nan 8.300 nan 0.000 0.592 50 L N 0.001 121.249 121.223 0.042 0.000 1.970 50 L HA -0.146 4.194 4.340 0.000 0.000 0.212 50 L C 0.848 177.705 176.870 -0.022 0.000 1.071 50 L CA 1.464 56.287 54.840 -0.027 0.000 0.751 50 L CB -0.406 41.536 42.059 -0.194 0.000 0.889 50 L HN 0.070 nan 8.230 nan 0.000 0.432 51 c N -1.730 116.834 118.600 -0.058 0.000 2.349 51 c HA 0.473 5.043 4.570 0.000 0.000 0.361 51 c C 2.005 176.088 174.090 -0.011 0.000 1.189 51 c CA -0.016 56.298 56.329 -0.025 0.000 2.155 51 c CB 1.238 43.723 42.510 -0.042 0.000 2.336 51 c HN 0.625 nan 8.230 nan 0.000 0.540 52 T N -1.895 112.687 114.554 0.046 0.000 3.031 52 T HA 0.076 4.426 4.350 0.000 0.000 0.254 52 T C 0.175 174.839 174.700 -0.059 0.000 1.060 52 T CA 0.994 63.124 62.100 0.049 0.000 1.135 52 T CB -0.195 68.795 68.868 0.203 0.000 0.896 52 T HN 0.781 nan 8.240 nan 0.000 0.472 53 H N -0.402 118.634 119.070 -0.057 0.000 2.679 53 H HA 0.684 5.240 4.556 0.000 0.000 0.360 53 H C -1.157 174.138 175.328 -0.056 0.000 1.105 53 H CA -1.068 54.959 56.048 -0.035 0.000 1.196 53 H CB 1.594 31.335 29.762 -0.034 0.000 1.636 53 H HN 0.179 nan 8.280 nan 0.000 0.531 54 I N 4.139 124.747 120.570 0.064 0.000 2.439 54 I HA 0.303 4.473 4.170 0.000 0.000 0.285 54 I C -0.510 175.625 176.117 0.030 0.000 1.021 54 I CA -0.422 60.883 61.300 0.007 0.000 1.091 54 I CB 1.272 39.268 38.000 -0.006 0.000 1.242 54 I HN 0.393 nan 8.210 nan 0.000 0.439 55 I N 6.194 126.694 120.570 -0.117 0.000 2.331 55 I HA 0.224 4.394 4.170 0.000 0.000 0.292 55 I C -0.626 175.485 176.117 -0.010 0.000 0.998 55 I CA -0.722 60.505 61.300 -0.123 0.000 1.267 55 I CB 1.095 38.814 38.000 -0.468 0.000 1.386 55 I HN 0.474 nan 8.210 nan 0.000 0.476 56 Y N 6.339 126.641 120.300 0.003 0.000 2.313 56 Y HA 0.413 4.963 4.550 0.000 0.000 0.332 56 Y C 0.169 176.073 175.900 0.006 0.000 1.071 56 Y CA -0.098 58.061 58.100 0.098 0.000 1.169 56 Y CB 1.044 39.657 38.460 0.255 0.000 1.192 56 Y HN 0.659 nan 8.280 nan 0.000 0.487 57 S N 5.002 120.487 115.700 -0.359 0.000 2.540 57 S HA 0.704 5.174 4.470 0.000 0.000 0.275 57 S C -1.444 172.871 174.600 -0.474 0.000 1.123 57 S CA -0.789 57.125 58.200 -0.476 0.000 0.907 57 S CB 1.377 63.900 63.200 -1.129 0.000 1.081 57 S HN 0.472 nan 8.310 nan 0.000 0.476 58 F N 0.592 120.624 119.950 0.137 0.000 2.618 58 F HA 0.869 5.396 4.527 0.000 0.000 0.332 58 F C 0.462 176.469 175.800 0.345 0.000 1.061 58 F CA -0.692 57.447 58.000 0.231 0.000 0.974 58 F CB 1.978 41.046 39.000 0.114 0.000 1.310 58 F HN 0.962 nan 8.300 nan 0.000 0.491 59 A N 1.567 124.792 122.820 0.674 0.000 2.337 59 A HA 0.598 4.918 4.320 0.000 0.000 0.329 59 A C -0.645 177.355 177.584 0.693 0.000 1.146 59 A CA -0.611 51.799 52.037 0.622 0.000 0.800 59 A CB 1.006 20.231 19.000 0.375 0.000 1.220 59 A HN 0.701 nan 8.150 nan 0.000 0.472 60 N N 0.337 119.429 118.700 0.654 0.000 0.000 60 N HA 0.547 5.288 4.740 0.000 0.000 0.000 60 N C -0.852 174.778 175.510 0.200 0.000 0.000 60 N CA -0.343 52.958 53.050 0.418 0.000 0.000 60 N CB 0.441 38.905 38.487 -0.038 0.000 0.000 60 N HN 0.508 nan 8.380 nan 0.000 0.000 61 I N 0.489 121.093 120.570 0.057 0.000 2.497 61 I HA 0.174 4.344 4.170 0.000 0.000 0.284 61 I C -0.789 175.256 176.117 -0.119 0.000 1.060 61 I CA -0.547 60.721 61.300 -0.053 0.000 1.071 61 I CB 1.595 39.449 38.000 -0.242 0.000 1.216 61 I HN 0.294 nan 8.210 nan 0.000 0.442 62 S N 5.199 120.870 115.700 -0.047 0.000 2.552 62 S HA 0.402 4.872 4.470 0.000 0.000 0.314 62 S C 0.055 174.666 174.600 0.018 0.000 1.099 62 S CA -0.342 57.820 58.200 -0.063 0.000 1.070 62 S CB 0.613 63.778 63.200 -0.059 0.000 0.998 62 S HN 0.738 nan 8.310 nan 0.000 0.474 63 N N 4.066 122.761 118.700 -0.008 0.000 2.696 63 N HA -0.159 4.581 4.740 0.000 0.000 0.256 63 N C -0.306 175.319 175.510 0.191 0.000 1.031 63 N CA 1.189 54.271 53.050 0.054 0.000 0.730 63 N CB -1.422 37.084 38.487 0.033 0.000 0.894 63 N HN 0.788 nan 8.380 nan 0.000 0.544 64 D N -2.190 118.251 120.400 0.068 0.000 3.059 64 D HA -0.270 4.370 4.640 0.000 0.000 0.222 64 D C -0.468 175.869 176.300 0.063 0.000 1.185 64 D CA 1.623 55.643 54.000 0.033 0.000 0.904 64 D CB -1.278 39.544 40.800 0.036 0.000 1.122 64 D HN 0.758 nan 8.370 nan 0.000 0.410 65 H N -0.447 118.665 119.070 0.070 0.000 2.495 65 H HA 0.540 5.096 4.556 0.000 0.000 0.348 65 H C 0.327 175.730 175.328 0.124 0.000 1.113 65 H CA -0.783 55.350 56.048 0.143 0.000 1.195 65 H CB 1.486 31.318 29.762 0.118 0.000 1.521 65 H HN 0.065 nan 8.280 nan 0.000 0.509 66 I N 2.613 123.332 120.570 0.249 0.000 2.533 66 I HA 0.059 4.229 4.170 0.000 0.000 0.284 66 I C -0.543 175.434 176.117 -0.233 0.000 1.109 66 I CA 0.639 61.964 61.300 0.042 0.000 1.412 66 I CB -0.057 37.909 38.000 -0.057 0.000 1.396 66 I HN 0.581 nan 8.210 nan 0.000 0.543 67 D N 4.515 124.820 120.400 -0.158 0.000 2.592 67 D HA 0.365 5.005 4.640 0.000 0.000 0.263 67 D C -0.642 175.755 176.300 0.161 0.000 1.132 67 D CA -0.151 53.866 54.000 0.028 0.000 0.996 67 D CB 2.107 42.991 40.800 0.140 0.000 1.442 67 D HN 0.604 nan 8.370 nan 0.000 0.486 68 T N -2.010 112.781 114.554 0.395 0.000 2.726 68 T HA 0.120 4.470 4.350 0.000 0.000 0.294 68 T C 0.586 175.525 174.700 0.400 0.000 1.013 68 T CA -0.302 62.067 62.100 0.448 0.000 0.996 68 T CB 1.265 70.326 68.868 0.321 0.000 1.016 68 T HN 0.529 nan 8.240 nan 0.000 0.529 69 W N 0.026 121.477 121.300 0.252 0.000 3.614 69 W HA 0.284 4.944 4.660 0.000 0.000 0.229 69 W C -0.011 176.651 176.519 0.239 0.000 0.916 69 W CA 0.101 57.590 57.345 0.239 0.000 2.162 69 W CB 0.003 29.652 29.460 0.314 0.000 1.061 69 W HN 0.544 nan 8.180 nan 0.000 0.704 70 E N 2.315 122.912 120.200 0.661 0.000 2.354 70 E HA -0.020 4.330 4.350 0.000 0.000 0.269 70 E C 1.439 178.225 176.600 0.310 0.000 1.036 70 E CA -0.099 56.623 56.400 0.536 0.000 0.876 70 E CB 0.044 30.028 29.700 0.473 0.000 1.009 70 E HN 0.325 nan 8.360 nan 0.000 0.416 71 W N 4.895 126.337 121.300 0.236 0.000 2.292 71 W HA -0.238 4.422 4.660 0.000 0.000 0.304 71 W C 0.563 177.162 176.519 0.133 0.000 1.228 71 W CA 1.472 58.912 57.345 0.158 0.000 1.241 71 W CB -0.800 28.745 29.460 0.142 0.000 1.142 71 W HN 0.416 nan 8.180 nan 0.000 0.520 72 N N 0.655 118.795 118.700 -0.933 0.000 2.321 72 N HA -0.036 4.704 4.740 0.000 0.000 0.242 72 N C 0.535 175.767 175.510 -0.463 0.000 1.141 72 N CA 0.119 52.643 53.050 -0.876 0.000 0.864 72 N CB -0.565 37.058 38.487 -1.440 0.000 1.100 72 N HN -0.026 nan 8.380 nan 0.000 0.510 73 D N 0.860 121.055 120.400 -0.342 0.000 2.123 73 D HA -0.104 4.536 4.640 0.000 0.000 0.196 73 D C 1.836 177.540 176.300 -0.993 0.000 0.992 73 D CA 0.989 54.652 54.000 -0.562 0.000 0.833 73 D CB 0.284 40.780 40.800 -0.507 0.000 0.954 73 D HN 0.110 nan 8.370 nan 0.000 0.455 74 V N 1.047 120.594 119.914 -0.612 0.000 2.332 74 V HA -0.253 3.867 4.120 0.000 0.000 0.248 74 V C 2.524 178.493 176.094 -0.209 0.000 1.055 74 V CA 1.981 64.082 62.300 -0.332 0.000 1.038 74 V CB -1.007 30.772 31.823 -0.073 0.000 0.651 74 V HN 0.206 nan 8.190 nan 0.000 0.450 75 T N 0.510 114.929 114.554 -0.226 0.000 2.708 75 T HA -0.127 4.223 4.350 0.000 0.000 0.266 75 T C 1.873 176.501 174.700 -0.120 0.000 1.037 75 T CA 1.367 63.375 62.100 -0.155 0.000 1.146 75 T CB -0.330 68.427 68.868 -0.184 0.000 0.865 75 T HN 0.175 nan 8.240 nan 0.000 0.435 76 L N 0.151 121.292 121.223 -0.136 0.000 2.093 76 L HA 0.013 4.353 4.340 0.000 0.000 0.208 76 L C 2.233 179.108 176.870 0.008 0.000 1.085 76 L CA 1.365 56.202 54.840 -0.004 0.000 0.755 76 L CB -1.447 40.697 42.059 0.142 0.000 0.904 76 L HN 0.275 nan 8.230 nan 0.000 0.435 77 Y N 0.091 120.285 120.300 -0.177 0.000 2.151 77 Y HA -0.172 4.378 4.550 0.000 0.000 0.284 77 Y C 2.563 178.302 175.900 -0.268 0.000 1.166 77 Y CA 1.005 58.925 58.100 -0.300 0.000 1.163 77 Y CB -1.516 36.759 38.460 -0.308 0.000 0.974 77 Y HN 0.184 nan 8.280 nan 0.000 0.511 78 G N -0.866 107.924 108.800 -0.017 0.000 2.422 78 G HA2 -0.246 3.715 3.960 0.000 0.000 0.218 78 G HA3 -0.246 3.715 3.960 0.000 0.000 0.218 78 G C 1.743 176.595 174.900 -0.079 0.000 1.146 78 G CA 0.938 45.995 45.100 -0.073 0.000 0.769 78 G HN 0.331 nan 8.290 nan 0.000 0.547 79 M N -0.483 119.083 119.600 -0.058 0.000 2.229 79 M HA 0.057 4.537 4.480 0.000 0.000 0.264 79 M C 2.370 178.625 176.300 -0.075 0.000 1.063 79 M CA 0.810 56.074 55.300 -0.060 0.000 1.114 79 M CB -0.174 32.403 32.600 -0.038 0.000 1.387 79 M HN 0.309 nan 8.290 nan 0.000 0.420 80 L N 0.893 122.076 121.223 -0.067 0.000 2.007 80 L HA -0.118 4.222 4.340 0.000 0.000 0.205 80 L C 1.850 178.658 176.870 -0.104 0.000 1.073 80 L CA 1.877 56.672 54.840 -0.075 0.000 0.744 80 L CB -0.883 41.195 42.059 0.031 0.000 0.898 80 L HN 0.226 nan 8.230 nan 0.000 0.435 81 N N -0.665 117.944 118.700 -0.151 0.000 2.430 81 N HA -0.166 4.574 4.740 0.000 0.000 0.186 81 N C 1.618 177.042 175.510 -0.143 0.000 1.032 81 N CA 1.512 54.452 53.050 -0.183 0.000 0.893 81 N CB -0.446 37.873 38.487 -0.281 0.000 0.957 81 N HN 0.487 nan 8.380 nan 0.000 0.442 82 T N 1.839 116.321 114.554 -0.120 0.000 2.746 82 T HA 0.001 4.351 4.350 0.000 0.000 0.267 82 T C 2.056 176.690 174.700 -0.110 0.000 1.039 82 T CA 0.503 62.542 62.100 -0.103 0.000 1.142 82 T CB -0.146 68.672 68.868 -0.083 0.000 0.866 82 T HN 0.207 nan 8.240 nan 0.000 0.444 83 L N 0.659 121.810 121.223 -0.119 0.000 2.270 83 L HA -0.170 4.170 4.340 0.000 0.000 0.217 83 L C 2.422 179.181 176.870 -0.185 0.000 1.107 83 L CA 1.312 56.063 54.840 -0.147 0.000 0.772 83 L CB -0.653 41.316 42.059 -0.150 0.000 0.902 83 L HN 0.257 nan 8.230 nan 0.000 0.439 84 K N 0.067 120.372 120.400 -0.159 0.000 2.362 84 K HA -0.091 4.230 4.320 0.000 0.000 0.200 84 K C 1.567 178.080 176.600 -0.145 0.000 1.046 84 K CA 0.846 57.037 56.287 -0.161 0.000 0.952 84 K CB -0.216 32.204 32.500 -0.134 0.000 0.753 84 K HN 0.539 nan 8.250 nan 0.000 0.466 85 N N 0.756 119.382 118.700 -0.124 0.000 2.022 85 N HA -0.112 4.628 4.740 0.000 0.000 0.194 85 N C 1.215 176.676 175.510 -0.080 0.000 1.057 85 N CA 0.705 53.700 53.050 -0.090 0.000 0.849 85 N CB 0.001 38.445 38.487 -0.071 0.000 1.044 85 N HN -0.033 nan 8.380 nan 0.000 0.424 86 R N 1.184 121.636 120.500 -0.080 0.000 2.343 86 R HA 0.106 4.446 4.340 0.000 0.000 0.202 86 R C -0.296 175.961 176.300 -0.072 0.000 1.023 86 R CA 0.263 56.348 56.100 -0.024 0.000 1.084 86 R CB -1.615 28.712 30.300 0.044 0.000 0.956 86 R HN 0.305 nan 8.270 nan 0.000 0.478 87 N N -0.489 118.094 118.700 -0.195 0.000 2.875 87 N HA 0.164 4.904 4.740 0.000 0.000 0.253 87 N C -2.822 172.574 175.510 -0.191 0.000 1.296 87 N CA -1.337 51.548 53.050 -0.274 0.000 0.816 87 N CB 1.446 39.461 38.487 -0.787 0.000 1.504 87 N HN -0.244 nan 8.380 nan 0.000 0.582 88 P HA 0.312 nan 4.420 nan 0.000 0.255 88 P C -0.304 176.948 177.300 -0.081 0.000 1.427 88 P CA 0.398 63.447 63.100 -0.085 0.000 0.863 88 P CB -0.204 31.465 31.700 -0.052 0.000 1.444 89 N N -1.399 117.241 118.700 -0.100 0.000 2.159 89 N HA 0.085 4.825 4.740 0.000 0.000 0.217 89 N C -0.119 175.309 175.510 -0.138 0.000 1.223 89 N CA -0.413 52.583 53.050 -0.089 0.000 0.896 89 N CB 0.370 38.829 38.487 -0.046 0.000 1.064 89 N HN 0.049 nan 8.380 nan 0.000 0.518 90 L N 2.423 123.546 121.223 -0.167 0.000 2.410 90 L HA 0.211 4.551 4.340 0.000 0.000 0.273 90 L C -0.409 176.350 176.870 -0.185 0.000 1.152 90 L CA 0.231 54.957 54.840 -0.190 0.000 0.855 90 L CB 0.343 42.281 42.059 -0.201 0.000 1.129 90 L HN -0.126 nan 8.230 nan 0.000 0.463 91 K N 3.385 123.634 120.400 -0.251 0.000 2.203 91 K HA 0.622 4.942 4.320 0.000 0.000 0.251 91 K C -0.504 176.063 176.600 -0.055 0.000 0.944 91 K CA -0.578 55.595 56.287 -0.189 0.000 0.829 91 K CB 1.823 34.109 32.500 -0.357 0.000 1.125 91 K HN 0.766 nan 8.250 nan 0.000 0.430 92 T N -0.736 113.858 114.554 0.066 