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 2exh_1_C DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.603 176.600 0.005 0.000 0.988 3 K CA 0.000 56.291 56.287 0.006 0.000 0.838 3 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 4 I N 3.384 123.964 120.570 0.016 0.000 2.304 4 I HA 0.186 4.356 4.170 0.000 0.000 0.291 4 I C -0.343 175.797 176.117 0.038 0.000 1.018 4 I CA -0.385 60.928 61.300 0.021 0.000 1.260 4 I CB 1.268 39.276 38.000 0.014 0.000 1.390 4 I HN 0.022 nan 8.210 nan 0.000 0.475 5 K N 6.179 126.600 120.400 0.036 0.000 2.211 5 K HA 0.293 4.613 4.320 0.000 0.000 0.275 5 K C -0.420 176.201 176.600 0.035 0.000 1.024 5 K CA -0.669 55.642 56.287 0.040 0.000 0.887 5 K CB 0.771 33.295 32.500 0.040 0.000 1.084 5 K HN 0.490 nan 8.250 nan 0.000 0.463 6 N N 4.461 123.184 118.700 0.038 0.000 2.530 6 N HA 0.289 5.029 4.740 0.000 0.000 0.277 6 N C -2.489 173.037 175.510 0.026 0.000 1.168 6 N CA -1.303 51.759 53.050 0.020 0.000 0.979 6 N CB 1.124 39.634 38.487 0.039 0.000 1.141 6 N HN 0.457 nan 8.380 nan 0.000 0.459 7 P HA 0.265 nan 4.420 nan 0.000 0.288 7 P C 1.067 178.296 177.300 -0.119 0.000 1.267 7 P CA -0.506 62.547 63.100 -0.077 0.000 0.815 7 P CB 0.893 32.538 31.700 -0.093 0.000 0.989 8 I N 0.291 120.763 120.570 -0.163 0.000 2.286 8 I HA -0.077 4.093 4.170 0.000 0.000 0.248 8 I C 0.401 176.310 176.117 -0.347 0.000 1.115 8 I CA 1.363 62.555 61.300 -0.180 0.000 1.392 8 I CB -0.589 37.292 38.000 -0.199 0.000 1.065 8 I HN 0.115 nan 8.210 nan 0.000 0.418 9 L N 3.156 124.074 121.223 -0.508 0.000 2.324 9 L HA 0.366 4.706 4.340 0.000 0.000 0.274 9 L C 0.236 176.775 176.870 -0.551 0.000 1.012 9 L CA -0.600 53.774 54.840 -0.777 0.000 0.859 9 L CB 1.387 42.705 42.059 -1.235 0.000 1.224 9 L HN 0.199 nan 8.230 nan 0.000 0.429 10 T N -0.279 114.029 114.554 -0.411 0.000 2.868 10 T HA 0.699 5.049 4.350 0.000 0.000 0.292 10 T C 0.676 175.290 174.700 -0.144 0.000 1.028 10 T CA 0.275 62.217 62.100 -0.263 0.000 1.059 10 T CB 1.750 70.424 68.868 -0.323 0.000 0.991 10 T HN 0.932 nan 8.240 nan 0.000 0.531 11 G N 1.195 109.934 108.800 -0.102 0.000 2.855 11 G HA2 -0.107 3.853 3.960 0.000 0.000 0.352 11 G HA3 -0.107 3.853 3.960 0.000 0.000 0.352 11 G C -0.377 174.599 174.900 0.127 0.000 1.415 11 G CA -0.392 44.689 45.100 -0.031 0.000 0.871 11 G HN 1.549 nan 8.290 nan 0.000 0.543 12 F N 2.099 121.964 119.950 -0.142 0.000 2.408 12 F HA 0.366 4.893 4.527 0.000 0.000 0.361 12 F C 0.729 176.347 175.800 -0.303 0.000 1.108 12 F CA 0.340 58.258 58.000 -0.137 0.000 0.982 12 F CB -0.777 38.150 39.000 -0.122 0.000 0.980 12 F HN 0.531 nan 8.300 nan 0.000 0.557 13 H N 5.106 124.119 119.070 -0.094 0.000 2.695 13 H HA 0.311 4.867 4.556 0.000 0.000 0.222 13 H C -2.588 172.709 175.328 -0.052 0.000 1.412 13 H CA -1.347 54.570 56.048 -0.217 0.000 1.347 13 H CB 0.347 29.960 29.762 -0.248 0.000 1.858 13 H HN 0.345 nan 8.280 nan 0.000 0.519 14 P HA 0.089 nan 4.420 nan 0.000 0.277 14 P C -0.280 177.104 177.300 0.140 0.000 1.271 14 P CA -0.347 62.873 63.100 0.199 0.000 0.795 14 P CB 0.709 32.614 31.700 0.341 0.000 1.101 15 D N -1.540 118.938 120.400 0.130 0.000 3.038 15 D HA -0.116 4.524 4.640 0.000 0.000 0.229 15 D C -2.068 174.386 176.300 0.256 0.000 1.182 15 D CA 0.291 54.398 54.000 0.178 0.000 0.852 15 D CB -1.153 39.629 40.800 -0.030 0.000 0.932 15 D HN 0.324 nan 8.370 nan 0.000 0.406 16 P HA 0.078 nan 4.420 nan 0.000 0.276 16 P C -0.372 177.069 177.300 0.234 0.000 1.253 16 P CA -0.049 63.145 63.100 0.157 0.000 0.766 16 P CB 1.409 33.139 31.700 0.050 0.000 0.845 17 S N 4.226 120.055 115.700 0.216 0.000 2.520 17 S HA 0.458 4.928 4.470 0.000 0.000 0.324 17 S C -0.313 174.413 174.600 0.211 0.000 1.069 17 S CA -0.830 57.511 58.200 0.235 0.000 1.121 17 S CB -0.389 62.977 63.200 0.277 0.000 0.971 17 S HN 0.417 nan 8.310 nan 0.000 0.463 18 I N 5.021 125.727 120.570 0.227 0.000 2.359 18 I HA 0.567 4.737 4.170 0.000 0.000 0.294 18 I C -0.569 175.760 176.117 0.353 0.000 0.987 18 I CA -0.415 61.059 61.300 0.289 0.000 1.225 18 I CB 0.848 39.013 38.000 0.275 0.000 1.366 18 I HN 0.719 nan 8.210 nan 0.000 0.466 19 C N 8.180 127.748 119.300 0.447 0.000 2.441 19 C HA 0.573 5.033 4.460 0.000 0.000 0.318 19 C C -0.478 174.810 174.990 0.496 0.000 1.222 19 C CA -0.625 58.687 59.018 0.491 0.000 1.474 19 C CB 1.223 29.302 27.740 0.565 0.000 2.125 19 C HN 0.927 nan 8.230 nan 0.000 0.479 20 R N 4.453 125.161 120.500 0.346 0.000 2.387 20 R HA 0.733 5.073 4.340 0.000 0.000 0.314 20 R C -1.732 174.599 176.300 