0.000 2.924 92 T HA 0.765 5.115 4.350 0.000 0.000 0.291 92 T C -0.502 174.363 174.700 0.275 0.000 1.045 92 T CA -0.863 61.350 62.100 0.189 0.000 1.015 92 T CB 1.101 70.118 68.868 0.249 0.000 1.103 92 T HN 0.274 nan 8.240 nan 0.000 0.496 93 L N 0.856 122.213 121.223 0.223 0.000 2.415 93 L HA 0.678 5.018 4.340 0.000 0.000 0.256 93 L C -1.322 175.408 176.870 -0.233 0.000 1.010 93 L CA -0.951 53.927 54.840 0.064 0.000 0.826 93 L CB 2.151 44.289 42.059 0.132 0.000 1.405 93 L HN 0.690 nan 8.230 nan 0.000 0.410 94 L N 0.988 121.942 121.223 -0.447 0.000 2.276 94 L HA 0.582 4.923 4.340 0.000 0.000 0.286 94 L C -0.066 176.801 176.870 -0.004 0.000 1.024 94 L CA 0.206 54.748 54.840 -0.497 0.000 0.826 94 L CB 1.317 42.897 42.059 -0.798 0.000 1.211 94 L HN 0.573 nan 8.230 nan 0.000 0.422 95 S N 4.078 119.892 115.700 0.190 0.000 2.474 95 S HA 0.474 4.944 4.470 0.000 0.000 0.276 95 S C -0.631 174.312 174.600 0.571 0.000 1.227 95 S CA -0.413 58.043 58.200 0.427 0.000 1.050 95 S CB 0.627 64.148 63.200 0.535 0.000 0.939 95 S HN 0.571 nan 8.310 nan 0.000 0.490 96 V N 6.307 126.530 119.914 0.515 0.000 2.417 96 V HA 0.837 4.957 4.120 0.000 0.000 0.291 96 V C 0.675 177.003 176.094 0.391 0.000 1.024 96 V CA 1.098 63.669 62.300 0.450 0.000 0.861 96 V CB 0.553 32.585 31.823 0.350 0.000 0.985 96 V HN 1.243 nan 8.190 nan 0.000 0.436 97 G N 4.402 113.316 108.800 0.191 0.000 2.130 97 G HA2 0.498 4.459 3.960 0.000 0.000 0.151 97 G HA3 0.498 4.459 3.960 0.000 0.000 0.151 97 G C 0.535 175.176 174.900 -0.433 0.000 1.173 97 G CA 0.178 45.222 45.100 -0.094 0.000 1.278 97 G HN 2.489 nan 8.290 nan 0.000 0.479 98 G N -1.687 106.632 108.800 -0.800 0.000 2.675 98 G HA2 0.078 4.038 3.960 0.000 0.000 0.686 98 G HA3 0.078 4.038 3.960 0.000 0.000 0.686 98 G C 0.673 175.326 174.900 -0.410 0.000 1.215 98 G CA 0.477 44.751 45.100 -1.378 0.000 0.777 98 G HN 1.809 nan 8.290 nan 0.000 0.638 99 W N 1.249 122.293 121.300 -0.427 0.000 2.321 99 W HA -0.141 4.519 4.660 0.000 0.000 0.306 99 W C 1.612 178.039 176.519 -0.153 0.000 1.217 99 W CA 1.811 58.992 57.345 -0.273 0.000 1.257 99 W CB 0.048 29.356 29.460 -0.254 0.000 1.145 99 W HN 0.562 nan 8.180 nan 0.000 0.509 100 N N 0.358 118.947 118.700 -0.185 0.000 2.515 100 N HA -0.066 4.674 4.740 0.000 0.000 0.191 100 N C 0.968 176.500 175.510 0.037 0.000 1.182 100 N CA 0.609 53.573 53.050 -0.144 0.000 0.879 100 N CB -0.814 37.641 38.487 -0.054 0.000 0.984 100 N HN 0.159 nan 8.380 nan 0.000 0.453 101 F N 0.674 120.547 119.950 -0.128 0.000 2.123 101 F HA 0.308 4.835 4.527 0.000 0.000 0.289 101 F C 1.007 176.746 175.800 -0.101 0.000 1.099 101 F CA 1.038 59.048 58.000 0.017 0.000 1.234 101 F CB 0.032 39.042 39.000 0.017 0.000 1.034 101 F HN 0.009 nan 8.300 nan 0.000 0.479 102 G N -0.008 108.985 108.800 0.323 0.000 2.486 102 G HA2 0.049 4.009 3.960 0.000 0.000 0.220 102 G HA3 0.049 4.009 3.960 0.000 0.000 0.220 102 G C 0.441 175.432 174.900 0.151 0.000 1.313 102 G CA 0.060 45.243 45.100 0.138 0.000 1.187 102 G HN 0.589 nan 8.290 nan 0.000 0.599 103 S N 1.068 116.781 115.700 0.021 0.000 2.420 103 S HA -0.221 4.249 4.470 0.000 0.000 0.237 103 S C 1.942 176.643 174.600 0.168 0.000 1.023 103 S CA 2.419 60.709 58.200 0.151 0.000 0.991 103 S CB -0.105 63.148 63.200 0.088 0.000 0.792 103 S HN 0.742 nan 8.310 nan 0.000 0.488 104 Q N 0.093 119.940 119.800 0.079 0.000 2.089 104 Q HA 0.141 4.481 4.340 0.000 0.000 0.195 104 Q C 2.626 178.647 176.000 0.034 0.000 0.963 104 Q CA 0.828 56.666 55.803 0.058 0.000 0.834 104 Q CB -0.174 28.573 28.738 0.015 0.000 0.906 104 Q HN 0.515 nan 8.270 nan 0.000 0.452 105 R N -0.073 120.456 120.500 0.048 0.000 2.091 105 R HA -0.152 4.188 4.340 0.000 0.000 0.238 105 R C 2.015 178.339 176.300 0.040 0.000 1.136 105 R CA 1.381 57.504 56.100 0.039 0.000 0.959 105 R CB -0.209 30.102 30.300 0.017 0.000 0.856 105 R HN 0.154 nan 8.270 nan 0.000 0.437 106 F N 0.386 120.233 119.950 -0.173 0.000 2.234 106 F HA -0.128 4.399 4.527 0.000 0.000 0.299 106 F C 2.565 177.831 175.800 -0.891 0.000 1.087 106 F CA 1.233 58.791 58.000 -0.736 0.000 1.340 106 F CB -0.476 37.697 39.000 -1.378 0.000 1.031 106 F HN -0.069 nan 8.300 nan 0.000 0.500 107 S N -0.325 115.204 115.700 -0.285 0.000 2.355 107 S HA -0.205 4.265 4.470 0.000 0.000 0.222 107 S C 2.253 176.831 174.600 -0.036 0.000 1.031 107 S CA 1.215 59.389 58.200 -0.044 0.000 0.993 107 S CB -0.382 62.958 63.200 0.233 0.000 0.859 107 S HN 0.380 nan 8.310 nan 0.000 0.453 108 K N 0.339 120.713 120.400 -0.043 0.000 2.360 108 K HA 0.021 4.341 4.320 0.000 0.000 0.201 108 K C 1.596 178.145 176.600 -0.084 0.000 1.046 108 K CA 1.063 57.320 56.287 -0.049 0.000 0.945 108 K CB -0.139 32.335 32.500 -0.043 0.000 0.750 108 K HN 0.474 nan 8.250 nan 0.000 0.464 109 I N -0.282 120.210 120.570 -0.129 0.000 3.427 109 I HA -0.037 4.133 4.170 0.000 0.000 0.288 109 I C 1.964 178.022 176.117 -0.098 0.000 1.249 109 I CA 0.331 61.542 61.300 -0.148 0.000 1.421 109 I CB 0.225 38.052 38.000 -0.290 0.000 1.086 109 I HN 0.104 nan 8.210 nan 0.000 0.448 110 A N -0.038 122.726 122.820 -0.092 0.000 2.044 110 A HA 0.025 4.345 4.320 0.000 0.000 0.213 110 A C 2.329 179.831 177.584 -0.136 0.000 1.169 110 A CA 0.734 52.770 52.037 -0.001 0.000 0.724 110 A CB -0.151 18.939 19.000 0.150 0.000 0.840 110 A HN 0.268 nan 8.150 nan 0.000 0.463 111 S N 0.722 116.280 115.700 -0.236 0.000 2.377 111 S HA -0.041 4.429 4.470 0.000 0.000 0.223 111 S C 1.059 175.527 174.600 -0.219 0.000 1.030 111 S CA 0.128 58.053 58.200 -0.457 0.000 0.970 111 S CB -0.342 62.717 63.200 -0.235 0.000 0.830 111 S HN 0.641 nan 8.310 nan 0.000 0.473 112 N N 2.021 120.655 118.700 -0.110 0.000 2.452 112 N HA 0.082 4.823 4.740 0.000 0.000 0.266 112 N C 0.610 176.098 175.510 -0.036 0.000 1.175 112 N CA 0.414 53.431 53.050 -0.054 0.000 0.945 112 N CB 1.029 39.494 38.487 -0.037 0.000 1.063 112 N HN 0.037 nan 8.380 nan 0.000 0.472 113 T N 3.623 118.167 114.554 -0.017 0.000 2.788 113 T HA -0.147 4.203 4.350 0.000 0.000 0.268 113 T C 1.536 176.241 174.700 0.009 0.000 1.044 113 T CA 1.466 63.566 62.100 0.001 0.000 1.139 113 T CB 0.108 68.983 68.868 0.012 0.000 0.867 113 T HN 0.599 nan 8.240 nan 0.000 0.454 114 Q N 0.630 120.435 119.800 0.007 0.000 2.079 114 Q HA 0.005 4.345 4.340 0.000 0.000 0.200 114 Q C 2.732 178.741 176.000 0.014 0.000 0.974 114 Q CA 1.376 57.187 55.803 0.012 0.000 0.840 114 Q CB -0.186 28.560 28.738 0.013 0.000 0.898 114 Q HN 0.317 nan 8.270 nan 0.000 0.430 115 S N 0.344 116.048 115.700 0.006 0.000 2.382 115 S HA -0.173 4.297 4.470 0.000 0.000 0.228 115 S C 1.796 176.418 174.600 0.037 0.000 1.027 115 S CA 1.182 59.385 58.200 0.004 0.000 0.991 115 S CB -0.182 63.002 63.200 -0.027 0.000 0.823 115 S HN 0.283 nan 8.310 nan 0.000 0.469 116 R N 1.001 121.528 120.500 0.046 0.000 2.073 116 R HA -0.097 4.243 4.340 0.000 0.000 0.234 116 R C 2.470 178.831 176.300 0.103 0.000 1.134 116 R CA 1.468 57.632 56.100 0.106 0.000 0.952 116 R CB -0.144 30.198 30.300 0.071 0.000 0.850 116 R HN 0.108 nan 8.270 nan 0.000 0.433 117 R N 0.193 120.721 120.500 0.047 0.000 2.073 117 R HA -0.069 4.271 4.340 0.000 0.000 0.234 117 R C 1.942 178.244 176.300 0.004 0.000 1.134 117 R CA 2.477 58.589 56.100 0.020 0.000 0.952 117 R CB -1.004 29.304 30.300 0.013 0.000 0.850 117 R HN 0.217 nan 8.270 nan 0.000 0.433 118 T N 1.120 115.672 114.554 -0.003 0.000 2.597 118 T HA -0.206 4.144 4.350 0.000 0.000 0.267 118 T C 1.424 176.050 174.700 -0.124 0.000 1.053 118 T CA 1.798 63.845 62.100 -0.089 0.000 1.165 118 T CB -0.629 68.183 68.868 -0.093 0.000 0.863 118 T HN 0.283 nan 8.240 nan 0.000 0.427 119 F N 1.835 121.671 119.950 -0.190 0.000 2.025 119 F HA -0.126 4.401 4.527 0.000 0.000 0.297 119 F C 2.131 177.889 175.800 -0.070 0.000 1.132 119 F CA 0.993 58.905 58.000 -0.147 0.000 1.191 119 F CB -0.922 38.023 39.000 -0.092 0.000 0.963 119 F HN 0.127 nan 8.300 nan 0.000 0.481 120 I N 0.411 120.864 120.570 -0.195 0.000 2.145 120 I HA -0.401 3.769 4.170 0.000 0.000 0.244 120 I C 2.598 178.627 176.117 -0.148 0.000 1.075 120 I CA 2.143 63.277 61.300 -0.277 0.000 1.332 120 I CB -0.726 37.201 38.000 -0.122 0.000 1.033 120 I HN 0.198 nan 8.210 nan 0.000 0.410 121 K N 1.102 121.455 120.400 -0.079 0.000 2.103 121 K HA -0.213 4.107 4.320 0.000 0.000 0.207 121 K C 2.198 178.788 176.600 -0.017 0.000 1.048 121 K CA 1.935 58.203 56.287 -0.031 0.000 0.930 121 K CB -0.106 32.383 32.500 -0.018 0.000 0.716 121 K HN 0.414 nan 8.250 nan 0.000 0.444 122 S N -0.494 115.172 115.700 -0.057 0.000 2.515 122 S HA -0.040 4.430 4.470 0.000 0.000 0.231 122 S C 1.805 176.453 174.600 0.079 0.000 0.987 122 S CA 0.779 59.002 58.200 0.038 0.000 0.936 122 S CB -0.028 63.184 63.200 0.019 0.000 0.766 122 S HN 0.120 nan 8.310 nan 0.000 0.528 123 V N 2.740 122.640 119.914 -0.024 0.000 2.283 123 V HA 0.013 4.133 4.120 0.000 0.000 0.243 123 V C -0.310 175.810 176.094 0.043 0.000 1.039 123 V CA 1.408 63.714 62.300 0.010 0.000 1.016 123 V CB -1.674 30.117 31.823 -0.053 0.000 0.650 123 V HN 0.352 nan 8.190 nan 0.000 0.449 124 P HA -0.127 nan 4.420 nan 0.000 0.214 124 P C -1.291 176.005 177.300 -0.006 0.000 1.163 124 P CA 2.125 65.169 63.100 -0.093 0.000 0.889 124 P CB -1.354 30.307 31.700 -0.065 0.000 0.790 125 P HA -0.229 nan 4.420 nan 0.000 0.213 125 P C 1.623 178.980 177.300 0.095 0.000 1.170 125 P CA 1.457 64.590 63.100 0.054 0.000 0.902 125 P CB -0.614 31.134 31.700 0.080 0.000 0.789 126 F N 0.450 120.440 119.950 0.068 0.000 2.154 126 F HA -0.195 4.333 4.527 0.000 0.000 0.301 126 F C 2.349 178.253 175.800 0.173 0.000 1.087 126 F CA 1.426 59.529 58.000 0.171 0.000 1.274 126 F CB -0.896 38.231 39.000 0.212 0.000 1.009 126 F HN -0.256 nan 8.300 nan 0.000 0.485 127 L N -0.687 120.726 121.223 0.317 0.000 2.044 127 L HA -0.171 4.169 4.340 0.000 0.000 0.205 127 L C 2.697 179.622 176.870 0.092 0.000 1.075 127 L CA 0.993 55.972 54.840 0.232 0.000 0.747 127 L CB -0.644 41.441 42.059 0.043 0.000 0.903 127 L HN -0.005 nan 8.230 nan 0.000 0.435 128 R N -0.414 120.079 120.500 -0.011 0.000 2.075 128 R HA -0.076 4.264 4.340 0.000 0.000 0.232 128 R C 2.211 178.435 176.300 -0.128 0.000 1.126 128 R CA 1.424 57.482 56.100 -0.069 0.000 0.963 128 R CB -1.231 29.025 30.300 -0.074 0.000 0.858 128 R HN 0.304 nan 8.270 nan 0.000 0.435 129 T N 1.007 115.453 114.554 -0.179 0.000 2.607 129 T HA -0.139 4.212 4.350 0.000 0.000 0.267 129 T C 1.488 175.909 174.700 -0.466 0.000 1.049 129 T CA 1.363 63.251 62.100 -0.355 0.000 1.162 129 T CB -0.267 68.290 68.868 -0.519 0.000 0.863 129 T HN 0.365 nan 8.240 nan 0.000 0.424 130 H N 0.093 119.019 119.070 -0.239 0.000 2.556 130 H HA 0.254 4.810 4.556 0.000 0.000 0.268 130 H C 1.726 176.785 175.328 -0.448 0.000 0.996 130 H CA 0.738 56.607 56.048 -0.298 0.000 1.157 130 H CB -0.249 29.317 29.762 -0.326 0.000 1.355 130 H HN 0.598 nan 8.280 nan 0.000 0.597 131 G N 0.524 109.158 108.800 -0.277 0.000 2.165 131 G HA2 -0.237 3.723 3.960 0.000 0.000 0.226 131 G HA3 -0.237 3.723 3.960 0.000 0.000 0.226 131 G C -0.402 174.256 174.900 -0.403 0.000 1.035 131 G CA -0.357 44.545 45.100 -0.330 0.000 0.744 131 G HN 0.156 nan 8.290 nan 0.000 0.501 132 F N 0.186 120.082 119.950 -0.091 0.000 2.432 132 F HA 0.515 5.042 4.527 0.000 0.000 0.329 132 F C 1.261 177.021 175.800 -0.068 0.000 1.076 132 F CA -0.993 56.959 58.000 -0.079 0.000 1.018 132 F CB 1.131 40.086 39.000 -0.074 0.000 1.201 132 F HN -0.040 nan 8.300 nan 0.000 0.489 133 D N 0.608 121.129 120.400 0.203 0.000 2.333 133 D HA 0.233 4.873 4.640 0.000 0.000 0.208 133 D C 0.837 177.181 176.300 0.072 0.000 0.984 133 D CA 0.727 54.783 54.000 0.093 0.000 0.873 133 D CB 0.677 41.525 40.800 0.081 0.000 0.935 133 D HN 0.651 nan 8.370 nan 0.000 0.521 134 G N 0.015 108.872 108.800 0.095 0.000 2.342 134 G HA2 0.377 4.337 3.960 0.000 0.000 0.297 134 G HA3 0.377 4.337 3.960 0.000 0.000 0.297 134 G C -2.213 172.737 174.900 0.083 0.000 1.313 134 G CA -0.726 44.411 45.100 0.060 0.000 0.830 134 G HN 0.040 nan 8.290 nan 0.000 0.506 135 L N 0.018 121.361 121.223 0.200 0.000 2.322 135 L HA 0.897 5.237 4.340 0.000 0.000 0.269 135 L C -1.202 175.768 176.870 0.166 0.000 1.012 135 L CA -0.722 54.230 54.840 0.187 0.000 0.815 135 L CB 2.142 44.378 42.059 0.296 0.000 1.295 135 L HN 0.656 nan 8.230 nan 0.000 0.438 136 D N 2.445 122.961 120.400 0.194 0.000 2.620 136 D HA 0.354 4.995 4.640 0.000 0.000 0.252 136 D C -1.435 175.067 176.300 0.337 0.000 1.207 136 D CA -0.165 53.977 54.000 0.236 0.000 0.884 136 D CB 0.957 41.931 40.800 0.291 0.000 1.262 136 D HN 0.497 nan 8.370 nan 0.000 0.552 137 L N 3.067 124.479 121.223 0.315 0.000 2.283 137 L HA 0.588 4.928 4.340 0.000 0.000 0.287 137 L C 0.269 177.391 176.870 0.420 0.000 1.073 137 L CA -0.628 54.451 54.840 0.399 0.000 0.822 137 L CB 1.289 43.558 42.059 0.350 0.000 1.186 137 L HN 0.594 nan 8.230 nan 0.000 0.436 138 A N 4.619 127.706 122.820 0.443 0.000 3.150 138 A HA 0.159 4.479 4.320 0.000 0.000 0.328 138 A C -0.800 176.912 177.584 0.214 0.000 1.104 138 A CA -0.455 51.791 52.037 0.349 0.000 0.937 138 A CB -0.113 19.141 19.000 0.422 0.000 1.073 138 A HN 0.719 nan 8.150 nan 0.000 0.497 139 W N 3.719 124.936 121.300 -0.138 0.000 2.433 139 W HA 0.504 5.164 4.660 0.000 0.000 0.331 139 W C -1.434 174.929 176.519 -0.259 0.000 1.110 139 W CA -1.085 55.943 57.345 -0.528 0.000 1.450 139 W CB 0.191 29.075 29.460 -0.960 0.000 1.348 139 W HN 0.360 nan 8.180 nan 0.000 0.415 140 L N 8.905 130.181 121.223 0.088 0.000 2.313 140 L HA 0.324 4.664 4.340 0.000 0.000 0.273 140 L C -1.084 175.574 176.870 -0.354 0.000 1.028 140 L CA -0.684 53.950 54.840 -0.344 0.000 0.871 140 L CB -0.119 41.654 42.059 -0.476 0.000 1.242 140 L HN 0.193 nan 8.230 nan 0.000 0.434 141 Y N 1.718 122.041 120.300 0.039 0.000 2.609 141 Y HA 0.536 5.086 4.550 0.000 0.000 0.342 141 Y C -2.398 173.198 175.900 -0.507 0.000 1.058 141 Y CA -2.985 54.974 58.100 -0.235 0.000 1.055 141 Y CB 1.393 39.703 38.460 -0.250 0.000 1.292 141 Y HN 0.316 nan 8.280 nan 0.000 0.476 142 P HA 0.145 nan 4.420 nan 0.000 0.268 142 P C 0.164 177.181 177.300 -0.473 0.000 1.205 142 P CA 0.128 62.558 63.100 -1.117 0.000 0.771 142 P CB 0.662 31.380 31.700 -1.636 0.000 0.858 143 G N 2.159 110.839 108.800 -0.199 0.000 2.570 143 G HA2 0.007 3.967 3.960 0.000 0.000 0.276 143 G HA3 0.007 3.967 3.960 0.000 0.000 0.276 143 G C 0.918 175.714 174.900 -0.174 0.000 1.346 143 G CA -0.402 44.624 45.100 -0.123 0.000 1.034 143 G HN 0.391 nan 8.290 nan 0.000 0.512 144 R N -0.543 119.885 120.500 -0.120 0.000 2.148 144 R HA -0.074 4.266 4.340 0.000 0.000 0.227 144 R C 2.568 178.803 176.300 -0.108 0.000 1.103 144 R CA 1.412 57.439 56.100 -0.122 0.000 0.983 144 R CB -0.047 30.203 30.300 -0.084 0.000 0.874 144 R HN 0.630 nan 8.270 nan 0.000 0.451 145 R N -0.679 119.777 120.500 -0.073 0.000 2.300 145 R HA 0.088 4.428 4.340 0.000 0.000 0.199 145 R C 0.460 176.721 176.300 -0.065 0.000 0.920 145 R CA 0.714 56.779 56.100 -0.057 0.000 1.046 145 R CB 0.218 30.518 30.300 -0.001 0.000 0.984 145 R HN 0.008 nan 8.270 nan 0.000 0.493 146 D N 1.162 121.526 120.400 -0.060 0.000 2.369 146 D HA -0.006 4.634 4.640 0.000 0.000 0.211 146 D C 0.963 177.196 176.300 -0.112 0.000 1.077 146 D CA 0.103 54.105 54.000 0.003 0.000 0.842 146 D CB 0.406 41.224 40.800 0.030 0.000 0.947 146 D HN 0.296 nan 8.370 nan 0.000 0.509 147 K N 1.150 121.451 120.400 -0.166 0.000 2.034 147 K HA -0.260 4.060 4.320 0.000 0.000 0.214 147 K C 1.629 178.230 176.600 0.002 0.000 1.051 147 K CA 1.594 57.809 56.287 -0.120 0.000 0.931 147 K CB 0.269 32.698 32.500 -0.119 0.000 0.715 147 K HN -0.076 nan 8.250 nan 0.000 0.446 148 Q N -0.723 119.045 119.800 -0.054 0.000 2.172 148 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 148 Q C 1.833 177.890 176.000 0.094 0.000 0.964 148 Q CA 1.701 57.498 55.803 -0.010 0.000 0.855 148 Q CB -0.225 28.468 28.738 -0.076 0.000 0.918 148 Q HN 0.587 nan 8.270 nan 0.000 0.444 149 H N -1.224 117.918 119.070 0.119 0.000 2.387 149 H HA -0.127 4.429 4.556 0.000 0.000 0.299 149 H C 1.456 176.930 175.328 0.245 0.000 1.090 149 H CA 0.966 57.122 56.048 0.180 0.000 1.332 149 H CB -0.015 29.893 29.762 0.243 0.000 1.386 149 H HN 0.212 nan 8.280 nan 0.000 0.516 150 F N 1.423 121.466 119.950 0.154 0.000 2.134 150 F HA -0.206 4.322 4.527 0.000 0.000 0.299 150 F C 2.232 178.089 175.800 0.095 0.000 1.097 150 F CA 1.519 59.557 58.000 0.062 0.000 1.264 150 F CB -0.519 38.344 39.000 -0.228 0.000 1.001 150 F HN -0.047 nan 8.300 nan 0.000 0.479 151 T N -0.613 113.993 114.554 0.087 0.000 2.708 151 T HA -0.172 4.178 4.350 0.000 0.000 0.266 151 T C 1.896 176.580 174.700 -0.027 0.000 1.037 151 T CA 2.072 64.168 62.100 -0.008 0.000 1.146 151 T CB -0.737 68.174 68.868 0.071 0.000 0.865 151 T HN 0.280 nan 8.240 nan 0.000 0.435 152 T N 2.718 117.298 114.554 0.044 0.000 2.684 152 T HA -0.077 4.273 4.350 0.000 0.000 0.267 152 T C 1.893 176.587 174.700 -0.010 0.000 1.036 152 T CA 1.012 63.131 62.100 0.032 0.000 1.148 152 T CB -0.528 68.403 68.868 0.106 0.000 0.863 152 T HN 0.136 nan 8.240 nan 0.000 0.436 153 L N 0.996 122.241 121.223 0.037 0.000 2.079 153 L HA 0.044 4.384 4.340 0.000 0.000 0.210 153 L C 2.039 178.856 176.870 -0.090 0.000 1.081 153 L CA 1.525 56.391 54.840 0.043 0.000 0.752 153 L CB -0.730 41.447 42.059 0.197 0.000 0.896 153 L HN 0.300 nan 8.230 nan 0.000 0.433 154 I N -0.933 119.511 120.570 -0.210 0.000 2.406 154 I HA -0.219 3.951 4.170 0.000 0.000 0.249 154 I C 2.506 178.455 176.117 -0.279 0.000 1.122 154 I CA 0.901 62.037 61.300 -0.273 0.000 1.431 154 I CB -0.298 37.483 38.000 -0.365 0.000 1.087 154 I HN 0.286 nan 8.210 nan 0.000 0.424 155 K N 1.372 121.601 120.400 -0.285 0.000 1.985 155 K HA -0.210 4.110 4.320 0.000 0.000 0.210 155 K C 1.949 178.325 176.600 -0.374 0.000 1.047 155 K CA 1.749 57.740 56.287 -0.493 0.000 0.932 155 K CB -0.021 32.281 32.500 -0.330 0.000 0.716 155 K HN 0.288 nan 8.250 nan 0.000 0.439 156 E N 0.076 120.139 120.200 -0.228 0.000 2.153 156 E HA -0.219 4.131 4.350 0.000 0.000 0.194 156 E C 1.920 178.393 176.600 -0.211 0.000 0.988 156 E CA 1.206 57.503 56.400 -0.172 0.000 0.811 156 E CB -0.092 29.552 29.700 -0.093 0.000 0.746 156 E HN 0.291 nan 8.360 nan 0.000 0.466 157 M N 1.011 120.440 119.600 -0.285 0.000 2.254 157 M HA -0.082 4.398 4.480 0.000 0.000 0.265 157 M C 1.951 177.839 176.300 -0.687 0.000 1.066 157 M CA 1.378 56.406 55.300 -0.453 0.000 1.123 157 M CB 0.240 32.548 32.600 -0.488 0.000 1.388 157 M HN -0.223 nan 8.290 nan 0.000 0.425 158 K N 0.214 120.312 120.400 -0.504 0.000 2.167 158 K HA 0.176 4.496 4.320 0.000 0.000 0.203 158 K C 1.746 178.219 176.600 -0.211 0.000 1.052 158 K CA 1.449 57.496 56.287 -0.399 0.000 0.956 158 K CB -0.547 31.797 32.500 -0.260 0.000 0.735 158 K HN 0.342 nan 8.250 nan 0.000 0.451 159 A N 0.340 123.039 122.820 -0.200 0.000 1.972 159 A HA -0.157 4.163 4.320 0.000 0.000 0.219 159 A C 2.077 179.639 177.584 -0.037 0.000 1.169 159 A CA 1.924 53.898 52.037 -0.104 0.000 0.635 159 A CB -0.499 18.433 19.000 -0.114 0.000 0.810 159 A HN 0.470 nan 8.150 nan 0.000 0.446 160 E N -0.755 119.422 120.200 -0.038 0.000 2.051 160 E HA -0.063 4.287 4.350 0.000 0.000 0.189 160 E C 1.456 178.199 176.600 0.238 0.000 0.979 160 E CA 0.938 57.386 56.400 0.080 0.000 0.803 160 E CB -0.390 29.367 29.700 0.095 0.000 0.761 160 E HN 0.443 nan 8.360 nan 0.000 0.451 161 F N 0.575 120.499 119.950 -0.043 0.000 2.287 161 F HA -0.104 4.423 4.527 0.000 0.000 0.301 161 F C 1.963 177.755 175.800 -0.014 0.000 1.069 161 F CA 0.693 58.677 58.000 -0.026 0.000 1.372 161 F CB -0.589 38.396 39.000 -0.025 0.000 1.056 161 F HN 0.144 nan 8.300 nan 0.000 0.523 162 I N -0.378 120.293 120.570 0.169 0.000 2.296 162 I HA -0.226 3.944 4.170 0.000 0.000 0.242 162 I C 2.536 178.692 176.117 0.065 0.000 1.087 162 I CA 0.921 62.276 61.300 0.091 0.000 1.393 162 I CB -0.392 37.639 38.000 0.051 0.000 1.093 162 I HN -0.041 nan 8.210 nan 0.000 0.421 163 K N 1.118 121.553 120.400 0.058 0.000 2.032 163 K HA -0.277 4.043 4.320 0.000 0.000 0.209 163 K C 2.182 178.805 176.600 0.038 0.000 1.048 163 K CA 1.790 58.101 56.287 0.040 0.000 0.927 163 K CB -0.206 32.315 32.500 0.034 0.000 0.712 163 K HN 0.142 nan 8.250 nan 0.000 0.441 164 E N 0.194 120.424 120.200 0.050 0.000 2.204 164 E HA -0.162 4.188 4.350 0.000 0.000 0.195 164 E C 1.489 178.096 176.600 0.012 0.000 0.990 164 E CA 1.278 57.693 56.400 0.025 0.000 0.821 164 E CB 0.013 29.721 29.700 0.013 0.000 0.750 164 E HN 0.484 nan 8.360 nan 0.000 0.477 165 A N 0.326 123.161 122.820 0.025 0.000 2.147 165 A HA -0.026 4.294 4.320 0.000 0.000 0.211 165 A C 1.921 179.514 177.584 0.016 0.000 1.160 165 A CA 0.093 52.140 52.037 0.016 0.000 0.781 165 A CB -0.026 18.991 19.000 0.027 0.000 0.842 165 A HN 0.091 nan 8.150 nan 0.000 0.475 166 Q N 0.327 120.140 119.800 0.021 0.000 2.118 166 Q HA -0.205 4.136 4.340 0.000 0.000 0.211 166 Q C -0.275 175.731 176.000 0.011 0.000 0.998 166 Q CA 2.360 58.174 55.803 0.017 0.000 0.872 166 Q CB -2.166 26.583 28.738 0.018 0.000 0.925 166 Q HN 0.486 nan 8.270 nan 0.000 0.414 167 P HA -0.132 nan 4.420 nan 0.000 0.217 167 P C 0.562 177.863 177.300 0.002 0.000 1.148 167 P CA 2.278 65.380 63.100 0.004 0.000 0.834 167 P CB -0.108 31.593 31.700 0.000 0.000 0.783 168 G N -3.645 105.157 108.800 0.003 0.000 3.288 168 G HA2 -0.102 3.858 3.960 0.000 0.000 0.219 168 G HA3 -0.102 3.858 3.960 0.000 0.000 0.219 168 G C 0.093 174.992 174.900 -0.001 0.000 0.944 168 G CA -0.548 44.553 45.100 0.002 0.000 0.854 168 G HN 0.209 nan 8.290 nan 0.000 0.632 169 K N 0.595 120.993 120.400 -0.003 0.000 2.286 169 K HA 0.266 4.586 4.320 0.000 0.000 0.256 169 K C 0.357 176.956 176.600 -0.003 0.000 0.999 169 K CA 0.023 56.304 56.287 -0.009 0.000 0.908 169 K CB 0.590 33.080 32.500 -0.017 0.000 0.981 169 K HN 0.085 nan 8.250 nan 0.000 0.500 170 K N 2.705 123.101 120.400 -0.007 0.000 2.292 170 K HA -0.024 4.296 4.320 0.000 0.000 0.290 170 K C -0.464 176.137 176.600 0.003 0.000 1.083 170 K CA -0.082 56.206 56.287 0.001 0.000 0.918 170 K CB 0.544 33.042 32.500 -0.003 0.000 1.089 170 K HN 0.356 nan 8.250 nan 0.000 0.473 171 Q N 3.555 123.369 119.800 0.022 0.000 2.549 171 Q HA -0.126 4.214 4.340 0.000 0.000 0.347 171 Q C -0.582 175.437 176.000 0.032 0.000 1.081 171 Q CA 0.527 56.354 55.803 0.040 0.000 1.093 171 Q CB 0.390 29.173 28.738 0.075 0.000 1.067 171 Q HN 0.575 nan 8.270 nan 0.000 0.398 172 L N 4.861 126.065 121.223 -0.032 0.000 2.456 172 L HA 0.086 4.426 4.340 0.000 0.000 0.272 172 L C 0.016 176.967 176.870 0.135 0.000 1.189 172 L CA -0.141 54.619 54.840 -0.134 0.000 0.846 172 L CB 0.270 41.895 42.059 -0.723 0.000 1.111 172 L HN 0.619 nan 8.230 nan 0.000 0.475 173 L N 3.955 125.266 121.223 0.147 0.000 2.375 173 L HA 0.352 4.692 4.340 0.000 0.000 0.271 173 L C -0.406 176.634 176.870 0.284 0.000 1.107 173 L CA -0.490 54.478 54.840 0.214 0.000 0.806 173 L CB 1.366 43.545 42.059 0.201 0.000 1.146 173 L HN 0.377 nan 8.230 nan 0.000 0.447 174 L N 3.111 124.415 121.223 0.134 0.000 2.376 174 L HA 0.595 4.935 4.340 0.000 0.000 0.275 174 L C -0.241 176.503 176.870 -0.210 0.000 0.987 174 L CA 0.152 55.002 54.840 0.018 0.000 0.828 174 L CB 1.623 43.603 42.059 -0.133 0.000 1.249 174 L HN 0.706 nan 8.230 nan 0.000 0.409 175 S N 3.765 119.324 115.700 -0.236 0.000 2.704 175 S HA 1.043 5.513 4.470 0.000 0.000 0.296 175 S C -0.831 173.720 174.600 -0.082 0.000 1.138 175 S CA -0.184 57.770 58.200 -0.409 0.000 0.875 175 S CB 1.891 64.518 