0.051 0.000 0.958 20 R CA -0.328 55.810 56.100 0.062 0.000 0.846 20 R CB 1.334 31.689 30.300 0.092 0.000 1.147 20 R HN 0.638 nan 8.270 nan 0.000 0.447 21 V N 5.777 125.644 119.914 -0.078 0.000 2.327 21 V HA 0.390 4.510 4.120 0.000 0.000 0.272 21 V C 0.976 176.927 176.094 -0.239 0.000 1.019 21 V CA 0.243 62.449 62.300 -0.157 0.000 0.814 21 V CB 0.498 32.180 31.823 -0.236 0.000 1.040 21 V HN 1.184 nan 8.190 nan 0.000 0.440 22 G N 4.715 113.392 108.800 -0.205 0.000 2.889 22 G HA2 -0.318 3.642 3.960 0.000 0.000 0.308 22 G HA3 -0.318 3.642 3.960 0.000 0.000 0.308 22 G C 0.612 175.294 174.900 -0.364 0.000 1.248 22 G CA 0.704 45.678 45.100 -0.210 0.000 0.982 22 G HN 0.858 nan 8.290 nan 0.000 0.571 23 D N 1.016 121.158 120.400 -0.429 0.000 2.469 23 D HA 0.195 4.835 4.640 0.000 0.000 0.213 23 D C -0.419 175.661 176.300 -0.365 0.000 1.135 23 D CA 0.193 53.877 54.000 -0.526 0.000 0.834 23 D CB 0.151 40.632 40.800 -0.532 0.000 1.009 23 D HN 0.394 nan 8.370 nan 0.000 0.507 24 D N 0.675 120.812 120.400 -0.437 0.000 2.210 24 D HA 0.235 4.875 4.640 0.000 0.000 0.249 24 D C -0.725 175.008 176.300 -0.945 0.000 1.062 24 D CA 0.017 53.787 54.000 -0.384 0.000 0.891 24 D CB 1.095 41.790 40.800 -0.175 0.000 1.186 24 D HN 0.111 nan 8.370 nan 0.000 0.432 25 Y N 0.925 120.906 120.300 -0.531 0.000 2.391 25 Y HA 0.364 4.914 4.550 0.000 0.000 0.341 25 Y C -0.616 175.135 175.900 -0.248 0.000 0.965 25 Y CA -0.952 56.920 58.100 -0.381 0.000 1.067 25 Y CB 1.430 39.795 38.460 -0.157 0.000 1.199 25 Y HN 0.216 nan 8.280 nan 0.000 0.450 26 Y N 2.634 123.266 120.300 0.553 0.000 2.477 26 Y HA 0.744 5.294 4.550 0.000 0.000 0.347 26 Y C -0.733 175.419 175.900 0.419 0.000 0.981 26 Y CA -1.336 57.062 58.100 0.498 0.000 1.033 26 Y CB 1.751 40.383 38.460 0.286 0.000 1.245 26 Y HN 0.349 nan 8.280 nan 0.000 0.455 27 I N 2.395 123.238 120.570 0.454 0.000 2.466 27 I HA 0.684 4.855 4.170 0.000 0.000 0.289 27 I C -0.621 175.612 176.117 0.194 0.000 1.026 27 I CA -1.028 60.391 61.300 0.198 0.000 1.078 27 I CB 1.917 39.831 38.000 -0.144 0.000 1.249 27 I HN 0.807 nan 8.210 nan 0.000 0.429 28 A N 6.528 129.441 122.820 0.154 0.000 2.292 28 A HA 0.751 5.071 4.320 0.000 0.000 0.319 28 A C -0.340 177.299 177.584 0.092 0.000 1.206 28 A CA -0.509 51.586 52.037 0.096 0.000 0.835 28 A CB 1.002 20.040 19.000 0.063 0.000 1.164 28 A HN 0.586 nan 8.150 nan 0.000 0.505 29 V N 1.164 121.113 119.914 0.059 0.000 2.850 29 V HA 0.832 4.952 4.120 0.000 0.000 0.315 29 V C 0.297 176.365 176.094 -0.043 0.000 1.064 29 V CA -0.300 62.015 62.300 0.025 0.000 0.979 29 V CB 1.332 33.165 31.823 0.016 0.000 1.039 29 V HN 1.105 nan 8.190 nan 0.000 0.452 30 S N 1.713 117.392 115.700 -0.036 0.000 2.592 30 S HA 0.470 4.940 4.470 0.000 0.000 0.271 30 S C 0.735 175.326 174.600 -0.016 0.000 1.326 30 S CA 0.188 58.323 58.200 -0.107 0.000 1.024 30 S CB 1.041 64.068 63.200 -0.289 0.000 0.921 30 S HN 1.391 nan 8.310 nan 0.000 0.527 31 T N -2.233 112.365 114.554 0.073 0.000 3.016 31 T HA 0.318 4.668 4.350 0.000 0.000 0.271 31 T C 0.548 175.689 174.700 0.734 0.000 0.968 31 T CA -0.195 62.150 62.100 0.409 0.000 0.891 31 T CB -0.825 68.139 68.868 0.161 0.000 1.149 31 T HN 0.535 nan 8.240 nan 0.000 0.524 32 F N 2.741 122.924 119.950 0.388 0.000 2.484 32 F HA -0.375 4.152 4.527 0.000 0.000 0.231 32 F C 1.999 177.938 175.800 0.232 0.000 1.469 32 F CA 2.124 60.315 58.000 0.317 0.000 1.998 32 F CB -1.173 37.984 39.000 0.263 0.000 0.484 32 F HN 0.337 nan 8.300 nan 0.000 0.213 33 E N 0.533 120.934 120.200 0.335 0.000 2.435 33 E HA -0.072 4.278 4.350 0.000 0.000 0.195 33 E C 0.204 176.794 176.600 -0.016 0.000 1.029 33 E CA 0.678 57.113 56.400 0.060 0.000 0.865 33 E CB -0.392 29.230 29.700 -0.132 0.000 0.833 33 E HN 0.534 nan 8.360 nan 0.000 0.510 34 W N 1.128 122.520 121.300 0.155 0.000 2.266 34 W HA 0.327 4.987 4.660 0.000 0.000 0.317 34 W C -0.101 176.515 176.519 0.162 0.000 1.310 34 W CA -0.526 56.882 57.345 0.105 0.000 1.207 34 W CB 0.324 29.844 29.460 0.100 0.000 1.199 34 W HN -0.108 nan 8.180 nan 0.000 0.544 35 F N 6.203 126.280 119.950 0.212 0.000 2.492 35 F HA 0.510 5.037 4.527 0.000 0.000 0.327 35 F C -1.656 174.205 175.800 0.102 0.000 1.079 35 F CA -2.898 55.162 58.000 0.100 0.000 0.967 35 F CB 1.309 40.326 39.000 0.028 0.000 1.169 35 F HN 0.084 nan 8.300 nan 0.000 0.472 36 P HA 0.164 nan 4.420 nan 0.000 0.272 36 P C -0.654 176.265 177.300 -0.637 0.000 1.240 36 P CA -0.223 62.132 63.100 -1.242 0.000 0.791 36 P CB 0.597 31.822 31.700 -0.791 0.000 0.978 37 G