63.200 -0.954 0.000 1.151 175 S HN 1.386 nan 8.310 nan 0.000 0.500 176 A N 0.089 122.907 122.820 -0.004 0.000 2.488 176 A HA 0.851 5.171 4.320 0.000 0.000 0.298 176 A C -0.557 177.158 177.584 0.218 0.000 1.044 176 A CA -0.432 51.701 52.037 0.161 0.000 0.693 176 A CB 1.253 20.348 19.000 0.158 0.000 1.272 176 A HN 1.823 nan 8.150 nan 0.000 0.402 177 A N 2.935 125.931 122.820 0.294 0.000 2.366 177 A HA 0.627 4.947 4.320 0.000 0.000 0.322 177 A C -0.159 177.534 177.584 0.182 0.000 1.397 177 A CA -0.250 51.954 52.037 0.278 0.000 0.984 177 A CB -0.451 18.755 19.000 0.344 0.000 1.149 177 A HN 0.784 nan 8.150 nan 0.000 0.540 178 L N 1.340 122.583 121.223 0.033 0.000 2.416 178 L HA 0.473 4.813 4.340 0.000 0.000 0.262 178 L C 1.090 177.953 176.870 -0.012 0.000 1.093 178 L CA -0.652 54.101 54.840 -0.145 0.000 0.801 178 L CB 1.369 43.051 42.059 -0.628 0.000 1.191 178 L HN 0.616 nan 8.230 nan 0.000 0.459 179 S N -0.086 115.668 115.700 0.091 0.000 2.580 179 S HA 0.358 4.829 4.470 0.000 0.000 0.274 179 S C 0.713 175.279 174.600 -0.057 0.000 1.329 179 S CA 0.033 58.192 58.200 -0.067 0.000 1.036 179 S CB 1.387 64.323 63.200 -0.440 0.000 0.919 179 S HN 0.684 nan 8.310 nan 0.000 0.515 180 A N 3.454 126.199 122.820 -0.125 0.000 2.267 180 A HA 0.406 4.726 4.320 0.000 0.000 0.213 180 A C 1.057 178.748 177.584 0.178 0.000 1.192 180 A CA 0.303 52.342 52.037 0.003 0.000 0.851 180 A CB -0.465 18.449 19.000 -0.142 0.000 0.881 180 A HN 0.894 nan 8.150 nan 0.000 0.494 181 G N -0.042 108.783 108.800 0.042 0.000 2.351 181 G HA2 0.319 4.279 3.960 0.000 0.000 0.287 181 G HA3 0.319 4.279 3.960 0.000 0.000 0.287 181 G C 0.711 175.595 174.900 -0.026 0.000 1.159 181 G CA -0.201 44.940 45.100 0.068 0.000 0.929 181 G HN 0.309 nan 8.290 nan 0.000 0.435 182 K N 2.089 122.431 120.400 -0.097 0.000 2.034 182 K HA -0.194 4.126 4.320 0.000 0.000 0.214 182 K C 2.477 178.949 176.600 -0.215 0.000 1.051 182 K CA 2.120 58.297 56.287 -0.182 0.000 0.931 182 K CB -0.258 31.850 32.500 -0.654 0.000 0.715 182 K HN 0.389 nan 8.250 nan 0.000 0.446 183 V N 0.946 120.652 119.914 -0.347 0.000 2.282 183 V HA -0.293 3.827 4.120 0.000 0.000 0.249 183 V C 2.367 178.341 176.094 -0.200 0.000 1.057 183 V CA 2.532 64.683 62.300 -0.247 0.000 1.032 183 V CB -1.241 30.456 31.823 -0.211 0.000 0.645 183 V HN 0.431 nan 8.190 nan 0.000 0.447 184 T N 0.510 114.923 114.554 -0.234 0.000 2.701 184 T HA -0.060 4.290 4.350 0.000 0.000 0.263 184 T C 1.902 176.388 174.700 -0.356 0.000 1.040 184 T CA 1.869 63.758 62.100 -0.350 0.000 1.147 184 T CB -0.358 68.197 68.868 -0.521 0.000 0.865 184 T HN 0.354 nan 8.240 nan 0.000 0.426 185 I N 1.613 122.097 120.570 -0.143 0.000 2.194 185 I HA -0.227 3.943 4.170 0.000 0.000 0.246 185 I C 2.285 178.397 176.117 -0.008 0.000 1.093 185 I CA 1.335 62.686 61.300 0.086 0.000 1.355 185 I CB -0.465 37.682 38.000 0.245 0.000 1.046 185 I HN 0.178 nan 8.210 nan 0.000 0.413 186 D N 0.255 120.647 120.400 -0.013 0.000 2.178 186 D HA -0.118 4.522 4.640 0.000 0.000 0.202 186 D C 2.229 178.469 176.300 -0.099 0.000 0.974 186 D CA 1.762 55.755 54.000 -0.012 0.000 0.841 186 D CB -0.016 40.786 40.800 0.003 0.000 0.953 186 D HN 0.382 nan 8.370 nan 0.000 0.478 187 S N -1.447 114.142 115.700 -0.185 0.000 2.556 187 S HA 0.165 4.635 4.470 0.000 0.000 0.216 187 S C 1.470 175.882 174.600 -0.313 0.000 0.970 187 S CA -0.068 58.007 58.200 -0.208 0.000 0.912 187 S CB 0.586 63.675 63.200 -0.185 0.000 0.790 187 S HN -0.050 nan 8.310 nan 0.000 0.504 188 S N -0.622 114.788 115.700 -0.485 0.000 2.653 188 S HA 0.392 4.862 4.470 0.000 0.000 0.259 188 S C -0.876 173.324 174.600 -0.666 0.000 1.076 188 S CA -0.378 57.385 58.200 -0.728 0.000 1.051 188 S CB 0.134 62.629 63.200 -1.175 0.000 0.994 188 S HN 0.538 nan 8.310 nan 0.000 0.552 189 Y N 2.167 122.333 120.300 -0.223 0.000 2.352 189 Y HA 0.560 5.110 4.550 0.000 0.000 0.339 189 Y C -0.147 175.724 175.900 -0.048 0.000 0.992 189 Y CA -2.078 55.954 58.100 -0.113 0.000 1.100 189 Y CB 0.647 39.041 38.460 -0.111 0.000 1.192 189 Y HN -0.029 nan 8.280 nan 0.000 0.458 190 D N 4.330 124.842 120.400 0.185 0.000 2.772 190 D HA 0.138 4.778 4.640 0.000 0.000 0.273 190 D C 1.108 177.450 176.300 0.070 0.000 1.233 190 D CA 0.001 54.052 54.000 0.085 0.000 0.984 190 D CB 0.176 41.017 40.800 0.068 0.000 1.000 190 D HN 0.455 nan 8.370 nan 0.000 0.514 191 I N 1.659 122.255 120.570 0.044 0.000 2.121 191 I HA -0.393 3.777 4.170 0.000 0.000 0.243 191 I C 2.471 178.567 176.117 -0.036 0.000 1.047 191 I CA 1.508 62.798 61.300 -0.016 0.000 1.308 191 I CB -1.541 36.412 38.000 -0.078 0.000 1.015 191 I HN 0.311 nan 8.210 nan 0.000 0.410 192 A N 0.768 123.561 122.820 -0.045 0.000 1.896 192 A HA -0.302 4.019 4.320 0.000 0.000 0.220 192 A C 2.392 179.938 177.584 -0.064 0.000 1.206 192 A CA 2.657 54.662 52.037 -0.054 0.000 0.647 192 A CB -0.698 18.275 19.000 -0.046 0.000 0.828 192 A HN 0.500 nan 8.150 nan 0.000 0.455 193 K N -0.474 119.901 120.400 -0.042 0.000 1.991 193 K HA -0.008 4.312 4.320 0.000 0.000 0.207 193 K C 2.094 178.648 176.600 -0.077 0.000 1.045 193 K CA 1.441 57.694 56.287 -0.056 0.000 0.937 193 K CB -0.541 31.963 32.500 0.006 0.000 0.720 193 K HN 0.761 nan 8.250 nan 0.000 0.438 194 I N -1.047 119.521 120.570 -0.003 0.000 2.264 194 I HA -0.241 3.929 4.170 0.000 0.000 0.248 194 I C 2.346 178.431 176.117 -0.054 0.000 1.111 194 I CA 1.554 62.855 61.300 0.001 0.000 1.382 194 I CB -0.447 37.561 38.000 0.014 0.000 1.060 194 I HN -0.019 nan 8.210 nan 0.000 0.418 195 S N 1.158 116.818 115.700 -0.067 0.000 2.440 195 S HA -0.245 4.225 4.470 0.000 0.000 0.240 195 S C 2.063 176.600 174.600 -0.105 0.000 1.014 195 S CA 1.843 59.999 58.200 -0.073 0.000 0.980 195 S CB -0.478 62.683 63.200 -0.065 0.000 0.775 195 S HN 0.839 nan 8.310 nan 0.000 0.499 196 Q N -1.486 118.193 119.800 -0.202 0.000 2.398 196 Q HA -0.005 4.335 4.340 0.000 0.000 0.204 196 Q C 1.151 176.994 176.000 -0.263 0.000 0.932 196 Q CA 0.758 56.408 55.803 -0.255 0.000 0.916 196 Q CB -0.335 28.195 28.738 -0.346 0.000 1.024 196 Q HN 0.616 nan 8.270 nan 0.000 0.504 197 H N 0.488 119.521 119.070 -0.060 0.000 2.553 197 H HA 0.311 4.867 4.556 0.000 0.000 0.276 197 H C 0.674 175.944 175.328 -0.097 0.000 0.979 197 H CA 0.055 56.055 56.048 -0.081 0.000 1.268 197 H CB 0.550 30.248 29.762 -0.108 0.000 1.450 197 H HN 0.130 nan 8.280 nan 0.000 0.527 198 L N 1.428 122.650 121.223 -0.001 0.000 2.418 198 L HA 0.049 4.389 4.340 0.000 0.000 0.265 198 L C 1.239 178.076 176.870 -0.054 0.000 1.143 198 L CA -0.239 54.561 54.840 -0.066 0.000 0.809 198 L CB 0.948 42.954 42.059 -0.088 0.000 1.124 198 L HN 0.031 nan 8.230 nan 0.000 0.456 199 D N 1.234 121.572 120.400 -0.104 0.000 2.213 199 D HA 0.041 4.681 4.640 0.000 0.000 0.205 199 D C -0.226 176.134 176.300 0.100 0.000 0.961 199 D CA 1.257 55.252 54.000 -0.009 0.000 0.853 199 D CB 0.421 41.230 40.800 0.015 0.000 0.967 199 D HN 0.327 nan 8.370 nan 0.000 0.496 200 F N -0.867 119.096 119.950 0.022 0.000 2.703 200 F HA 0.487 5.014 4.527 0.000 0.000 0.308 200 F C -1.761 174.054 175.800 0.025 0.000 1.126 200 F CA -1.445 56.560 58.000 0.008 0.000 0.959 200 F CB 0.680 39.666 39.000 -0.024 0.000 1.297 200 F HN -0.376 nan 8.300 nan 0.000 0.441 201 I N 2.138 122.895 120.570 0.311 0.000 2.441 201 I HA 0.467 4.637 4.170 0.000 0.000 0.295 201 I C -0.466 175.825 176.117 0.290 0.000 0.994 201 I CA -0.861 60.561 61.300 0.204 0.000 1.144 201 I CB 2.157 40.197 38.000 0.067 0.000 1.314 201 I HN 0.645 nan 8.210 nan 0.000 0.445 202 S N 6.442 122.320 115.700 0.296 0.000 2.438 202 S HA 0.471 4.942 4.470 0.000 0.000 0.316 202 S C -0.316 174.375 174.600 0.152 0.000 1.084 202 S CA -0.430 57.940 58.200 0.282 0.000 1.107 202 S CB 0.918 64.379 63.200 0.435 0.000 0.981 202 S HN 0.430 nan 8.310 nan 0.000 0.466 203 I N 4.617 125.241 120.570 0.090 0.000 2.297 203 I HA 0.261 4.431 4.170 0.000 0.000 0.291 203 I C 0.056 176.121 176.117 -0.086 0.000 1.033 203 I CA -0.762 60.538 61.300 0.000 0.000 1.253 203 I CB 0.559 38.567 38.000 0.013 0.000 1.396 203 I HN 0.659 nan 8.210 nan 0.000 0.476 204 M N 7.112 126.581 119.600 -0.220 0.000 3.588 204 M HA 0.048 4.528 4.480 0.000 0.000 0.197 204 M C 0.561 176.268 176.300 -0.988 0.000 1.623 204 M CA 0.036 54.924 55.300 -0.685 0.000 1.718 204 M CB -1.201 31.062 32.600 -0.563 0.000 1.187 204 M HN 0.544 nan 8.290 nan 0.000 0.541 205 T N 0.230 114.447 114.554 -0.562 0.000 3.842 205 T HA 0.317 4.667 4.350 0.000 0.000 0.267 205 T C -0.534 174.024 174.700 -0.237 0.000 1.173 205 T CA -0.299 61.614 62.100 -0.312 0.000 1.142 205 T CB -0.967 67.932 68.868 0.052 0.000 1.191 205 T HN 0.556 nan 8.240 nan 0.000 0.895 206 Y N -2.326 117.759 120.300 -0.359 0.000 2.852 206 Y HA 0.494 5.044 4.550 0.000 0.000 0.350 206 Y C -0.748 175.024 175.900 -0.215 0.000 1.272 206 Y CA -1.917 56.074 58.100 -0.181 0.000 1.086 206 Y CB -0.123 38.339 38.460 0.004 0.000 1.408 206 Y HN 0.235 nan 8.280 nan 0.000 0.447 207 D N 0.405 121.166 120.400 0.601 0.000 2.828 207 D HA -0.179 4.461 4.640 0.000 0.000 0.241 207 D C -0.616 175.774 176.300 0.151 0.000 1.142 207 D CA 1.046 55.244 54.000 0.330 0.000 0.755 207 D CB -0.974 39.946 40.800 0.201 0.000 1.014 207 D HN 0.587 nan 8.370 nan 0.000 0.420 208 F N -0.646 119.494 119.950 0.317 0.000 2.752 208 F HA 0.114 4.641 4.527 0.000 0.000 0.310 208 F C 1.202 177.158 175.800 0.260 0.000 1.097 208 F CA -0.026 58.118 58.000 0.240 0.000 1.238 208 F CB 0.456 39.575 39.000 0.199 0.000 1.061 208 F HN 0.123 nan 8.300 nan 0.000 0.591 209 H N -0.029 119.263 119.070 0.370 0.000 2.736 209 H HA 0.529 5.086 4.556 0.000 0.000 0.271 209 H C 0.413 175.856 175.328 0.191 0.000 1.184 209 H CA -0.640 55.527 56.048 0.199 0.000 1.378 209 H CB 0.255 30.122 29.762 0.176 0.000 1.428 209 H HN 0.142 nan 8.280 nan 0.000 0.500 210 G N 1.750 110.542 108.800 -0.012 0.000 2.491 210 G HA2 0.267 4.227 3.960 0.000 0.000 0.238 210 G HA3 0.267 4.227 3.960 0.000 0.000 0.238 210 G C 1.009 175.826 174.900 -0.137 0.000 1.277 210 G CA 0.026 45.177 45.100 0.085 0.000 0.851 210 G HN 0.794 nan 8.290 nan 0.000 0.573 211 A N 2.558 125.514 122.820 0.227 0.000 2.178 211 A HA -0.053 4.267 4.320 0.000 0.000 0.218 211 A C 1.883 179.487 177.584 0.034 0.000 1.157 211 A CA 1.507 53.710 52.037 0.276 0.000 0.689 211 A CB -0.560 18.665 19.000 0.374 0.000 0.787 211 A HN 0.973 nan 8.150 nan 0.000 0.465 212 W N 0.183 121.499 121.300 0.027 0.000 2.465 212 W HA -0.107 4.553 4.660 0.000 0.000 0.268 212 W C 1.407 177.888 176.519 -0.064 0.000 1.242 212 W CA 0.707 58.045 57.345 -0.012 0.000 1.248 212 W CB -0.771 28.684 29.460 -0.009 0.000 1.118 212 W HN 0.289 nan 8.180 nan 0.000 0.587 213 R N 1.055 120.934 120.500 -1.035 0.000 2.200 213 R HA -0.047 4.293 4.340 0.000 0.000 0.234 213 R C 2.210 178.245 176.300 -0.442 0.000 1.127 213 R CA 1.678 57.175 56.100 -1.004 0.000 0.989 213 R CB -0.813 28.722 30.300 -1.275 0.000 0.869 213 R HN 0.447 nan 8.270 nan 0.000 0.459 214 G N 0.357 108.964 108.800 -0.322 0.000 2.176 214 G HA2 -0.289 3.671 3.960 0.000 0.000 0.253 214 G HA3 -0.289 3.671 3.960 0.000 0.000 0.253 214 G C 0.226 174.961 174.900 -0.275 0.000 0.979 214 G CA 0.580 45.556 45.100 -0.208 0.000 0.641 214 G HN 0.474 nan 8.290 nan 0.000 0.530 215 T N -0.961 113.367 114.554 -0.377 0.000 2.900 215 T HA 0.682 5.032 4.350 0.000 0.000 0.295 215 T C 0.190 174.470 174.700 -0.700 0.000 1.044 215 T CA 0.291 62.134 62.100 -0.428 0.000 0.995 215 T CB 1.824 70.515 68.868 -0.295 0.000 1.072 215 T HN 1.200 nan 8.240 nan 0.000 0.473 216 T N -0.606 113.369 114.554 -0.965 0.000 2.932 216 T HA 0.527 4.877 4.350 0.000 0.000 0.312 216 T C 0.563 174.481 174.700 -1.304 0.000 1.071 216 T CA -0.230 60.931 62.100 -1.566 0.000 1.128 216 T CB 0.250 67.900 