N 0.134 108.543 108.800 -0.652 0.000 2.372 37 G HA2 0.471 4.431 3.960 0.000 0.000 0.283 37 G HA3 0.471 4.431 3.960 0.000 0.000 0.283 37 G C -0.624 174.077 174.900 -0.331 0.000 1.177 37 G CA -0.462 44.451 45.100 -0.313 0.000 0.842 37 G HN 0.453 nan 8.290 nan 0.000 0.503 38 V N 0.693 120.470 119.914 -0.228 0.000 3.532 38 V HA -0.196 3.924 4.120 0.000 0.000 0.505 38 V C 0.117 176.068 176.094 -0.238 0.000 0.682 38 V CA 0.338 62.502 62.300 -0.226 0.000 2.056 38 V CB -0.655 30.996 31.823 -0.286 0.000 2.484 38 V HN 1.091 nan 8.190 nan 0.000 0.509 39 R N 4.003 124.390 120.500 -0.189 0.000 2.437 39 R HA 0.792 5.132 4.340 0.000 0.000 0.310 39 R C -0.531 175.681 176.300 -0.148 0.000 0.955 39 R CA -0.712 55.260 56.100 -0.213 0.000 0.851 39 R CB 1.802 31.983 30.300 -0.198 0.000 1.161 39 R HN 0.669 nan 8.270 nan 0.000 0.446 40 I N 3.338 123.778 120.570 -0.217 0.000 2.404 40 I HA 0.343 4.513 4.170 0.000 0.000 0.293 40 I C -0.770 175.258 176.117 -0.148 0.000 0.992 40 I CA -0.867 60.385 61.300 -0.080 0.000 1.149 40 I CB 1.242 39.203 38.000 -0.065 0.000 1.315 40 I HN 0.438 nan 8.210 nan 0.000 0.446 41 Y N 3.940 124.332 120.300 0.153 0.000 2.457 41 Y HA 0.425 4.976 4.550 0.000 0.000 0.333 41 Y C 0.111 176.302 175.900 0.486 0.000 1.119 41 Y CA -0.451 57.803 58.100 0.257 0.000 1.143 41 Y CB 1.462 40.045 38.460 0.205 0.000 1.230 41 Y HN 0.471 nan 8.280 nan 0.000 0.469 42 H N 0.983 120.291 119.070 0.398 0.000 2.572 42 H HA 0.651 5.207 4.556 0.000 0.000 0.359 42 H C -1.447 173.841 175.328 -0.066 0.000 1.134 42 H CA -0.290 55.859 56.048 0.169 0.000 1.187 42 H CB 2.121 31.855 29.762 -0.047 0.000 1.597 42 H HN 0.672 nan 8.280 nan 0.000 0.524 43 S N 2.543 117.696 115.700 -0.911 0.000 2.607 43 S HA 0.310 4.780 4.470 0.000 0.000 0.273 43 S C -0.037 174.179 174.600 -0.639 0.000 1.148 43 S CA -0.720 56.925 58.200 -0.925 0.000 0.833 43 S CB 1.742 63.743 63.200 -1.997 0.000 1.130 43 S HN 0.768 nan 8.310 nan 0.000 0.470 44 K N 0.861 121.083 120.400 -0.297 0.000 2.367 44 K HA 0.119 4.439 4.320 0.000 0.000 0.198 44 K C 0.407 176.904 176.600 -0.172 0.000 1.132 44 K CA 0.619 56.846 56.287 -0.100 0.000 0.941 44 K CB -0.071 32.407 32.500 -0.037 0.000 1.052 44 K HN 0.755 nan 8.250 nan 0.000 0.507 45 D N 1.103 121.318 120.400 -0.309 0.000 2.339 45 D HA 0.028 4.669 4.640 0.000 0.000 0.217 45 D C 1.026 177.082 176.300 -0.407 0.000 1.050 45 D CA -0.069 53.746 54.000 -0.307 0.000 0.856 45 D CB -0.070 40.572 40.800 -0.263 0.000 0.922 45 D HN 0.106 nan 8.370 nan 0.000 0.518 46 L N -1.479 119.399 121.223 -0.575 0.000 5.051 46 L HA -0.349 3.991 4.340 0.000 0.000 0.432 46 L C 1.614 178.407 176.870 -0.129 0.000 1.055 46 L CA 1.457 56.025 54.840 -0.453 0.000 1.095 46 L CB -1.335 40.442 42.059 -0.471 0.000 1.957 46 L HN 0.239 nan 8.230 nan 0.000 0.727 47 K N 0.270 120.510 120.400 -0.267 0.000 2.266 47 K HA 0.132 4.452 4.320 0.000 0.000 0.209 47 K C 0.721 177.318 176.600 -0.004 0.000 1.065 47 K CA 0.153 56.408 56.287 -0.054 0.000 0.946 47 K CB 0.418 32.858 32.500 -0.099 0.000 1.069 47 K HN 0.190 nan 8.250 nan 0.000 0.472 48 N N 0.876 119.483 118.700 -0.155 0.000 2.419 48 N HA 0.099 4.839 4.740 0.000 0.000 0.264 48 N C -1.500 174.084 175.510 0.122 0.000 1.031 48 N CA 0.005 53.086 53.050 0.051 0.000 0.951 48 N CB 0.701 39.153 38.487 -0.059 0.000 1.101 48 N HN 0.147 nan 8.380 nan 0.000 0.488 49 W N 1.615 123.077 121.300 0.270 0.000 2.702 49 W HA 0.435 5.096 4.660 0.000 0.000 0.331 49 W C 0.338 176.963 176.519 0.176 0.000 1.049 49 W CA -0.964 56.485 57.345 0.173 0.000 1.230 49 W CB 1.348 30.807 29.460 -0.001 0.000 1.408 49 W HN 0.321 nan 8.180 nan 0.000 0.492 50 R N 1.914 122.533 120.500 0.199 0.000 2.686 50 R HA 0.770 5.110 4.340 0.000 0.000 0.286 50 R C -1.310 175.083 176.300 0.156 0.000 0.969 50 R CA -1.201 54.977 56.100 0.130 0.000 0.898 50 R CB 1.486 31.604 30.300 -0.304 0.000 1.183 50 R HN 0.479 nan 8.270 nan 0.000 0.456 51 L N 3.780 125.018 121.223 0.024 0.000 2.477 51 L HA 0.084 4.424 4.340 0.000 0.000 0.272 51 L C 0.427 177.217 176.870 -0.133 0.000 1.157 51 L CA 0.452 55.031 54.840 -0.436 0.000 0.889 51 L CB 1.468 43.101 42.059 -0.711 0.000 1.158 51 L HN 0.829 nan 8.230 nan 0.000 0.473 52 V N 1.803 121.614 119.914 -0.172 0.000 3.371 52 V HA 0.678 4.798 4.120 0.000 0.000 0.246 52 V C 0.527 176.565 176.094 -0.092 0.000 1.303 52 V CA 0.385 62.629 62.300 -0.092 0.000 1.156 52 V CB -0.363 31.414 31.823 -0.078 0.000 0.929 52 V HN 0.840 nan 8.190 nan 0.000 0.459 53 A N 0.909 123.649 122.820 -0.132 0.000 2.398 53 A HA 0.867 5.187 4.320 0.000 0.000 0.301 53 A C -0.458 177.016 177.584 -0.182 0.000 1.041 53 A CA -0.736 51.237 52.037 -0.106 0.000 0.711 53 A CB 1.336 20.305 19.000 -0.051 0.000 1.240 53 A HN 0.387 nan 8.150 nan 0.000 0.420 54 R N 3.217 123.612 120.500 -0.175 0.000 2.564 54 R HA 0.279 4.619 4.340 0.000 0.000 0.282 54 R C -2.325 173.798 176.300 -0.296 0.000 1.573 54 R CA -1.487 54.462 56.100 -0.253 0.000 1.588 54 R CB 1.136 31.297 30.300 -0.232 0.000 1.154 54 R HN 0.429 nan 8.270 nan 0.000 0.606 55 P HA -0.158 nan 4.420 nan 0.000 0.215 55 P C 0.123 177.130 177.300 -0.489 0.000 1.157 55 P CA 1.054 63.754 63.100 -0.667 0.000 0.868 55 P CB 0.276 31.116 31.700 -1.434 0.000 0.788 56 L N 1.125 122.036 121.223 -0.520 0.000 2.395 56 L HA 0.164 4.504 4.340 0.000 0.000 0.268 56 L C 0.811 177.440 176.870 -0.401 0.000 1.223 56 L CA -0.126 54.458 54.840 -0.428 0.000 1.093 56 L CB -0.751 41.002 42.059 -0.510 0.000 1.349 56 L HN 0.097 nan 8.230 nan 0.000 0.427 57 N N 0.987 119.555 118.700 -0.220 0.000 2.159 57 N HA 0.068 4.808 4.740 0.000 0.000 0.217 57 N C 0.229 175.838 175.510 0.165 0.000 1.223 57 N CA -0.339 52.621 53.050 -0.151 0.000 0.896 57 N CB 0.571 38.972 38.487 -0.144 0.000 1.064 57 N HN 0.335 nan 8.380 nan 0.000 0.518 58 R N 0.217 120.812 120.500 0.159 0.000 2.562 58 R HA 0.421 4.761 4.340 0.000 0.000 0.298 58 R C 0.856 177.243 176.300 0.144 0.000 0.961 58 R CA -0.714 55.473 56.100 0.145 0.000 0.881 58 R CB 2.043 32.387 30.300 0.074 0.000 1.159 58 R HN -0.045 nan 8.270 nan 0.000 0.450 59 L N 1.079 122.346 121.223 0.073 0.000 2.129 59 L HA -0.284 4.056 4.340 0.000 0.000 0.212 59 L C 2.127 178.997 176.870 0.000 0.000 1.087 59 L CA 1.864 56.702 54.840 -0.004 0.000 0.757 59 L CB -0.336 41.694 42.059 -0.048 0.000 0.896 59 L HN 0.749 nan 8.230 nan 0.000 0.434 60 S N -1.384 114.323 115.700 0.012 0.000 2.442 60 S HA -0.209 4.261 4.470 0.000 0.000 0.236 60 S C 1.773 176.372 174.600 -0.002 0.000 1.007 60 S CA 0.874 59.076 58.200 0.003 0.000 0.965 60 S CB -0.186 63.022 63.200 0.013 0.000 0.773 60 S HN 0.536 nan 8.310 nan 0.000 0.504 61 Q N -0.390 119.420 119.800 0.016 0.000 2.226 61 Q HA 0.386 4.726 4.340 0.000 0.000 0.199 61 Q C -0.428 175.571 176.000 -0.002 0.000 0.945 61 Q CA 0.439 56.248 55.803 0.009 0.000 0.861 61 Q CB 0.256 28.983 28.738 -0.017 0.000 0.953 61 Q HN 0.416 nan 8.270 nan 0.000 0.490 62 L N 1.246 122.495 121.223 0.044 0.000 2.541 62 L HA 0.399 4.739 4.340 0.000 0.000 0.266 62 L C -1.807 175.095 176.870 0.055 0.000 0.966 62 L CA -0.338 54.557 54.840 0.092 0.000 0.871 62 L CB 1.895 44.059 42.059 0.175 0.000 1.232 62 L HN -0.114 nan 8.230 nan 0.000 0.408 63 N N 5.491 124.193 118.700 0.003 0.000 2.626 63 N HA 0.415 5.155 4.740 0.000 0.000 0.249 63 N C -0.369 175.120 175.510 -0.035 0.000 1.021 63 N CA -0.188 52.830 53.050 -0.054 0.000 0.886 63 N CB 1.012 39.472 38.487 -0.045 0.000 1.149 63 N HN 0.716 nan 8.380 nan 0.000 0.517 64 M N 2.589 122.142 119.600 -0.078 0.000 2.412 64 M HA 0.274 4.754 4.480 0.000 0.000 0.315 64 M C 0.538 176.770 176.300 -0.112 0.000 1.092 64 M CA -0.566 54.703 55.300 -0.053 0.000 0.974 64 M CB 0.547 33.144 32.600 -0.004 0.000 1.437 64 M HN 0.391 nan 8.290 nan 0.000 0.524 65 I N 1.329 121.827 120.570 -0.120 0.000 2.845 65 I HA -0.029 4.142 4.170 0.000 0.000 0.296 65 I C 1.358 177.360 176.117 -0.191 0.000 1.216 65 I CA 1.721 62.946 61.300 -0.126 0.000 1.438 65 I CB 0.511 38.502 38.000 -0.016 0.000 1.342 65 I HN 0.681 nan 8.210 nan 0.000 0.577 66 G N 4.114 112.603 108.800 -0.518 0.000 2.189 66 G HA2 -0.351 3.609 3.960 0.000 0.000 0.267 66 G HA3 -0.351 3.609 3.960 0.000 0.000 0.267 66 G C 0.381 175.057 174.900 -0.372 0.000 0.975 66 G CA 0.323 44.972 45.100 -0.753 0.000 0.644 66 G HN 0.686 nan 8.290 nan 0.000 0.537 67 N N 2.224 120.788 118.700 -0.227 0.000 2.353 67 N HA 0.344 5.084 4.740 0.000 0.000 0.248 67 N C -1.710 173.735 175.510 -0.107 0.000 1.240 67 N CA -0.378 52.609 53.050 -0.105 0.000 0.862 67 N CB 0.757 39.224 38.487 -0.033 0.000 1.086 67 N HN 0.295 nan 8.380 nan 0.000 0.453 68 P HA 0.083 nan 4.420 nan 0.000 0.274 68 P C -0.832 176.471 177.300 0.005 0.000 1.231 68 P CA -0.321 62.768 63.100 -0.018 0.000 0.790 68 P CB 0.590 32.308 31.700 0.029 0.000 0.951 69 D N 0.907 121.292 120.400 -0.024 0.000 2.583 69 D HA -0.031 4.609 4.640 0.000 0.000 0.232 69 D C 0.734 177.042 176.300 0.013 0.000 1.128 69 D CA 1.050 55.028 54.000 -0.037 0.000 0.859 69 D CB -0.271 40.497 40.800 -0.054 0.000 1.169 69 D HN 0.307 nan 8.370 nan 0.000 0.481 70 S N -0.077 