68.868 -2.029 0.000 0.984 216 T HN 1.499 nan 8.240 nan 0.000 0.549 217 G N 1.036 109.115 108.800 -1.201 0.000 2.524 217 G HA2 0.281 4.241 3.960 0.000 0.000 0.306 217 G HA3 0.281 4.241 3.960 0.000 0.000 0.306 217 G C -0.962 173.913 174.900 -0.041 0.000 1.420 217 G CA -0.879 43.625 45.100 -0.993 0.000 1.086 217 G HN 1.014 nan 8.290 nan 0.000 0.591 218 H N 1.334 120.504 119.070 0.166 0.000 3.001 218 H HA -0.009 4.547 4.556 0.000 0.000 0.334 218 H C 1.495 177.004 175.328 0.302 0.000 1.034 218 H CA 1.407 57.656 56.048 0.334 0.000 1.420 218 H CB 0.959 30.840 29.762 0.199 0.000 1.405 218 H HN 0.852 nan 8.280 nan 0.000 0.593 219 H N 0.996 120.119 119.070 0.088 0.000 2.553 219 H HA 0.187 4.743 4.556 0.000 0.000 0.265 219 H C 0.312 175.887 175.328 0.412 0.000 0.964 219 H CA 0.279 56.488 56.048 0.268 0.000 1.156 219 H CB 0.610 30.451 29.762 0.131 0.000 1.411 219 H HN 0.228 nan 8.280 nan 0.000 0.558 220 S N 1.953 117.697 115.700 0.073 0.000 2.472 220 S HA 0.245 4.715 4.470 0.000 0.000 0.191 220 S C -2.838 171.862 174.600 0.167 0.000 1.244 220 S CA -1.187 57.086 58.200 0.121 0.000 1.227 220 S CB 0.151 63.177 63.200 -0.289 0.000 1.381 220 S HN 0.285 nan 8.310 nan 0.000 0.394 221 P HA 0.169 nan 4.420 nan 0.000 0.274 221 P C 0.710 177.891 177.300 -0.199 0.000 1.246 221 P CA -0.545 62.477 63.100 -0.129 0.000 0.795 221 P CB 0.949 32.600 31.700 -0.080 0.000 1.006 222 L N 0.568 121.602 121.223 -0.315 0.000 2.249 222 L HA 0.307 4.647 4.340 0.000 0.000 0.207 222 L C 0.284 176.618 176.870 -0.893 0.000 1.090 222 L CA 1.434 55.884 54.840 -0.651 0.000 0.802 222 L CB -0.477 41.124 42.059 -0.763 0.000 0.947 222 L HN 0.263 nan 8.230 nan 0.000 0.453 223 F N -2.394 117.449 119.950 -0.178 0.000 2.706 223 F HA 0.410 4.937 4.527 0.000 0.000 0.328 223 F C 1.512 177.239 175.800 -0.122 0.000 1.123 223 F CA -0.823 57.096 58.000 -0.136 0.000 0.978 223 F CB 0.650 39.591 39.000 -0.099 0.000 1.404 223 F HN -0.413 nan 8.300 nan 0.000 0.497 224 R N 0.579 121.154 120.500 0.126 0.000 2.115 224 R HA 0.214 4.554 4.340 0.000 0.000 0.230 224 R C 0.917 177.216 176.300 -0.002 0.000 1.111 224 R CA 1.311 57.412 56.100 0.002 0.000 0.976 224 R CB -0.533 29.753 30.300 -0.023 0.000 0.870 224 R HN 0.995 nan 8.270 nan 0.000 0.445 225 G N 0.296 109.116 108.800 0.034 0.000 2.598 225 G HA2 -0.396 3.564 3.960 0.000 0.000 0.244 225 G HA3 -0.396 3.564 3.960 0.000 0.000 0.244 225 G C -0.895 173.989 174.900 -0.026 0.000 1.302 225 G CA 0.141 45.244 45.100 0.004 0.000 0.903 225 G HN 0.546 nan 8.290 nan 0.000 0.575 226 Q N 0.290 120.073 119.800 -0.028 0.000 2.320 226 Q HA 0.028 4.369 4.340 0.000 0.000 0.311 226 Q C 1.569 177.538 176.000 -0.051 0.000 1.083 226 Q CA 0.862 56.643 55.803 -0.038 0.000 1.001 226 Q CB 0.324 29.042 28.738 -0.033 0.000 1.074 226 Q HN 0.601 nan 8.270 nan 0.000 0.379 227 E N 3.074 123.243 120.200 -0.053 0.000 2.021 227 E HA -0.241 4.109 4.350 0.000 0.000 0.200 227 E C 0.821 177.378 176.600 -0.072 0.000 1.015 227 E CA 1.994 58.356 56.400 -0.063 0.000 0.824 227 E CB 0.070 29.736 29.700 -0.056 0.000 0.762 227 E HN 0.882 nan 8.360 nan 0.000 0.454 228 D N -0.864 119.497 120.400 -0.064 0.000 2.338 228 D HA 0.017 4.657 4.640 0.000 0.000 0.239 228 D C 0.787 177.043 176.300 -0.073 0.000 1.095 228 D CA 0.614 54.574 54.000 -0.067 0.000 0.888 228 D CB 0.169 40.935 40.800 -0.057 0.000 0.899 228 D HN 0.116 nan 8.370 nan 0.000 0.525 229 A N -0.144 122.631 122.820 -0.075 0.000 2.390 229 A HA 0.324 4.644 4.320 0.000 0.000 0.232 229 A C 0.840 178.364 177.584 -0.100 0.000 1.233 229 A CA -0.106 51.880 52.037 -0.085 0.000 0.907 229 A CB 0.035 18.989 19.000 -0.075 0.000 0.967 229 A HN 0.248 nan 8.150 nan 0.000 0.512 230 S N -0.735 114.907 115.700 -0.098 0.000 2.501 230 S HA 0.599 5.069 4.470 0.000 0.000 0.301 230 S C -1.931 172.601 174.600 -0.113 0.000 1.096 230 S CA -1.082 57.056 58.200 -0.105 0.000 1.063 230 S CB 1.634 64.765 63.200 -0.114 0.000 1.042 230 S HN -0.008 nan 8.310 nan 0.000 0.494 231 P HA 0.101 nan 4.420 nan 0.000 0.215 231 P C -0.443 176.750 177.300 -0.179 0.000 1.157 231 P CA 1.310 64.344 63.100 -0.110 0.000 0.859 231 P CB -0.115 31.540 31.700 -0.076 0.000 0.786 232 D N -3.515 116.728 120.400 -0.262 0.000 2.626 232 D HA 0.144 4.784 4.640 0.000 0.000 0.278 232 D C 0.523 176.475 176.300 -0.580 0.000 1.211 232 D CA -0.954 52.741 54.000 -0.508 0.000 0.903 232 D CB 0.484 40.815 40.800 -0.782 0.000 1.408 232 D HN -0.073 nan 8.370 nan 0.000 0.454 233 R N -0.382 119.641 120.500 -0.795 0.000 2.240 233 R HA 0.082 4.422 4.340 0.000 0.000 0.203 233 R C 0.476 176.390 176.300 -0.643 0.000 1.011 233 R CA 0.765 56.523 56.100 -0.570 0.000 1.007 233 R CB -0.586 29.465 30.300 -0.416 0.000 0.911 233 R HN 0.412 nan 8.270 nan 0.000 0.468 234 F N -0.909 118.647 119.950 -0.657 0.000 2.721 234 F HA 0.477 5.004 4.527 0.000 0.000 0.301 234 F C 0.377 175.848 175.800 -0.548 0.000 1.096 234 F CA -1.178 56.223 58.000 -0.999 0.000 1.308 234 F CB -0.070 38.130 39.000 -1.333 0.000 1.086 234 F HN -0.206 nan 8.300 nan 0.000 0.587 235 S N 2.473 118.037 115.700 -0.227 0.000 4.069 235 S HA 0.262 4.733 4.470 0.000 0.000 0.192 235 S C -0.476 173.457 174.600 -1.112 0.000 1.441 235 S CA -0.359 57.483 58.200 -0.596 0.000 0.994 235 S CB -1.566 61.534 63.200 -0.167 0.000 1.456 235 S HN 0.707 nan 8.310 nan 0.000 0.458 236 N N -2.454 115.535 118.700 -1.184 0.000 2.859 236 N HA 0.233 4.973 4.740 0.000 0.000 0.250 236 N C 0.398 175.726 175.510 -0.303 0.000 1.341 236 N CA -0.825 51.797 53.050 -0.713 0.000 0.881 236 N CB 0.084 38.384 38.487 -0.312 0.000 1.516 236 N HN -0.164 nan 8.380 nan 0.000 0.503 237 T N -0.601 113.891 114.554 -0.104 0.000 2.607 237 T HA -0.258 4.092 4.350 0.000 0.000 0.267 237 T C 1.044 175.689 174.700 -0.092 0.000 1.049 237 T CA 2.164 64.251 62.100 -0.021 0.000 1.162 237 T CB -0.749 68.014 68.868 -0.176 0.000 0.863 237 T HN 0.826 nan 8.240 nan 0.000 0.424 238 D N 0.017 120.216 120.400 -0.336 0.000 2.126 238 D HA -0.222 4.419 4.640 0.000 0.000 0.190 238 D C 1.905 178.267 176.300 0.102 0.000 1.001 238 D CA 1.514 55.392 54.000 -0.204 0.000 0.841 238 D CB -0.470 40.186 40.800 -0.240 0.000 0.949 238 D HN 0.508 nan 8.370 nan 0.000 0.446 239 Y N 0.616 120.926 120.300 0.017 0.000 2.128 239 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 239 Y C 2.298 178.294 175.900 0.160 0.000 1.154 239 Y CA 2.293 60.445 58.100 0.087 0.000 1.149 239 Y CB -0.833 37.654 38.460 0.045 0.000 0.976 239 Y HN 0.080 nan 8.280 nan 0.000 0.505 240 A N -0.480 122.562 122.820 0.371 0.000 1.865 240 A HA -0.189 4.131 4.320 0.000 0.000 0.217 240 A C 2.363 180.062 177.584 0.191 0.000 1.191 240 A CA 2.291 54.533 52.037 0.342 0.000 0.623 240 A CB -1.426 17.800 19.000 0.376 0.000 0.826 240 A HN 0.352 nan 8.150 nan 0.000 0.444 241 V N -0.111 119.901 119.914 0.164 0.000 2.255 241 V HA -0.217 3.903 4.120 0.000 0.000 0.247 241 V C 2.799 178.956 176.094 0.104 0.000 1.051 241 V CA 2.182 64.572 62.300 0.151 0.000 1.018 241 V CB -1.459 30.521 31.823 0.261 0.000 0.641 241 V HN 0.631 nan 8.190 nan 0.000 0.445 242 G N -2.102 106.758 108.800 0.100 0.000 2.443 242 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 242 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 242 G C 1.526 176.413 174.900 -0.021 0.000 1.131 242 G CA 0.798 45.920 45.100 0.037 0.000 0.775 242 G HN 0.536 nan 8.290 nan 0.000 0.547 243 Y N 0.549 120.699 120.300 -0.250 0.000 2.263 243 Y HA 0.156 4.706 4.550 0.000 0.000 0.292 243 Y C 2.672 178.510 175.900 -0.102 0.000 1.130 243 Y CA 1.197 59.130 58.100 -0.277 0.000 1.179 243 Y CB -0.162 38.068 38.460 -0.382 0.000 0.998 243 Y HN 0.166 nan 8.280 nan 0.000 0.532 244 M N -1.026 118.505 119.600 -0.116 0.000 2.123 244 M HA -0.177 4.303 4.480 0.000 0.000 0.263 244 M C 2.160 178.381 176.300 -0.133 0.000 1.069 244 M CA 1.435 56.632 55.300 -0.170 0.000 1.133 244 M CB -0.299 32.262 32.600 -0.066 0.000 1.356 244 M HN 0.293 nan 8.290 nan 0.000 0.415 245 L N -0.621 120.562 121.223 -0.067 0.000 2.013 245 L HA -0.300 4.040 4.340 0.000 0.000 0.212 245 L C 2.637 179.466 176.870 -0.069 0.000 1.073 245 L CA 1.561 56.372 54.840 -0.049 0.000 0.753 245 L CB -0.644 41.404 42.059 -0.019 0.000 0.890 245 L HN 0.334 nan 8.230 nan 0.000 0.432 246 R N 0.337 120.789 120.500 -0.080 0.000 2.105 246 R HA -0.176 4.164 4.340 0.000 0.000 0.239 246 R C 2.115 178.345 176.300 -0.118 0.000 1.135 246 R CA 1.323 57.378 56.100 -0.075 0.000 0.967 246 R CB -0.202 30.073 30.300 -0.041 0.000 0.861 246 R HN 0.347 nan 8.270 nan 0.000 0.442 247 L N -0.529 120.565 121.223 -0.215 0.000 2.610 247 L HA 0.096 4.436 4.340 0.000 0.000 0.232 247 L C 1.043 177.832 176.870 -0.134 0.000 1.149 247 L CA 0.716 55.421 54.840 -0.225 0.000 0.872 247 L CB 0.324 42.156 42.059 -0.378 0.000 0.992 247 L HN 0.647 nan 8.230 nan 0.000 0.447 248 G N -0.561 108.178 108.800 -0.102 0.000 2.154 248 G HA2 -0.155 3.805 3.960 0.000 0.000 0.186 248 G HA3 -0.155 3.805 3.960 0.000 0.000 0.186 248 G C 0.188 175.048 174.900 -0.066 0.000 1.000 248 G CA -0.226 44.830 45.100 -0.073 0.000 0.664 248 G HN 0.397 nan 8.290 nan 0.000 0.513 249 A N 0.789 123.568 122.820 -0.068 0.000 2.309 249 A HA 0.734 5.054 4.320 0.000 0.000 0.290 249 A C -1.902 175.664 177.584 -0.030 0.000 1.206 249 A CA -1.288 50.718 52.037 -0.050 0.000 0.850 249 A CB 0.413 19.382 19.000 -0.052 0.000 1.118 249 A HN 0.090 nan 8.150 nan 0.000 0.523 250 P HA 0.124 nan 4.420 nan 0.000 0.261 250 P C 1.012 178.315 177.300 0.006 0.000 1.203 250 P CA 0.627 63.721 63.100 -0.009 0.000 0.767 250 P CB 0.932 32.628 31.700 -0.007 0.000 0.785 251 A N 4.179 127.002 122.820 0.005 0.000 1.971 251 A HA -0.271 4.049 4.320 0.000 0.000 0.222 251 A C 2.190 179.794 177.584 0.033 0.000 1.182 251 A CA 2.516 54.562 52.037 0.016 0.000 0.649 251 A CB -1.586 17.419 19.000 0.009 0.000 0.818 251 A HN 0.573 nan 8.150 nan 0.000 0.458 252 S N -0.946 114.772 115.700 0.029 0.000 2.465 252 S HA -0.106 4.364 4.470 0.000 0.000 0.241 252 S C 1.437 176.072 174.600 0.058 0.000 1.000 252 S CA 1.594 59.817 58.200 0.038 0.000 0.964 252 S CB -0.201 63.014 63.200 0.025 0.000 0.763 252 S HN 0.650 nan 8.310 nan 0.000 0.512 253 K N -0.373 120.064 120.400 0.062 0.000 2.374 253 K HA 0.368 4.688 4.320 0.000 0.000 0.202 253 K C -0.759 175.913 176.600 0.120 0.000 1.040 253 K CA -0.277 56.070 56.287 0.100 0.000 1.085 253 K CB 0.353 32.897 32.500 0.074 0.000 0.873 253 K HN 0.221 nan 8.250 nan 0.000 0.539 254 L N 1.778 123.051 121.223 0.082 0.000 2.257 254 L HA 0.225 4.565 4.340 0.000 0.000 0.290 254 L C -0.870 176.047 176.870 0.078 0.000 1.044 254 L CA -0.437 54.452 54.840 0.081 0.000 0.810 254 L CB 1.460 43.551 42.059 0.052 0.000 1.193 254 L HN -0.241 nan 8.230 nan 0.000 0.425 255 V N 5.967 125.938 119.914 0.095 0.000 2.347 255 V HA 0.355 4.475 4.120 0.000 0.000 0.280 255 V C 0.371 176.520 176.094 0.092 0.000 1.021 255 V CA -0.538 61.798 62.300 0.060 0.000 0.847 255 V CB 1.395 33.220 31.823 0.005 0.000 0.990 255 V HN 0.740 nan 8.190 nan 0.000 0.444 256 M N 4.426 124.076 119.600 0.083 0.000 2.143 256 M HA 0.411 4.891 4.480 0.000 0.000 0.348 256 M C 0.816 177.191 176.300 0.125 0.000 1.375 256 M CA -0.116 55.244 55.300 0.100 0.000 1.124 256 M CB 0.338 33.003 32.600 0.108 0.000 1.669 256 M HN 0.833 nan 8.290 nan 0.000 0.469 257 G N 6.055 114.940 108.800 0.142 0.000 2.441 257 G HA2 0.446 4.406 3.960 0.000 0.000 0.243 257 G HA3 0.446 4.406 3.960 0.000 0.000 0.243 257 G C -0.655 174.406 174.900 0.269 0.000 1.281 257 G CA -0.439 44.808 45.100 0.245 0.000 0.854 257 G HN 0.805 nan 8.290 nan 0.000 0.560 258 I N 3.766 124.526 120.570 0.317 0.000 2.533 258 I HA 0.337 4.507 4.170 0.000 0.000 0.290 258 I C -2.295 173.971 176.117 0.249 0.000 1.056 258 I CA -2.199 59.239 61.300 0.229 0.000 1.057 258 I CB 3.491 41.566 38.000 0.126 0.000 1.240 258 I HN 0.335 nan 8.210 nan 0.000 0.423 259 P HA 0.223 nan 4.420 nan 0.000 0.298 259 P C 0.067 177.368 177.300 0.002 0.000 1.314 259 P CA -0.408 62.694 63.100 0.002 0.000 0.854 259 P CB 1.635 33.121 31.700 -0.356 0.000 1.019 260 T N -0.280 114.355 114.554 0.134 0.000 3.206 260 T HA 0.316 4.666 4.350 0.000 0.000 0.253 260 T C 0.405 175.222 174.700 0.195 0.000 1.042 260 T CA -0.252 61.916 62.100 0.114 0.000 0.931 260 T CB -1.000 67.962 68.868 0.157 0.000 1.029 260 T HN 0.405 nan 8.240 nan 0.000 0.564 261 F N -0.656 119.338 119.950 0.074 0.000 2.631 261 F HA 0.922 5.449 4.527 0.000 0.000 0.328 261 F C -0.122 175.731 175.800 0.088 0.000 1.067 261 F CA -1.689 56.333 58.000 0.036 0.000 0.969 261 F CB 1.064 40.057 39.000 -0.012 0.000 1.332 261 F HN 0.065 nan 8.300 nan 0.000 0.490 262 G N 0.497 109.321 108.800 0.039 0.000 2.569 262 G HA2 0.595 4.555 3.960 0.000 0.000 0.300 262 G HA3 0.595 4.555 3.960 0.000 0.000 0.300 262 G C -1.718 173.086 174.900 -0.159 0.000 1.269 262 G CA -1.346 43.706 45.100 -0.080 0.000 0.959 262 G HN 0.654 nan 8.290 nan 0.000 0.478 263 R N 0.862 121.174 120.500 -0.314 0.000 2.265 263 R HA 0.430 4.770 4.340 0.000 0.000 0.328 263 R C 0.067 176.098 176.300 -0.449 0.000 0.969 263 R CA -0.336 55.539 56.100 -0.375 0.000 0.832 263 R CB 1.563 31.593 30.300 -0.449 0.000 1.139 263 R HN 0.693 nan 8.270 nan 0.000 0.457 264 S N 2.365 117.779 115.700 -0.477 0.000 2.713 264 S HA 0.748 5.218 4.470 0.000 0.000 0.283 264 S C -0.298 173.889 174.600 -0.689 0.000 1.161 264 S CA -0.480 57.473 58.200 -0.412 0.000 0.999 264 S CB 1.088 64.141 63.200 -0.244 0.000 1.039 264 S HN 0.354 nan 8.310 nan 0.000 0.548 265 F N -1.264 118.779 119.950 0.155 0.000 2.685 265 F HA 0.525 5.052 4.527 0.000 0.000 0.315 265 F C -0.170 175.697 175.800 0.113 0.000 1.126 265 F CA -0.843 57.220 58.000 0.106 0.000 0.950 265 F CB 1.934 40.972 39.000 0.062 0.000 1.360 265 F HN 0.512 nan 8.300 nan 0.000 0.469 266 T N 2.943 117.669 114.554 0.287 0.000 2.842 266 T HA 0.515 4.865 4.350 0.000 0.000 0.308 266 T C -0.311 174.474 174.700 0.142 0.000 1.041 266 T CA -0.563 61.653 62.100 0.193 0.000 0.964 266 T CB 0.267 69.215 68.868 0.133 0.000 0.972 266 T HN 0.317 nan 8.240 nan 0.000 0.460 267 L N 2.148 123.460 121.223 0.147 0.000 2.559 267 L HA 0.193 4.533 4.340 0.000 0.000 0.282 267 L C 1.479 178.379 176.870 0.051 0.000 1.232 267 L CA -0.230 54.656 54.840 0.077 0.000 0.885 267 L CB 0.237 42.367 42.059 0.118 0.000 1.131 267 L HN 0.754 nan 8.230 nan 0.000 0.498 268 A N 1.846 124.672 122.820 0.011 0.000 2.252 268 A HA 0.207 4.528 4.320 0.000 0.000 0.213 268 A C 0.906 178.496 177.584 0.011 0.000 1.188 268 A CA 0.663 52.706 52.037 0.011 0.000 0.863 268 A CB 0.103 19.099 19.000 -0.008 0.000 0.893 268 A HN 0.759 nan 8.150 nan 0.000 0.495 269 S N -1.505 114.200 115.700 0.009 0.000 2.851 269 S HA 0.415 4.885 4.470 0.000 0.000 0.313 269 S C 0.792 175.410 174.600 0.031 0.000 1.163 269 S CA 0.485 58.692 58.200 0.012 0.000 0.850 269 S CB 0.774 63.969 63.200 -0.007 0.000 1.245 269 S HN 0.693 nan 8.310 nan 0.000 0.558 270 S N -0.743 114.975 115.700 0.030 0.000 2.593 270 S HA 0.210 4.680 4.470 0.000 0.000 0.217 270 S C 0.033 174.663 174.600 0.050 0.000 0.966 270 S CA -0.288 57.941 58.200 0.048 0.000 0.914 270 S CB -0.743 62.483 63.200 0.042 0.000 0.776 270 S HN 0.680 nan 8.310 nan 0.000 0.523 271 E N 1.933 122.147 120.200 0.025 0.000 2.290 271 E HA 0.235 4.585 4.350 0.000 0.000 0.277 271 E C 0.497 177.114 176.600 0.028 0.000 1.035 271 E CA 0.207 56.613 56.400 0.010 0.000 0.873 271 E CB 0.982 30.662 29.700 -0.034 0.000 1.029 271 E HN 0.544 nan 8.360 nan 0.000 0.419 272 T N -0.608 113.992 114.554 0.076 0.000 3.170 272 T HA 0.272 4.622 4.350 0.000 0.000 0.288 272 T C 0.672 175.503 174.700 0.217 0.000 0.992 272 T CA -0.383 61.833 62.100 0.193 0.000 0.909 272 T CB 0.535 69.595 68.868 0.320 0.000 1.133 272 T HN 0.363 nan 8.240 nan 0.000 0.530 273 G N 1.063 109.888 108.800 0.041 0.000 2.537 273 G HA2 0.544 4.504 3.960 0.000 0.000 0.297 273 G HA3 0.544 4.504 3.960 0.000 0.000 0.297 273 G C -0.425 174.351 174.900 -0.207 0.000 1.310 273 G CA -0.675 44.437 45.100 0.021 0.000 1.027 273 G HN 0.304 nan 8.290 nan 0.000 0.505 274 V N 0.578 120.389 119.914 -0.172 0.000 2.599 274 V HA 0.400 4.520 4.120 0.000 0.000 0.300 274 V C 1.602 177.501 176.094 -0.325 0.000 1.034 274 V CA 1.870 63.983 62.300 -0.312 0.000 1.115 274 V CB 0.414 32.153 31.823 -0.139 0.000 0.934 274 V HN 1.818 nan 8.190 nan 0.000 0.485 275 G N 3.477 112.005 108.800 -0.454 0.000 2.194 275 G HA2 -0.106 3.854 3.960 0.000 0.000 0.236 275 G HA3 -0.106 3.854 3.960 0.000 0.000 0.236 275 G C 0.460 175.164 174.900 -0.327 0.000 0.987 275 G CA 0.151 45.047 45.100 -0.340 0.000 0.635 275 G HN 1.540 nan 8.290 nan 0.000 0.520 276 A N 1.604 124.191 122.820 -0.388 0.000 2.483 276 A HA 0.569 4.889 4.320 0.000 0.000 0.238 276 A C -1.219 176.177 177.584 -0.313 0.000 1.070 276 A CA -0.019 51.835 52.037 -0.305 0.000 0.770 276 A CB 0.152 18.971 19.000 -0.302 0.000 1.008 276 A HN 0.336 nan 8.150 nan 0.000 0.497 277 P HA 0.344 nan 4.420 nan 0.000 0.281 277 P C -0.497 176.707 177.300 -0.159 0.000 1.252 277 P CA 0.190 63.184 63.100 -0.177 0.000 0.778 277 P CB 0.652 32.285 31.700 -0.112 0.000 0.895 278 I N 0.136 120.606 120.570 -0.167 0.000 3.100 278 I HA 0.545 4.716 4.170 0.000 0.000 0.312 278 I C 0.586 176.686 176.117 -0.028 0.000 1.063 278 I CA -0.990 60.257 61.300 -0.090 0.000 1.031 278 I CB 2.115 40.048 38.000 -0.112 0.000 1.243 278 I HN 0.205 nan 8.210 nan 0.000 0.483 279 S N 0.151 115.867 115.700 0.027 0.000 2.650 279 S HA 0.720 5.190 4.470 0.000 0.000 0.240 279 S C 0.422 175.061 174.600 0.064 0.000 1.007 279 S CA -0.007 58.216 58.200 0.037 0.000 0.984 279 S CB -0.093 63.131 63.200 0.040 0.000 0.910 279 S HN 1.637 nan 8.310 nan 0.000 0.509 280 G N 1.811 110.669 108.800 0.097 0.000 2.359 280 G HA2 0.238 4.198 3.960 0.000 0.000 0.303 280 G HA3 0.238 4.198 3.960 0.000 0.000 0.303 280 G C -3.502 171.508 174.900 0.182 0.000 1.293 280 G CA -0.756 44.420 45.100 0.127 0.000 0.964 280 G HN 0.089 nan 8.290 nan 0.000 0.531 281 P HA 0.354 nan 4.420 nan 0.000 0.269 281 P C 0.953 178.282 177.300 0.049 0.000 1.217 281 P CA 0.864 64.007 63.100 0.073 0.000 0.783 281 P CB 0.403 32.113 31.700 0.017 0.000 0.898 282 G N 1.724 110.509 108.800 -0.025 0.000 2.636 282 G HA2 0.260 4.220 3.960 0.000 0.000 0.246 282 G HA3 0.260 4.220 3.960 0.000 0.000 0.246 282 G C 0.256 175.149 174.900 -0.011 0.000 1.216 282 G CA -0.801 44.298 45.100 -0.001 0.000 0.854 282 G HN 0.456 nan 8.290 nan 0.000 0.572 283 I N 1.645 122.222 120.570 0.011 0.000 2.752 283 I HA 0.044 4.215 4.170 0.000 0.000 0.287 283 I C -1.659 174.447 176.117 -0.017 0.000 1.188 283 I CA -1.122 60.186 61.300 0.013 0.000 1.427 283 I CB 0.899 38.925 38.000 0.043 0.000 1.365 283 I HN 0.242 nan 8.210 nan 0.000 0.585 284 P HA 0.084 nan 4.420 nan 0.000 0.269 284 P C -0.081 177.208 177.300 -0.019 0.000 1.215 284 P CA -0.247 62.841 63.100 -0.021 0.000 0.780 284 P CB 0.519 32.214 31.700 -0.009 0.000 0.898 285 G N 1.029 109.817 108.800 -0.021 0.000 2.476 285 G HA2 0.112 4.072 3.960 0.000 0.000 0.269 285 G HA3 0.112 4.072 3.960 0.000 0.000 0.269 285 G C 0.841 175.726 174.900 -0.025 0.000 1.195 285 G CA -0.526 44.570 45.100 -0.007 0.000 0.843 285 G HN 0.504 nan 8.290 nan 0.000 0.545 286 R N 0.829 121.270 120.500 -0.099 0.000 2.139 286 R HA -0.111 4.229 4.340 0.000 0.000 0.243 286 R C 1.163 177.203 176.300 -0.433 0.000 1.145 286 R CA 1.713 57.620 56.100 -0.322 0.000 0.976 286 R CB -0.168 29.823 30.300 -0.516 0.000 0.866 286 R HN 0.609 nan 8.270 nan 0.000 0.449 287 F N -1.319 118.703 119.950 0.121 0.000 2.419 287 F HA 0.060 4.588 4.527 0.000 0.000 0.283 287 F C 2.584 178.461 175.800 0.129 0.000 1.044 287 F CA 0.897 58.995 58.000 0.162 0.000 1.376 287 F CB -0.307 38.864 39.000 0.286 0.000 1.131 287 F HN 0.046 nan 8.300 nan 0.000 0.585 288 T N -2.276 112.429 114.554 0.251 0.000 3.067 288 T HA -0.015 4.336 4.350 0.000 0.000 0.261 288 T C 0.828 175.587 174.700 0.098 0.000 1.110 288 T CA 0.099 62.289 62.100 0.149 0.000 1.113 288 T CB -0.564 68.335 68.868 0.053 0.000 0.917 288 T HN 0.145 nan 8.240 nan 0.000 0.499 289 K N 1.757 122.197 120.400 0.066 0.000 3.356 289 K HA -0.201 4.119 4.320 0.000 0.000 0.270 289 K C -0.218 176.394 176.600 0.021 0.000 0.901 289 K CA 0.764 57.071 56.287 0.034 0.000 0.688 289 K CB -1.327 31.199 32.500 0.043 0.000 1.460 289 K HN 0.777 nan 8.250 nan 0.000 0.458 290 E N 0.236 120.438 120.200 0.002 0.000 2.302 290 E HA 0.424 4.774 4.350 0.000 0.000 0.263 290 E C -0.798 175.782 176.600 -0.033 0.000 0.897 290 E CA -0.457 55.933 56.400 -0.015 0.000 0.809 290 E CB 1.329 31.014 29.700 -0.026 0.000 1.270 290 E HN 0.314 nan 8.360 nan 0.000 0.410 291 A N 2.658 125.463 122.820 -0.025 0.000 2.546 291 A HA 0.423 4.743 4.320 0.000 0.000 0.243 291 A C 1.295 178.843 177.584 -0.060 0.000 1.063 291 A CA 1.130 53.148 52.037 -0.032 0.000 0.757 291 A CB -0.305 18.691 19.000 -0.008 0.000 0.991 291 A HN 1.267 nan 8.150 nan 0.000 0.503 292 G N 1.820 110.563 108.800 -0.096 0.000 2.199 292 G HA2 -0.176 3.784 3.960 0.000 0.000 0.254 292 G HA3 -0.176 3.784 3.960 0.000 0.000 0.254 292 G C 0.389 175.179 174.900 -0.184 0.000 0.982 292 G CA 0.595 45.591 45.100 -0.173 0.000 0.632 292 G HN 1.285 nan 8.290 nan 0.000 0.529 293 T N 0.593 115.074 114.554 -0.122 0.000 2.887 293 T HA 0.765 5.115 4.350 0.000 0.000 0.288 293 T C -0.447 174.206 174.700 -0.079 0.000 1.021 293 T CA -0.343 61.708 62.100 -0.082 0.000 1.000 293 T CB 2.075 70.883 68.868 -0.101 0.000 1.034 293 T HN 0.445 nan 8.240 nan 0.000 0.467 294 L N 1.602 122.800 121.223 -0.041 0.000 2.543 294 L HA 0.626 4.966 4.340 0.000 0.000 0.265 294 L C -0.063 176.762 176.870 -0.074 0.000 0.945 294 L CA -1.166 53.614 54.840 -0.100 0.000 0.869 294 L CB 1.805 43.760 42.059 -0.174 0.000 1.294 294 L HN 0.784 nan 8.230 nan 0.000 0.405 295 A N 1.331 124.012 122.820 -0.231 0.000 2.346 295 A HA 0.183 4.503 4.320 0.000 0.000 0.252 295 A C 0.388 177.796 177.584 -0.293 0.000 1.089 295 A CA 0.188 52.027 52.037 -0.331 0.000 0.797 295 A CB 0.175 18.636 19.000 -0.899 0.000 1.047 295 A HN 0.749 nan 8.150 nan 0.000 0.494 296 Y N 1.075 121.209 120.300 -0.275 0.000 2.145 296 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 296 Y C 2.118 177.895 175.900 -0.207 0.000 1.145 296 Y CA 2.630 60.629 58.100 -0.168 0.000 1.148 296 Y CB -0.909 37.543 38.460 -0.013 0.000 0.981 296 Y HN 0.808 nan 8.280 nan 0.000 0.507 297 Y N -0.676 119.454 120.300 -0.283 0.000 2.384 297 Y HA -0.088 4.462 4.550 0.000 0.000 0.289 297 Y C 1.818 177.409 175.900 -0.516 0.000 1.152 297 Y CA 1.261 59.035 58.100 -0.544 0.000 1.258 297 Y CB -1.258 36.699 38.460 -0.839 0.000 0.979 297 Y HN 0.203 nan 8.280 nan 0.000 0.549 298 E N 0.690 120.600 120.200 -0.483 0.000 2.158 298 E HA -0.024 4.326 4.350 0.000 0.000 0.191 298 E C 2.072 178.608 176.600 -0.107 0.000 0.982 298 E CA 0.967 57.266 56.400 -0.168 0.000 0.823 298 E CB -0.136 29.463 29.700 -0.170 0.000 0.766 298 E HN 0.549 nan 8.360 nan 0.000 0.468 299 I N 0.893 121.331 120.570 -0.221 0.000 2.286 299 I HA -0.309 3.862 4.170 0.000 0.000 0.248 299 I C 2.194 178.211 176.117 -0.167 0.000 1.115 299 I CA 0.640 61.813 61.300 -0.212 0.000 1.392 299 I CB -0.308 37.477 38.000 -0.357 0.000 1.065 299 I HN 0.259 nan 8.210 nan 0.000 0.418 300 c N 0.386 118.813 118.600 -0.288 0.000 2.410 300 c HA -0.178 4.392 4.570 0.000 0.000 0.281 300 c C 2.278 176.355 174.090 -0.022 0.000 1.318 300 c CA 0.759 56.966 56.329 -0.204 0.000 1.776 300 c CB -1.279 41.086 42.510 -0.242 0.000 1.942 300 c HN 0.518 nan 8.230 nan 0.000 0.508 301 D N -0.209 