115.635 115.700 0.020 0.000 3.380 70 S HA -0.143 4.327 4.470 0.000 0.000 0.300 70 S C 0.876 175.782 174.600 0.509 0.000 1.255 70 S CA 0.788 59.044 58.200 0.093 0.000 0.963 70 S CB -1.204 61.904 63.200 -0.153 0.000 1.106 70 S HN 0.769 nan 8.310 nan 0.000 0.629 71 G N 0.083 109.149 108.800 0.442 0.000 2.531 71 G HA2 0.696 4.656 3.960 0.000 0.000 0.253 71 G HA3 0.696 4.656 3.960 0.000 0.000 0.253 71 G C 0.931 176.164 174.900 0.555 0.000 1.439 71 G CA 0.309 45.722 45.100 0.522 0.000 1.056 71 G HN 1.499 nan 8.290 nan 0.000 0.555 72 G N -1.833 107.156 108.800 0.315 0.000 2.536 72 G HA2 -0.173 3.787 3.960 0.000 0.000 0.280 72 G HA3 -0.173 3.787 3.960 0.000 0.000 0.280 72 G C 0.107 175.168 174.900 0.269 0.000 1.152 72 G CA 0.260 45.513 45.100 0.256 0.000 0.970 72 G HN 1.488 nan 8.290 nan 0.000 0.549 73 V N 1.757 121.787 119.914 0.194 0.000 2.370 73 V HA 0.386 4.506 4.120 0.000 0.000 0.257 73 V C 0.819 176.778 176.094 -0.226 0.000 1.064 73 V CA 0.066 62.411 62.300 0.076 0.000 0.975 73 V CB -0.094 31.745 31.823 0.027 0.000 1.067 73 V HN 0.479 nan 8.190 nan 0.000 0.485 74 W N 2.535 123.595 121.300 -0.400 0.000 1.671 74 W HA 0.558 5.218 4.660 0.000 0.000 0.623 74 W C 1.101 177.429 176.519 -0.319 0.000 1.691 74 W CA -0.488 56.529 57.345 -0.547 0.000 1.837 74 W CB -0.266 29.066 29.460 -0.213 0.000 3.103 74 W HN 0.465 nan 8.180 nan 0.000 0.789 75 A N 4.054 126.974 122.820 0.166 0.000 2.526 75 A HA 0.244 4.564 4.320 0.000 0.000 0.267 75 A C -2.097 175.648 177.584 0.268 0.000 1.095 75 A CA -0.610 51.547 52.037 0.199 0.000 0.775 75 A CB -1.386 17.822 19.000 0.347 0.000 1.036 75 A HN 0.122 nan 8.150 nan 0.000 0.510 76 P HA 0.373 nan 4.420 nan 0.000 0.284 76 P C -1.047 176.478 177.300 0.374 0.000 1.258 76 P CA -0.205 63.050 63.100 0.259 0.000 0.824 76 P CB 1.196 32.977 31.700 0.135 0.000 1.038 77 H N 1.237 120.460 119.070 0.254 0.000 2.658 77 H HA 0.584 5.140 4.556 0.000 0.000 0.337 77 H C -1.568 173.925 175.328 0.274 0.000 1.009 77 H CA -0.741 55.477 56.048 0.283 0.000 1.231 77 H CB 0.656 30.596 29.762 0.296 0.000 1.508 77 H HN 0.170 nan 8.280 nan 0.000 0.517 78 L N 4.917 126.090 121.223 -0.082 0.000 2.333 78 L HA 0.669 5.009 4.340 0.000 0.000 0.280 78 L C -0.858 176.022 176.870 0.017 0.000 1.004 78 L CA -0.078 54.796 54.840 0.058 0.000 0.820 78 L CB 1.198 43.352 42.059 0.158 0.000 1.247 78 L HN 0.806 nan 8.230 nan 0.000 0.416 79 S N 3.438 119.280 115.700 0.237 0.000 2.685 79 S HA 0.697 5.167 4.470 0.000 0.000 0.282 79 S C -1.394 173.495 174.600 0.481 0.000 1.159 79 S CA -0.698 57.684 58.200 0.303 0.000 0.833 79 S CB 1.495 64.856 63.200 0.268 0.000 1.151 79 S HN 0.557 nan 8.310 nan 0.000 0.485 80 Y N 0.255 120.617 120.300 0.104 0.000 2.406 80 Y HA 0.725 5.275 4.550 0.000 0.000 0.340 80 Y C -0.650 175.107 175.900 -0.238 0.000 0.975 80 Y CA -0.073 57.989 58.100 -0.063 0.000 1.056 80 Y CB 2.068 40.379 38.460 -0.249 0.000 1.210 80 Y HN 1.022 nan 8.280 nan 0.000 0.448 81 S N 3.940 119.279 115.700 -0.602 0.000 2.542 81 S HA 0.345 4.815 4.470 0.000 0.000 0.276 81 S C -1.844 172.598 174.600 -0.263 0.000 1.148 81 S CA -0.672 57.216 58.200 -0.520 0.000 0.886 81 S CB 0.672 63.258 63.200 -1.023 0.000 1.109 81 S HN 0.817 nan 8.310 nan 0.000 0.458 82 D N 2.540 122.806 120.400 -0.223 0.000 2.697 82 D HA -0.157 4.483 4.640 0.000 0.000 0.235 82 D C 0.984 177.165 176.300 -0.199 0.000 1.167 82 D CA 2.061 55.994 54.000 -0.112 0.000 0.656 82 D CB -1.639 39.185 40.800 0.040 0.000 1.025 82 D HN 1.550 nan 8.370 nan 0.000 0.419 83 G N -0.373 108.207 108.800 -0.367 0.000 2.168 83 G HA2 -0.368 3.592 3.960 0.000 0.000 0.263 83 G HA3 -0.368 3.592 3.960 0.000 0.000 0.263 83 G C 0.215 174.869 174.900 -0.411 0.000 0.977 83 G CA 1.050 45.981 45.100 -0.283 0.000 0.659 83 G HN 0.826 nan 8.290 nan 0.000 0.533 84 K N -1.027 118.962 120.400 -0.686 0.000 2.426 84 K HA 0.761 5.081 4.320 0.000 0.000 0.251 84 K C -0.847 175.435 176.600 -0.531 0.000 0.941 84 K CA -1.340 54.634 56.287 -0.522 0.000 0.808 84 K CB 1.570 33.779 32.500 -0.486 0.000 1.265 84 K HN -0.063 nan 8.250 nan 0.000 0.432 85 F N 1.091 120.977 119.950 -0.107 0.000 2.384 85 F HA 0.341 4.869 4.527 0.000 0.000 0.338 85 F C -0.556 175.355 175.800 0.185 0.000 1.103 85 F CA 0.121 58.242 58.000 0.202 0.000 1.157 85 F CB 0.756 39.843 39.000 0.146 0.000 1.167 85 F HN 0.419 nan 8.300 nan 0.000 0.529 86 W N 5.481 127.046 121.300 0.441 0.000 2.475 86 W HA 0.581 5.241 4.660 0.000 0.000 0.320 86 W C -1.370 175.376 176.519 0.378 0.000 1.022 86 W CA -0.852 56.723 57.345 