120.226 120.400 0.059 0.000 2.137 301 D HA -0.052 4.588 4.640 0.000 0.000 0.202 301 D C 1.783 178.153 176.300 0.117 0.000 0.970 301 D CA 0.725 54.803 54.000 0.130 0.000 0.837 301 D CB -0.238 40.695 40.800 0.221 0.000 0.981 301 D HN 0.430 nan 8.370 nan 0.000 0.475 302 F N 1.006 120.933 119.950 -0.039 0.000 2.134 302 F HA -0.083 4.444 4.527 0.000 0.000 0.299 302 F C 1.676 177.449 175.800 -0.044 0.000 1.097 302 F CA 1.113 59.089 58.000 -0.040 0.000 1.264 302 F CB -0.180 38.775 39.000 -0.074 0.000 1.001 302 F HN -0.060 nan 8.300 nan 0.000 0.479 303 L N 0.506 121.729 121.223 0.000 0.000 2.353 303 L HA -0.143 4.197 4.340 0.000 0.000 0.220 303 L C 0.817 177.624 176.870 -0.105 0.000 1.133 303 L CA 0.561 55.357 54.840 -0.074 0.000 0.798 303 L CB -0.675 41.369 42.059 -0.025 0.000 0.922 303 L HN -0.053 nan 8.230 nan 0.000 0.445 304 R N 1.386 121.833 120.500 -0.087 0.000 2.435 304 R HA 0.156 4.496 4.340 0.000 0.000 0.325 304 R C 0.885 177.118 176.300 -0.113 0.000 1.149 304 R CA 0.695 56.752 56.100 -0.071 0.000 0.995 304 R CB -0.454 29.826 30.300 -0.033 0.000 1.008 304 R HN 0.327 nan 8.270 nan 0.000 0.470 305 G N 1.145 109.881 108.800 -0.107 0.000 2.142 305 G HA2 -0.248 3.712 3.960 0.000 0.000 0.225 305 G HA3 -0.248 3.712 3.960 0.000 0.000 0.225 305 G C 0.084 174.882 174.900 -0.169 0.000 1.015 305 G CA 0.036 45.069 45.100 -0.112 0.000 0.716 305 G HN 0.786 nan 8.290 nan 0.000 0.508 306 A N -1.049 121.651 122.820 -0.200 0.000 2.352 306 A HA 0.968 5.288 4.320 0.000 0.000 0.299 306 A C 0.259 177.764 177.584 -0.131 0.000 1.160 306 A CA 0.184 52.073 52.037 -0.247 0.000 0.933 306 A CB 1.296 20.072 19.000 -0.373 0.000 1.387 306 A HN 0.780 nan 8.150 nan 0.000 0.487 307 T N 0.857 115.354 114.554 -0.094 0.000 2.892 307 T HA 0.477 4.828 4.350 0.000 0.000 0.311 307 T C -0.792 173.761 174.700 -0.245 0.000 1.033 307 T CA -0.199 61.810 62.100 -0.152 0.000 0.991 307 T CB 0.753 69.563 68.868 -0.097 0.000 0.981 307 T HN 0.451 nan 8.240 nan 0.000 0.457 308 V N 5.436 125.184 119.914 -0.277 0.000 2.498 308 V HA 0.371 4.491 4.120 0.000 0.000 0.279 308 V C 0.020 175.776 176.094 -0.563 0.000 1.048 308 V CA -0.583 61.550 62.300 -0.278 0.000 0.967 308 V CB 0.579 32.357 31.823 -0.075 0.000 0.988 308 V HN 0.790 nan 8.190 nan 0.000 0.473 309 H N 4.646 123.425 119.070 -0.485 0.000 2.600 309 H HA 0.507 5.063 4.556 0.000 0.000 0.357 309 H C -0.580 174.479 175.328 -0.449 0.000 1.106 309 H CA -0.881 54.868 56.048 -0.499 0.000 1.193 309 H CB 2.097 31.405 29.762 -0.757 0.000 1.594 309 H HN 0.495 nan 8.280 nan 0.000 0.526 310 R N 3.275 123.709 120.500 -0.110 0.000 2.198 310 R HA 0.308 4.648 4.340 0.000 0.000 0.339 310 R C 0.200 176.496 176.300 -0.008 0.000 1.020 310 R CA -0.635 55.414 56.100 -0.085 0.000 0.864 310 R CB 0.726 30.990 30.300 -0.060 0.000 1.105 310 R HN 0.524 nan 8.270 nan 0.000 0.463 311 I N 5.068 125.661 120.570 0.038 0.000 2.578 311 I HA -0.138 4.032 4.170 0.000 0.000 0.286 311 I C 1.968 178.104 176.117 0.033 0.000 1.126 311 I CA 0.076 61.436 61.300 0.100 0.000 1.380 311 I CB 0.330 38.417 38.000 0.145 0.000 1.408 311 I HN 0.490 nan 8.210 nan 0.000 0.532 312 L N 5.820 127.062 121.223 0.033 0.000 1.956 312 L HA -0.193 4.147 4.340 0.000 0.000 0.216 312 L C 2.510 179.386 176.870 0.011 0.000 1.073 312 L CA 2.011 56.860 54.840 0.014 0.000 0.762 312 L CB -0.900 41.165 42.059 0.009 0.000 0.889 312 L HN 0.846 nan 8.230 nan 0.000 0.433 313 G N -1.195 107.610 108.800 0.008 0.000 2.498 313 G HA2 -0.211 3.749 3.960 0.000 0.000 0.219 313 G HA3 -0.211 3.749 3.960 0.000 0.000 0.219 313 G C 1.416 176.355 174.900 0.065 0.000 1.119 313 G CA 0.457 45.559 45.100 0.003 0.000 0.766 313 G HN 0.513 nan 8.290 nan 0.000 0.552 314 Q N -1.360 118.475 119.800 0.057 0.000 2.317 314 Q HA 0.126 4.466 4.340 0.000 0.000 0.220 314 Q C 0.717 176.725 176.000 0.013 0.000 0.873 314 Q CA -0.093 55.746 55.803 0.060 0.000 0.936 314 Q CB 0.613 29.327 28.738 -0.041 0.000 1.105 314 Q HN 0.224 nan 8.270 nan 0.000 0.520 315 Q N -1.124 118.683 119.800 0.011 0.000 2.424 315 Q HA -0.135 4.205 4.340 0.000 0.000 0.234 315 Q C -0.313 175.612 176.000 -0.125 0.000 0.748 315 Q CA 1.224 57.015 55.803 -0.020 0.000 1.286 315 Q CB -2.471 26.293 28.738 0.044 0.000 1.494 315 Q HN 0.378 nan 8.270 nan 0.000 0.683 316 V N -2.962 116.820 119.914 -0.219 0.000 2.914 316 V HA 0.916 5.037 4.120 0.000 0.000 0.314 316 V C -2.420 173.493 176.094 -0.302 0.000 1.084 316 V CA -2.107 59.980 62.300 -0.356 0.000 0.963 316 V CB 2.570 33.944 31.823 -0.750 0.000 1.025 316 V HN -0.131 nan 8.190 nan 0.000 0.432 317 P HA 0.585 nan 4.420 nan 0.000 0.284 317 P C -1.926 175.228 177.300 -0.243 0.000 1.287 317 P CA -0.270 62.635 63.100 -0.325 0.000 0.824 317 P CB 1.532 32.960 31.700 -0.454 0.000 1.180 318 Y N -2.945 117.202 120.300 -0.255 0.000 2.592 318 Y HA 0.757 5.308 4.550 0.000 0.000 0.334 318 Y C -2.139 173.706 175.900 -0.091 0.000 1.136 318 Y CA -1.635 56.287 58.100 -0.297 0.000 1.042 318 Y CB 0.457 38.577 38.460 -0.567 0.000 1.325 318 Y HN 0.656 nan 8.280 nan 0.000 0.457 319 A N 1.618 124.579 122.820 0.235 0.000 2.454 319 A HA 0.877 5.197 4.320 0.000 0.000 0.302 319 A C -0.977 176.798 177.584 0.318 0.000 1.079 319 A CA -0.406 51.803 52.037 0.286 0.000 0.731 319 A CB 1.884 21.152 19.000 0.446 0.000 1.299 319 A HN 1.234 nan 8.150 nan 0.000 0.413 320 T N 0.131 114.890 114.554 0.342 0.000 2.916 320 T HA 0.672 5.022 4.350 0.000 0.000 0.305 320 T C -1.439 173.380 174.700 0.198 0.000 1.119 320 T CA -0.533 61.808 62.100 0.402 0.000 1.008 320 T CB 1.155 70.295 68.868 0.454 0.000 1.129 320 T HN 0.845 nan 8.240 nan 0.000 0.480 321 K N 2.573 123.093 120.400 0.199 0.000 2.571 321 K HA 0.520 4.840 4.320 0.000 0.000 0.252 321 K C 0.564 177.229 176.600 0.108 0.000 0.956 321 K CA 0.207 56.472 56.287 -0.037 0.000 0.822 321 K CB 0.984 33.180 32.500 -0.507 0.000 1.286 321 K HN 1.135 nan 8.250 nan 0.000 0.439 322 G N 3.526 112.380 108.800 0.089 0.000 2.622 322 G HA2 -0.403 3.557 3.960 0.000 0.000 0.307 322 G HA3 -0.403 3.557 3.960 0.000 0.000 0.307 322 G C 0.106 175.105 174.900 0.165 0.000 1.226 322 G CA 0.696 45.863 45.100 0.110 0.000 0.997 322 G HN 0.878 nan 8.290 nan 0.000 0.551 323 N N 1.116 119.919 118.700 0.172 0.000 2.279 323 N HA 0.194 4.934 4.740 0.000 0.000 0.226 323 N C 0.215 175.875 175.510 0.249 0.000 1.126 323 N CA 0.430 53.592 53.050 0.186 0.000 0.846 323 N CB 0.510 39.077 38.487 0.134 0.000 1.050 323 N HN 0.562 nan 8.380 nan 0.000 0.502 324 Q N 0.083 120.086 119.800 0.338 0.000 2.266 324 Q HA 0.360 4.700 4.340 0.000 0.000 0.261 324 Q C -1.468 174.854 176.000 0.537 0.000 0.985 324 Q CA -0.301 55.740 55.803 0.397 0.000 0.873 324 Q CB 2.042 31.047 28.738 0.444 0.000 1.306 324 Q HN 0.448 nan 8.270 nan 0.000 0.447 325 W N 2.087 123.531 121.300 0.242 0.000 2.900 325 W HA 0.565 5.225 4.660 0.000 0.000 0.336 325 W C -1.652 174.972 176.519 0.175 0.000 1.064 325 W CA -0.707 56.807 57.345 0.283 0.000 1.237 325 W CB 1.250 30.861 29.460 0.252 0.000 1.391 325 W HN 0.344 nan 8.180 nan 0.000 0.468 326 V N 6.153 126.041 119.914 -0.043 0.000 2.623 326 V HA 0.833 4.953 4.120 0.000 0.000 0.304 326 V C -0.478 175.542 176.094 -0.125 0.000 1.054 326 V CA -0.475 61.791 62.300 -0.057 0.000 0.882 326 V CB 1.638 33.309 31.823 -0.253 0.000 1.002 326 V HN 0.724 nan 8.190 nan 0.000 0.424 327 G N 6.336 115.148 108.800 0.019 0.000 2.377 327 G HA2 0.592 4.552 3.960 0.000 0.000 0.316 327 G HA3 0.592 4.552 3.960 0.000 0.000 0.316 327 G C -1.011 173.835 174.900 -0.090 0.000 1.115 327 G CA -0.178 44.897 45.100 -0.043 0.000 0.952 327 G HN 1.097 nan 8.290 nan 0.000 0.441 328 Y N -0.182 120.132 120.300 0.023 0.000 2.857 328 Y HA 0.751 5.302 4.550 0.000 0.000 0.318 328 Y C -0.703 175.326 175.900 0.215 0.000 1.313 328 Y CA -1.958 56.181 58.100 0.066 0.000 1.117 328 Y CB 1.141 39.633 38.460 0.054 0.000 1.344 328 Y HN 0.264 nan 8.280 nan 0.000 0.525 329 D N 0.586 121.041 120.400 0.091 0.000 2.342 329 D HA 0.320 4.960 4.640 0.000 0.000 0.243 329 D C -1.493 174.786 176.300 -0.035 0.000 1.019 329 D CA -0.126 53.841 54.000 -0.054 0.000 0.864 329 D CB 2.234 42.999 40.800 -0.058 0.000 1.315 329 D HN 0.747 nan 8.370 nan 0.000 0.468 330 D N -0.483 119.866 120.400 -0.085 0.000 2.636 330 D HA 0.092 4.733 4.640 0.000 0.000 0.275 330 D C 0.730 176.998 176.300 -0.053 0.000 1.130 330 D CA -0.395 53.575 54.000 -0.049 0.000 1.031 330 D CB 0.696 41.604 40.800 0.180 0.000 1.451 330 D HN 0.143 nan 8.370 nan 0.000 0.505 331 Q N -0.220 119.583 119.800 0.004 0.000 2.077 331 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 331 Q C 1.675 177.682 176.000 0.011 0.000 0.989 331 Q CA 2.041 57.855 55.803 0.020 0.000 0.853 331 Q CB -0.030 28.747 28.738 0.065 0.000 0.907 331 Q HN 0.657 nan 8.270 nan 0.000 0.418 332 E N 0.198 120.407 120.200 0.015 0.000 2.077 332 E HA -0.202 4.148 4.350 0.000 0.000 0.193 332 E C 2.137 178.728 176.600 -0.015 0.000 0.989 332 E CA 1.480 57.883 56.400 0.005 0.000 0.800 332 E CB 0.035 29.738 29.700 0.004 0.000 0.746 332 E HN 0.390 nan 8.360 nan 0.000 0.452 333 S N 0.103 115.779 115.700 -0.041 0.000 2.406 333 S HA -0.123 4.347 4.470 0.000 0.000 0.228 333 S C 2.230 176.798 174.600 -0.053 0.000 1.020 333 S CA 1.232 59.392 58.200 -0.066 0.000 0.965 333 S CB -0.568 62.561 63.200 -0.119 0.000 0.798 333 S HN 0.266 nan 8.310 nan 0.000 0.488 334 V N 0.430 120.319 119.914 -0.042 0.000 2.453 334 V HA -0.001 4.119 4.120 0.000 0.000 0.247 334 V C 2.545 178.632 176.094 -0.011 0.000 1.048 334 V CA 1.883 64.167 62.300 -0.027 0.000 1.049 334 V CB -1.215 30.595 31.823 -0.021 0.000 0.672 334 V HN 0.513 nan 8.190 nan 0.000 0.457 335 K N 0.919 121.316 120.400 -0.004 0.000 2.032 335 K HA -0.180 4.140 4.320 0.000 0.000 0.209 335 K C 2.334 178.942 176.600 0.013 0.000 1.048 335 K CA 2.043 58.333 56.287 0.005 0.000 0.927 335 K CB -0.362 32.145 32.500 0.012 0.000 0.712 335 K HN 0.556 nan 8.250 nan 0.000 0.441 336 S N 0.856 116.565 115.700 0.014 0.000 2.383 336 S HA -0.105 4.365 4.470 0.000 0.000 0.229 336 S C 1.668 176.297 174.600 0.048 0.000 1.030 336 S CA 1.275 59.498 58.200 0.038 0.000 1.002 336 S CB -0.104 63.112 63.200 0.027 0.000 0.829 336 S HN 0.343 nan 8.310 nan 0.000 0.467 337 K N 0.629 121.034 120.400 0.009 0.000 2.097 337 K HA 0.011 4.332 4.320 0.000 0.000 0.205 337 K C 2.027 178.661 176.600 0.058 0.000 1.050 337 K CA 0.981 57.276 56.287 0.014 0.000 0.938 337 K CB -0.313 32.172 32.500 -0.025 0.000 0.718 337 K HN 0.208 nan 8.250 nan 0.000 0.442 338 V N 1.539 121.460 119.914 0.012 0.000 2.427 338 V HA -0.236 3.884 4.120 0.000 0.000 0.248 338 V C 2.251 178.324 176.094 -0.036 0.000 1.051 338 V CA 1.579 63.856 62.300 -0.039 0.000 1.048 338 V CB -0.430 31.352 31.823 -0.069 0.000 0.666 338 V HN 0.314 nan 8.190 nan 0.000 0.456 339 Q N -1.026 118.783 119.800 0.015 0.000 2.030 339 Q HA -0.262 4.078 4.340 0.000 0.000 0.204 339 Q C 2.185 178.216 176.000 0.052 0.000 0.986 339 Q CA 2.492 58.313 55.803 0.031 0.000 0.843 339 Q CB -0.395 28.381 28.738 0.064 0.000 0.904 339 Q HN 0.783 nan 8.270 nan 0.000 0.420 340 Y N 1.260 121.556 120.300 -0.006 0.000 2.165 340 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 340 Y C 1.825 177.720 175.900 -0.009 0.000 1.155 340 Y CA 1.711 59.815 58.100 0.007 0.000 1.164 340 Y CB -0.152 38.281 38.460 -0.045 0.000 0.978 340 Y HN 0.220 nan 8.280 nan 0.000 0.513 341 L N -0.890 120.329 121.223 -0.006 0.000 2.217 341 L HA 0.040 4.380 4.340 0.000 0.000 0.211 341 L C 1.920 178.716 176.870 -0.123 0.000 1.107 341 L CA 1.475 56.263 54.840 -0.086 0.000 0.783 341 L CB -0.689 41.370 42.059 0.001 0.000 0.919 341 L HN -0.097 nan 8.230 nan 0.000 0.442 342 K N 0.415 120.747 120.400 -0.114 0.000 2.031 342 K HA -0.082 4.238 4.320 0.000 0.000 0.205 342 K C 1.758 178.343 176.600 -0.025 0.000 1.049 342 K CA 1.442 57.706 56.287 -0.037 0.000 0.939 342 K CB -0.370 32.108 32.500 -0.037 0.000 0.717 342 K HN 0.322 nan 8.250 nan 0.000 0.438 343 D N 0.725 121.077 120.400 -0.079 0.000 2.190 343 D HA -0.161 4.479 4.640 0.000 0.000 0.200 343 D C 1.810 178.034 176.300 -0.127 0.000 0.992 343 D CA 1.000 54.950 54.000 -0.084 0.000 0.854 343 D CB -0.049 40.693 40.800 -0.097 0.000 0.936 343 D HN 0.050 nan 8.370 nan 0.000 0.462 344 R N 0.307 120.673 120.500 -0.223 0.000 2.276 344 R HA 0.040 4.380 4.340 0.000 0.000 0.203 344 R C 0.257 176.509 176.300 -0.080 0.000 1.017 344 R CA 0.121 56.096 56.100 -0.209 0.000 1.010 344 R CB -0.139 29.945 30.300 -0.361 0.000 0.900 344 R HN 0.388 nan 8.270 nan 0.000 0.469 345 Q N 0.718 120.504 119.800 -0.023 0.000 2.459 345 Q HA -0.160 4.180 4.340 0.000 0.000 0.314 345 Q C -0.840 175.196 176.000 0.059 0.000 1.432 345 Q CA 0.375 56.208 55.803 0.050 0.000 0.823 345 Q CB -1.931 26.822 28.738 0.025 0.000 1.124 345 Q HN 0.263 nan 8.270 nan 0.000 0.392 346 L N -0.900 120.368 121.223 0.075 0.000 2.375 346 L HA 0.535 4.876 4.340 0.000 0.000 0.268 346 L C 1.639 178.587 176.870 0.131 0.000 1.058 346 L CA 0.095 54.978 54.840 0.072 0.000 0.803 346 L CB 0.808 42.892 42.059 0.042 0.000 1.212 346 L HN 0.406 nan 8.230 nan 0.000 0.451 347 A N 1.700 124.577 122.820 0.096 0.000 1.986 347 A HA 0.177 4.497 4.320 0.000 0.000 0.220 347 A C 1.006 178.667 177.584 0.129 0.000 1.171 347 A CA 1.839 53.934 52.037 0.096 0.000 0.640 347 A CB -0.431 18.597 19.000 0.047 0.000 0.811 347 A HN 1.027 nan 8.150 nan 0.000 0.451 348 G N -3.371 105.472 108.800 0.072 0.000 2.368 348 G HA2 0.573 4.533 3.960 0.000 0.000 0.269 348 G HA3 0.573 4.533 3.960 0.000 0.000 0.269 348 G C -0.781 174.110 174.900 -0.014 0.000 1.291 348 G CA -0.135 44.979 45.100 0.022 0.000 0.903 348 G HN 1.267 nan 8.290 nan 0.000 0.483 349 A N -0.376 122.430 122.820 -0.024 0.000 2.330 349 A HA 0.870 5.190 4.320 0.000 0.000 0.329 349 A C -0.197 177.413 177.584 0.044 0.000 1.135 349 A CA -0.477 51.571 52.037 0.018 0.000 0.817 349 A CB 1.759 20.766 19.000 0.012 0.000 1.269 349 A HN 1.469 nan 8.150 nan 0.000 0.469 350 M N 2.370 122.045 119.600 0.125 0.000 2.395 350 M HA 0.595 5.075 4.480 0.000 0.000 0.307 350 M C -2.166 174.307 176.300 0.288 0.000 1.091 350 M CA -0.560 54.866 55.300 0.211 0.000 0.919 350 M CB 1.511 34.296 32.600 0.308 0.000 1.662 350 M HN 0.387 nan 8.290 nan 0.000 0.440 351 V N 5.511 125.607 119.914 0.302 0.000 2.448 351 V HA 0.490 4.610 4.120 0.000 0.000 0.295 351 V C -1.284 175.043 176.094 0.387 0.000 1.025 351 V CA -0.541 61.936 62.300 0.295 0.000 0.859 351 V CB 2.030 33.958 31.823 0.176 0.000 0.988 351 V HN 0.855 nan 8.190 nan 0.000 0.431 352 W N 6.460 127.902 121.300 0.236 0.000 2.424 352 W HA 0.801 5.461 4.660 0.000 0.000 0.318 352 W C -0.647 175.952 176.519 0.133 0.000 1.016 352 W CA -0.545 56.895 57.345 0.159 0.000 1.268 352 W CB 1.684 31.164 29.460 0.033 0.000 1.297 352 W HN 0.678 nan 8.180 nan 0.000 0.428 353 A N 5.088 127.757 122.820 -0.251 0.000 2.532 353 A HA 0.520 4.840 4.320 0.000 0.000 0.290 353 A C 0.100 177.558 177.584 -0.210 0.000 1.143 353 A CA -0.648 51.023 52.037 -0.610 0.000 0.728 353 A CB 1.488 19.718 19.000 -1.283 0.000 1.317 353 A HN 0.650 nan 8.150 nan 0.000 0.414 354 L N -0.263 120.870 121.223 -0.151 0.000 2.093 354 L HA -0.117 4.223 4.340 0.000 0.000 0.208 354 L C 1.658 178.581 176.870 0.089 0.000 1.085 354 L CA 2.049 56.957 54.840 0.115 0.000 0.755 354 L CB -0.401 41.762 42.059 0.175 0.000 0.904 354 L HN 0.975 nan 8.230 nan 0.000 0.435 355 D N -0.757 119.516 120.400 -0.211 0.000 2.363 355 D HA -0.105 4.535 4.640 0.000 0.000 0.226 355 D C 1.633 177.872 176.300 -0.102 0.000 1.020 355 D CA 0.618 54.387 54.000 -0.385 0.000 0.892 355 D CB -0.111 40.309 40.800 -0.632 0.000 0.900 355 D HN 0.305 nan 8.370 nan 0.000 0.531 356 L N -0.745 120.474 121.223 -0.006 0.000 2.664 356 L HA 0.222 4.562 4.340 0.000 0.000 0.233 356 L C 0.902 177.878 176.870 0.175 0.000 1.113 356 L CA -0.307 54.568 54.840 0.057 0.000 0.896 356 L CB 0.147 42.226 42.059 0.034 0.000 1.163 356 L HN 0.009 nan 8.230 nan 0.000 0.497 357 D N 0.523 121.083 120.400 0.267 0.000 2.433 357 D HA -0.031 4.609 4.640 0.000 0.000 0.255 357 D C -0.354 176.189 176.300 0.405 0.000 1.226 357 D CA -0.151 54.046 54.000 0.329 0.000 1.015 357 D CB 1.183 42.178 40.800 0.326 0.000 1.091 357 D HN -0.116 nan 8.370 nan 0.000 0.527 358 D N 0.272 120.844 120.400 0.288 0.000 2.631 358 D HA 0.045 4.685 4.640 0.000 0.000 0.227 358 D C 1.053 177.193 176.300 -0.265 0.000 1.146 358 D CA -0.429 53.624 54.000 0.088 0.000 1.009 358 D CB -0.965 39.881 40.800 0.078 0.000 1.057 358 D HN 0.308 nan 8.370 nan 0.000 0.509 359 F N 0.765 120.400 119.950 -0.525 0.000 2.171 359 F HA -0.119 4.408 4.527 0.000 0.000 0.300 359 F C 1.793 177.239 175.800 -0.590 0.000 1.090 359 F CA 0.792 58.116 58.000 -1.127 0.000 1.293 359 F CB -0.632 37.889 39.000 -0.798 0.000 1.013 359 F HN 0.142 nan 8.300 nan 0.000 0.486 360 Q N 1.059 120.069 119.800 -1.317 0.000 2.016 360 Q HA 0.050 4.390 4.340 0.000 0.000 0.200 360 Q C 2.156 177.914 176.000 -0.403 0.000 0.978 360 Q CA 1.781 57.119 55.803 -0.775 0.000 0.833 360 Q CB -0.954 27.315 28.738 -0.782 0.000 0.895 360 Q HN 0.762 nan 8.270 nan 0.000 0.427 361 G N 0.050 108.644 108.800 -0.343 0.000 2.163 361 G HA2 -0.272 3.688 3.960 0.000 0.000 0.213 361 G HA3 -0.272 3.688 3.960 0.000 0.000 0.213 361 G C 1.009 175.827 174.900 -0.136 0.000 0.991 361 G CA 0.915 45.913 45.100 -0.170 0.000 0.653 361 G HN 0.457 nan 8.290 nan 0.000 0.518 362 S N -0.084 115.494 115.700 -0.204 0.000 2.355 362 S HA 0.233 4.704 4.470 0.000 0.000 0.216 362 S C 1.907 176.379 174.600 -0.213 0.000 1.037 362 S CA 1.474 59.511 58.200 -0.271 0.000 0.955 362 S CB -0.550 62.354 63.200 -0.494 0.000 0.877 362 S HN 0.369 nan 8.310 nan 0.000 0.488 363 F N 1.771 121.600 119.950 -0.202 0.000 2.063 363 F HA -0.152 4.375 4.527 0.000 0.000 0.298 363 F C 2.650 178.375 175.800 -0.125 0.000 1.105 363 F CA 0.908 58.826 58.000 -0.137 0.000 1.215 363 F CB -1.170 37.765 39.000 -0.109 0.000 0.972 363 F HN 0.298 nan 8.300 nan 0.000 0.483 364 c N 0.651 119.291 118.600 0.067 0.000 2.524 364 c HA 0.531 5.101 4.570 0.000 0.000 0.301 364 c C 1.164 175.252 174.090 -0.003 0.000 1.296 364 c CA 0.453 56.769 56.329 -0.022 0.000 1.683 364 c CB -2.182 40.278 42.510 -0.083 0.000 1.764 364 c HN 0.789 nan 8.230 nan 0.000 0.597 365 G N 0.263 109.053 108.800 -0.017 0.000 2.796 365 G HA2 -0.118 3.842 3.960 0.000 0.000 0.571 365 G HA3 -0.118 3.842 3.960 0.000 0.000 0.571 365 G C 0.021 174.913 174.900 -0.012 0.000 1.370 365 G CA 0.214 45.303 45.100 -0.019 0.000 0.856 365 G HN 0.355 nan 8.290 nan 0.000 0.538 366 Q N -0.904 118.890 119.800 -0.011 0.000 2.264 366 Q HA -0.219 4.121 4.340 0.000 0.000 0.207 366 Q C 1.181 177.174 176.000 -0.012 0.000 0.702 366 Q CA 2.615 58.416 55.803 -0.003 0.000 1.411 366 Q CB -1.348 27.399 28.738 0.016 0.000 1.717 366 Q HN 1.319 nan 8.270 nan 0.000 0.683 367 D N -1.684 118.697 120.400 -0.032 0.000 3.059 367 D HA -0.202 4.438 4.640 0.000 0.000 0.222 367 D C -0.072 176.213 176.300 -0.025 0.000 1.185 367 D CA 1.303 55.274 54.000 -0.048 0.000 0.904 367 D CB -0.940 39.830 40.800 -0.051 0.000 1.122 367 D HN 0.439 nan 8.370 nan 0.000 0.410 368 L N -0.816 120.408 121.223 0.002 0.000 2.350 368 L HA 0.493 4.833 4.340 0.000 0.000 0.275 368 L C 0.710 177.603 176.870 0.038 0.000 1.099 368 L CA -0.340 54.521 54.840 0.035 0.000 0.808 368 L CB 0.353 42.445 42.059 0.055 0.000 1.149 368 L HN 0.002 nan 8.230 nan 0.000 0.442 369 R N 1.127 121.675 120.500 0.080 0.000 2.536 369 R HA 0.625 4.965 4.340 0.000 0.000 0.279 369 R C -0.951 175.488 176.300 0.231 0.000 1.001 369 R CA -0.797 55.336 56.100 0.054 0.000 1.027 369 R CB 0.341 30.685 30.300 0.074 0.000 1.096 369 R HN 0.471 nan 8.270 nan 0.000 0.502 370 F N -0.150 119.883 119.950 0.139 0.000 2.688 370 F HA -0.133 4.394 4.527 0.000 0.000 0.276 370 F C -1.594 174.292 175.800 0.144 0.000 1.034 370 F CA 0.142 58.239 58.000 0.160 0.000 0.991 370 F CB -1.022 38.061 39.000 0.139 0.000 1.119 370 F HN 0.634 nan 8.300 nan 0.000 0.837 371 P HA -0.132 nan 4.420 nan 0.000 0.217 371 P C 1.835 179.255 177.300 0.201 0.000 1.154 371 P CA 1.361 64.598 63.100 0.229 0.000 0.841 371 P CB 0.402 32.260 31.700 0.262 0.000 0.788 372 L N -0.486 120.854 121.223 0.195 0.000 1.988 372 L HA -0.102 4.238 4.340 0.000 0.000 0.207 372 L C 2.681 179.616 176.870 0.109 0.000 1.071 372 L CA 2.127 57.008 54.840 0.068 0.000 0.744 372 L CB -1.638 40.384 42.059 -0.061 0.000 0.893 372 L HN 0.001 nan 8.230 nan 0.000 0.433 373 T N -0.530 114.135 114.554 0.184 0.000 2.720 373 T HA -0.172 4.178 4.350 0.000 0.000 0.268 373 T C 1.747 176.523 174.700 0.127 0.000 1.037 373 T CA 1.294 63.490 62.100 0.160 0.000 1.144 373 T CB -0.284 68.707 68.868 0.205 0.000 0.864 373 T HN 0.277 nan 8.240 nan 0.000 0.444 374 N N 1.060 119.857 118.700 0.163 0.000 2.120 374 N HA -0.034 4.706 4.740 0.000 0.000 0.188 374 N C 2.209 177.773 175.510 0.089 0.000 1.024 374 N CA 1.290 54.413 53.050 0.123 0.000 0.852 374 N CB -0.346 38.229 38.487 0.147 0.000 1.003 374 N HN 0.418 nan 8.380 nan 0.000 0.424 375 A N 1.540 124.413 122.820 0.088 0.000 1.908 375 A HA -0.113 4.207 4.320 0.000 0.000 0.218 375 A C 2.317 179.927 177.584 0.043 0.000 1.181 375 A CA 0.931 53.004 52.037 0.061 0.000 0.627 375 A CB -0.621 18.411 19.000 0.053 0.000 0.818 375 A HN 0.226 nan 8.150 nan 0.000 0.445 376 I N -0.594 120.002 120.570 0.044 0.000 2.179 376 I HA -0.278 3.892 4.170 0.000 0.000 0.242 376 I C 2.610 178.739 176.117 0.019 0.000 1.088 376 I CA 1.946 63.261 61.300 0.026 0.000 1.357 376 I CB -0.331 37.691 38.000 0.036 0.000 1.051 376 I HN 0.449 nan 8.210 nan 0.000 0.409 377 K N 1.086 121.509 120.400 0.038 0.000 2.009 377 K HA -0.246 4.074 4.320 0.000 0.000 0.210 377 K C 1.714 178.339 176.600 0.041 0.000 1.049 377 K CA 2.211 58.523 56.287 0.041 0.000 0.929 377 K CB -0.132 32.399 32.500 0.051 0.000 0.714 377 K HN 0.192 nan 8.250 nan 0.000 0.440 378 D N 0.536 120.962 120.400 0.043 0.000 2.116 378 D HA -0.190 4.450 4.640 0.000 0.000 0.193 378 D C 1.834 178.154 176.300 0.032 0.000 0.998 378 D CA 1.639 55.664 54.000 0.041 0.000 0.836 378 D CB -0.419 40.406 40.800 0.042 0.000 0.951 378 D HN 0.418 nan 8.370 nan 0.000 0.449 379 A N 0.475 123.306 122.820 0.018 0.000 1.933 379 A HA -0.126 4.195 4.320 0.000 0.000 0.218 379 A C 2.408 179.979 177.584 -0.022 0.000 1.175 379 A CA 0.954 52.992 52.037 0.001 0.000 0.628 379 A CB -0.768 18.226 19.000 -0.010 0.000 0.814 379 A HN 0.221 nan 8.150 nan 0.000 0.444 380 L N -0.953 120.244 121.223 -0.043 0.000 2.093 380 L HA -0.155 4.185 4.340 0.000 0.000 0.208 380 L C 2.975 179.907 176.870 0.104 0.000 1.085 380 L CA 0.965 55.745 54.840 -0.099 0.000 0.755 380 L CB -0.388 41.615 42.059 -0.094 0.000 0.904 380 L HN 0.425 nan 8.230 nan 0.000 0.435 381 A N -0.265 122.616 122.820 0.102 0.000 2.066 381 A HA 0.246 4.566 4.320 0.000 0.000 0.218 381 A C 1.227 178.872 177.584 0.102 0.000 1.157 381 A CA 0.983 53.091 52.037 0.120 0.000 0.670 381 A CB -0.362 18.686 19.000 0.080 0.000 0.804 381 A HN 0.310 nan 8.150 nan 0.000 0.453 382 A N -0.538 122.330 122.820 0.079 0.000 2.340 382 A HA 0.692 5.012 4.320 0.000 0.000 0.331 382 A C 0.190 177.817 177.584 0.071 0.000 1.140 382 A CA 0.224 52.300 52.037 0.065 0.000 0.801 382 A CB 0.812 19.839 19.000 0.045 0.000 1.234 382 A HN 0.670 nan 8.150 nan 0.000 0.469 383 T N 0.000 114.593 114.554 0.065 0.000 3.816 383 T HA 0.000 4.350 4.350 0.000 0.000 0.228 383 T CA 0.000 62.137 62.100 0.062 0.000 1.349 383 T CB 0.000 68.915 68.868 0.078 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658