0.383 0.000 1.240 86 W CB 1.221 30.864 29.460 0.306 0.000 1.328 86 W HN 0.142 nan 8.180 nan 0.000 0.439 87 L N 6.056 127.598 121.223 0.531 0.000 2.316 87 L HA 0.583 4.923 4.340 0.000 0.000 0.280 87 L C -0.959 176.131 176.870 0.367 0.000 1.006 87 L CA -0.626 54.391 54.840 0.296 0.000 0.836 87 L CB 0.294 42.289 42.059 -0.107 0.000 1.221 87 L HN 0.192 nan 8.230 nan 0.000 0.418 88 I N 6.250 127.042 120.570 0.370 0.000 2.359 88 I HA 0.409 4.579 4.170 0.000 0.000 0.294 88 I C -0.240 176.103 176.117 0.376 0.000 0.987 88 I CA -0.463 61.037 61.300 0.333 0.000 1.225 88 I CB 0.621 38.798 38.000 0.294 0.000 1.366 88 I HN 0.710 nan 8.210 nan 0.000 0.466 89 Y N 2.738 123.142 120.300 0.174 0.000 2.689 89 Y HA 0.815 5.365 4.550 0.000 0.000 0.333 89 Y C -0.744 175.276 175.900 0.200 0.000 1.190 89 Y CA -0.963 57.235 58.100 0.164 0.000 1.063 89 Y CB 1.326 39.852 38.460 0.111 0.000 1.294 89 Y HN 0.432 nan 8.280 nan 0.000 0.466 90 T N 0.737 115.466 114.554 0.293 0.000 2.916 90 T HA 0.349 4.699 4.350 0.000 0.000 0.292 90 T C -1.894 172.992 174.700 0.311 0.000 1.055 90 T CA -0.648 61.553 62.100 0.168 0.000 1.009 90 T CB 1.706 70.594 68.868 0.033 0.000 1.118 90 T HN 0.651 nan 8.240 nan 0.000 0.497 91 D N 1.815 122.384 120.400 0.281 0.000 2.446 91 D HA 0.384 5.024 4.640 0.000 0.000 0.251 91 D C -0.774 175.559 176.300 0.056 0.000 1.137 91 D CA -0.417 53.731 54.000 0.247 0.000 0.890 91 D CB 0.746 41.770 40.800 0.373 0.000 1.071 91 D HN 0.203 nan 8.370 nan 0.000 0.528 92 V N 5.351 125.202 119.914 -0.104 0.000 2.461 92 V HA 0.197 4.317 4.120 0.000 0.000 0.275 92 V C 1.413 177.438 176.094 -0.115 0.000 1.047 92 V CA -0.242 61.870 62.300 -0.313 0.000 0.955 92 V CB 1.480 32.778 31.823 -0.876 0.000 0.988 92 V HN 0.380 nan 8.190 nan 0.000 0.471 93 K N 3.074 123.396 120.400 -0.131 0.000 2.313 93 K HA 0.251 4.571 4.320 0.000 0.000 0.197 93 K C 0.057 176.629 176.600 -0.046 0.000 1.061 93 K CA 0.617 56.875 56.287 -0.048 0.000 0.980 93 K CB 0.831 33.317 32.500 -0.023 0.000 0.888 93 K HN 0.464 nan 8.250 nan 0.000 0.502 94 V N 2.407 122.263 119.914 -0.097 0.000 2.448 94 V HA 0.172 4.293 4.120 0.000 0.000 0.295 94 V C 0.585 176.656 176.094 -0.038 0.000 1.025 94 V CA -0.564 61.708 62.300 -0.046 0.000 0.859 94 V CB 1.801 33.598 31.823 -0.043 0.000 0.988 94 V HN 0.052 nan 8.190 nan 0.000 0.431 95 V N 0.783 120.736 119.914 0.066 0.000 3.398 95 V HA 0.543 4.663 4.120 0.000 0.000 0.298 95 V C 0.218 176.412 176.094 0.166 0.000 1.496 95 V CA 0.142 62.545 62.300 0.171 0.000 1.044 95 V CB -0.001 32.010 31.823 0.314 0.000 0.880 95 V HN 0.785 nan 8.190 nan 0.000 0.443 96 E N 0.373 120.649 120.200 0.127 0.000 2.367 96 E HA 0.673 5.023 4.350 0.000 0.000 0.273 96 E C 0.172 176.870 176.600 0.164 0.000 0.903 96 E CA -0.209 56.274 56.400 0.138 0.000 0.764 96 E CB 2.309 32.070 29.700 0.102 0.000 1.252 96 E HN 0.610 nan 8.360 nan 0.000 0.446 97 G N 1.212 110.119 108.800 0.178 0.000 2.627 97 G HA2 -0.241 3.719 3.960 0.000 0.000 0.214 97 G HA3 -0.241 3.719 3.960 0.000 0.000 0.214 97 G C 0.297 175.323 174.900 0.211 0.000 1.331 97 G CA -0.511 44.708 45.100 0.198 0.000 0.891 97 G HN 0.439 nan 8.290 nan 0.000 0.539 98 Q N -0.799 119.071 119.800 0.116 0.000 2.369 98 Q HA 0.046 4.386 4.340 0.000 0.000 0.206 98 Q C 0.687 176.675 176.000 -0.021 0.000 0.963 98 Q CA 1.144 56.874 55.803 -0.122 0.000 0.894 98 Q CB 0.197 28.533 28.738 -0.669 0.000 0.965 98 Q HN 0.511 nan 8.270 nan 0.000 0.475 99 W N 0.167 121.614 121.300 0.246 0.000 2.706 99 W HA 0.377 5.037 4.660 0.000 0.000 0.346 99 W C 0.373 176.670 176.519 -0.369 0.000 1.071 99 W CA -0.856 56.495 57.345 0.011 0.000 1.206 99 W CB 1.197 30.627 29.460 -0.050 0.000 1.413 99 W HN -0.241 nan 8.180 nan 0.000 0.542 100 K N 1.643 121.655 120.400 -0.646 0.000 3.271 100 K HA 0.125 4.445 4.320 0.000 0.000 0.192 100 K C -0.752 175.527 176.600 -0.536 0.000 1.108 100 K CA -0.133 55.715 56.287 -0.732 0.000 0.902 100 K CB -0.371 31.363 32.500 -1.278 0.000 0.889 100 K HN 0.124 nan 8.250 nan 0.000 0.520 101 D N 0.966 121.169 120.400 -0.328 0.000 2.520 101 D HA 0.230 4.870 4.640 0.000 0.000 0.243 101 D C 0.367 176.406 176.300 -0.436 0.000 1.160 101 D CA 0.947 54.749 54.000 -0.330 0.000 0.877 101 D CB 1.069 41.734 40.800 -0.225 0.000 1.150 101 D HN 0.517 nan 8.370 nan 0.000 0.494 102 G N 1.653 110.099 108.800 -0.591 0.000 2.673 102 G HA2 0.417 4.377 3.960 0.000 0.000 0.292 102 G HA3 0.417 4.377 3.960 0.000 0.000 0.292 102 G C -1.609 172.850 174.900 -0.734 0.000 1.450 102 G CA -0.775 43.955 45.100 -0.618 0.000 0.837 102 G HN 0.445 nan 8.290 nan 0.000 0.505 103 H N 0.917 119.908 119.070 -0.132 0.000 2.600 103 H HA 0.414 4.970 4.556 0.000 0.000 0.357 103 H C -0.659 174.393 175.328 -0.460 0.000 1.106 103 H CA -0.824 55.095 56.048 -0.215 0.000 1.193 103 H CB 2.176 31.854 29.762 -0.139 0.000 1.594 103 H HN 0.363 nan 8.280 nan 0.000 0.526 104 N N 2.373 120.797 118.700 -0.460 0.000 2.456 104 N HA 0.242 4.982 4.740 0.000 0.000 0.288 104 N C -0.710 174.343 175.510 -0.761 0.000 1.059 104 N CA -0.166 52.590 53.050 -0.492 0.000 0.946 104 N CB 1.489 39.795 38.487 -0.302 0.000 1.150 104 N HN 0.460 nan 8.380 nan 0.000 0.479 105 Y N 0.079 120.133 120.300 -0.410 0.000 2.662 105 Y HA 0.595 5.146 4.550 0.000 0.000 0.335 105 Y C -0.307 175.411 175.900 -0.303 0.000 1.066 105 Y CA -1.223 56.619 58.100 -0.430 0.000 1.116 105 Y CB 1.348 39.366 38.460 -0.737 0.000 1.308 105 Y HN 0.275 nan 8.280 nan 0.000 0.502 106 L N 2.451 123.733 121.223 0.098 0.000 2.410 106 L HA 0.870 5.210 4.340 0.000 0.000 0.270 106 L C -1.393 175.648 176.870 0.284 0.000 0.983 106 L CA -0.942 54.007 54.840 0.183 0.000 0.822 106 L CB 1.663 43.780 42.059 0.096 0.000 1.285 106 L HN 0.461 nan 8.230 nan 0.000 0.409 107 V N 1.182 121.314 119.914 0.364 0.000 2.823 107 V HA 0.989 5.109 4.120 0.000 0.000 0.312 107 V C -0.230 176.114 176.094 0.417 0.000 1.072 107 V CA 0.161 62.671 62.300 0.351 0.000 0.937 107 V CB 1.548 33.577 31.823 0.345 0.000 1.013 107 V HN 1.000 nan 8.190 nan 0.000 0.430 108 T N -0.199 114.542 114.554 0.313 0.000 2.916 108 T HA 0.825 5.175 4.350 0.000 0.000 0.292 108 T C -0.686 173.950 174.700 -0.106 0.000 1.064 108 T CA -0.695 61.464 62.100 0.097 0.000 1.011 108 T CB 1.672 70.358 68.868 -0.303 0.000 1.152 108 T HN 1.548 nan 8.240 nan 0.000 0.510 109 C N 0.968 119.961 119.300 -0.512 0.000 3.199 109 C HA 0.411 4.871 4.460 0.000 0.000 0.392 109 C C 0.296 175.026 174.990 -0.435 0.000 1.050 109 C CA -0.478 58.101 59.018 -0.732 0.000 1.222 109 C CB 0.738 27.455 27.740 -1.705 0.000 1.595 109 C HN 1.070 nan 8.230 nan 0.000 0.560 110 D N 1.159 121.392 120.400 -0.279 0.000 2.149 110 D HA 0.039 4.679 4.640 0.000 0.000 0.201 110 D C 1.117 177.430 176.300 0.021 0.000 0.972 110 D CA 1.671 55.599 54.000 -0.119 0.000 0.835 110 D CB 0.176 40.909 40.800 -0.112 0.000 0.966 110 D HN 0.794 nan 8.370 nan 0.000 0.476 111 T N -1.739 112.762 114.554 -0.089 0.000 2.824 111 T HA 0.296 4.646 4.350 0.000 0.000 0.280 111 T C 1.053 175.610 174.700 -0.239 0.000 0.995 111 T CA -0.825 61.251 62.100 -0.040 0.000 1.009 111 T CB 1.856 70.671 68.868 -0.087 0.000 0.955 111 T HN -0.142 nan 8.240 nan 0.000 0.452 112 I N 1.781 122.168 120.570 -0.305 0.000 2.315 112 I HA -0.147 4.023 4.170 0.000 0.000 0.251 112 I C 1.280 177.272 176.117 -0.209 0.000 1.125 112 I CA 1.716 62.615 61.300 -0.668 0.000 1.392 112 I CB -0.083 37.309 38.000 -1.014 0.000 1.065 112 I HN 0.877 nan 8.210 nan 0.000 0.424 113 D N -1.282 119.022 120.400 -0.160 0.000 2.501 113 D HA 0.225 4.865 4.640 0.000 0.000 0.226 113 D C 0.773 177.039 176.300 -0.057 0.000 1.198 113 D CA 0.045 54.016 54.000 -0.049 0.000 0.830 113 D CB -0.647 40.110 40.800 -0.072 0.000 1.014 113 D HN 0.256 nan 8.370 nan 0.000 0.496 114 G N -0.051 108.652 108.800 -0.162 0.000 2.532 114 G HA2 0.522 4.482 3.960 0.000 0.000 0.291 114 G HA3 0.522 4.482 3.960 0.000 0.000 0.291 114 G C -0.409 174.428 174.900 -0.105 0.000 1.349 114 G CA -0.625 44.382 45.100 -0.156 0.000 1.038 114 G HN 0.275 nan 8.290 nan 0.000 0.518 115 A N -0.638 122.139 122.820 -0.071 0.000 2.395 115 A HA 0.481 4.802 4.320 0.000 0.000 0.286 115 A C -0.553 177.029 177.584 -0.003 0.000 1.193 115 A CA -0.425 51.625 52.037 0.022 0.000 0.852 115 A CB -0.344 18.663 19.000 0.011 0.000 1.118 115 A HN 0.448 nan 8.150 nan 0.000 0.524 116 W N 2.047 123.318 121.300 -0.050 0.000 2.161 116 W HA 0.394 5.054 4.660 0.000 0.000 0.344 116 W C 1.213 177.717 176.519 -0.026 0.000 1.262 116 W CA 0.403 57.723 57.345 -0.042 0.000 1.270 116 W CB 0.592 30.021 29.460 -0.052 0.000 1.126 116 W HN 0.815 nan 8.180 nan 0.000 0.598 117 S N 0.920 116.747 115.700 0.212 0.000 2.584 117 S HA 0.091 4.561 4.470 0.000 0.000 0.270 117 S C -0.106 174.581 174.600 0.145 0.000 1.346 117 S CA -0.830 57.445 58.200 0.124 0.000 1.018 117 S CB 0.642 63.889 63.200 0.077 0.000 0.899 117 S HN 0.385 nan 8.310 nan 0.000 0.542 118 D N 2.457 122.918 120.400 0.102 0.000 2.399 118 D HA 0.334 4.974 4.640 0.000 0.000 0.241 118 D C -2.217 174.159 176.300 0.127 0.000 1.133 118 D CA -1.015 53.044 54.000 0.097 0.000 0.890 118 D CB 0.377 41.217 40.800 0.066 0.000 1.201 118 D HN 0.395 nan 8.370 nan 0.000 0.432 119 P HA 0.165 nan 4.420 nan 0.000 0.268 119 P C -0.305 177.121 177.300 0.209 0.000 1.205 119 P CA 0.037 63.247 63.100 0.185 0.000 0.771 119 P CB 0.569 32.313 31.700 0.072 0.000 0.858 120 I N 2.957 123.673 120.570 0.244 0.000 2.336 120 I HA 0.223 4.393 4.170 0.000 0.000 0.292 120 I C 0.113 176.416 176.117 0.311 0.000 0.991 120 I CA -0.969 60.486 61.300 0.258 0.000 1.227 120 I CB 0.682 38.826 38.000 0.240 0.000 1.366 120 I HN 0.346 nan 8.210 nan 0.000 0.466 121 Y N 6.710 127.127 120.300 0.195 0.000 2.319 121 Y HA 0.325 4.875 4.550 0.000 0.000 0.328 121 Y C -0.005 175.907 175.900 0.021 0.000 1.133 121 Y CA 0.007 58.150 58.100 0.072 0.000 1.265 121 Y CB 0.866 39.356 38.460 0.051 0.000 1.218 121 Y HN 0.494 nan 8.280 nan 0.000 0.508 122 L N 3.394 124.071 121.223 -0.909 0.000 2.670 122 L HA 0.291 4.631 4.340 0.000 0.000 0.177 122 L C -0.143 176.243 176.870 -0.807 0.000 1.181 122 L CA 0.015 54.493 54.840 -0.603 0.000 0.856 122 L CB -0.124 41.720 42.059 -0.359 0.000 1.205 122 L HN 0.746 nan 8.230 nan 0.000 0.506 123 N N -2.740 115.401 118.700 -0.932 0.000 3.378 123 N HA 0.156 4.896 4.740 0.000 0.000 0.294 123 N C -0.572 174.766 175.510 -0.286 0.000 1.544 123 N CA -0.356 52.391 53.050 -0.505 0.000 0.872 123 N CB 1.468 39.837 38.487 -0.195 0.000 1.670 123 N HN -0.189 nan 8.380 nan 0.000 0.551 124 S N -1.197 114.459 115.700 -0.073 0.000 2.820 124 S HA 0.098 4.568 4.470 0.000 0.000 0.265 124 S C 0.839 175.341 174.600 -0.163 0.000 1.043 124 S CA 0.192 58.350 58.200 -0.070 0.000 1.245 124 S CB -0.268 62.984 63.200 0.087 0.000 1.187 124 S HN 0.672 nan 8.310 nan 0.000 0.673 125 S N 1.369 116.971 115.700 -0.164 0.000 2.469 125 S HA 0.333 4.803 4.470 0.000 0.000 0.238 125 S C 1.047 175.456 174.600 -0.318 0.000 0.998 125 S CA 0.663 58.693 58.200 -0.283 0.000 0.957 125 S CB -0.004 63.058 63.200 -0.231 0.000 0.764 125 S HN 0.678 nan 8.310 nan 0.000 0.514 126 G N 0.235 108.884 108.800 -0.253 0.000 2.338 126 G HA2 0.430 4.390 3.960 0.000 0.000 0.295 126 G HA3 0.430 4.390 3.960 0.000 0.000 0.295 126 G C -0.661 174.079 174.900 -0.265 0.000 1.461 126 G CA -0.761 44.143 45.100 -0.326 0.000 0.817 126 G HN 0.291 nan 8.290 nan 0.000 0.556 127 F N -0.946 118.926 119.950 -0.131 0.000 2.251 127 F HA 0.702 5.230 4.527 0.000 0.000 0.302 127 F C 0.538 176.377 175.800 0.064 0.000 1.143 127 F CA -0.239 57.708 58.000 -0.088 0.000 1.104 127 F CB 0.126 39.032 39.000 -0.157 0.000 1.516 127 F HN 0.409 nan 8.300 nan 0.000 0.511 128 D N -0.373 120.293 120.400 0.445 0.000 2.746 128 D HA -0.111 4.529 4.640 0.000 0.000 0.241 128 D C -2.579 173.790 176.300 0.116 0.000 1.140 128 D CA 0.336 54.535 54.000 0.331 0.000 0.707 128 D CB -1.612 39.433 40.800 0.409 0.000 1.034 128 D HN 0.359 nan 8.370 nan 0.000 0.423 129 P HA 0.290 nan 4.420 nan 0.000 0.279 129 P C -0.472 176.811 177.300 -0.029 0.000 1.239 129 P CA -0.226 62.878 63.100 0.007 0.000 0.789 129 P CB 1.799 33.497 31.700 -0.002 0.000 0.933 130 S N 2.416 118.036 115.700 -0.133 0.000 2.614 130 S HA 0.484 4.954 4.470 0.000 0.000 0.288 130 S C -1.204 173.303 174.600 -0.154 0.000 1.137 130 S CA -0.651 57.331 58.200 -0.363 0.000 0.992 130 S CB 0.362 63.299 63.200 -0.438 0.000 1.026 130 S HN 0.317 nan 8.310 nan 0.000 0.486 131 L N 5.529 126.764 121.223 0.019 0.000 2.264 131 L HA 0.646 4.986 4.340 0.000 0.000 0.289 131 L C -1.011 175.821 176.870 -0.063 0.000 1.044 131 L CA -0.374 54.448 54.840 -0.029 0.000 0.807 131 L CB 0.703 42.698 42.059 -0.106 0.000 1.192 131 L HN 0.677 nan 8.230 nan 0.000 0.425 132 F N 4.874 124.682 119.950 -0.237 0.000 2.404 132 F HA 0.403 4.930 4.527 0.000 0.000 0.354 132 F C -0.190 175.463 175.800 -0.244 0.000 1.122 132 F CA -0.501 57.399 58.000 -0.166 0.000 1.080 132 F CB 0.390 39.361 39.000 -0.048 0.000 1.131 132 F HN 0.462 nan 8.300 nan 0.000 0.471 133 H N 4.780 123.546 119.070 -0.506 0.000 2.872 133 H HA 0.130 4.686 4.556 0.000 0.000 0.273 133 H C -0.358 174.503 175.328 -0.778 0.000 1.205 133 H CA -0.521 55.199 56.048 -0.546 0.000 1.342 133 H CB 0.433 29.951 29.762 -0.407 0.000 1.469 133 H HN 0.576 nan 8.280 nan 0.000 0.487 134 D N 1.880 121.902 120.400 -0.630 0.000 2.368 134 D HA -0.040 4.600 4.640 0.000 0.000 0.240 134 D C 1.281 177.515 176.300 -0.110 0.000 1.169 134 D CA -0.172 53.572 54.000 -0.426 0.000 0.906 134 D CB 1.123 41.936 40.800 0.022 0.000 1.187 134 D HN 0.435 nan 8.370 nan 0.000 0.435 135 E N 0.758 120.967 120.200 0.015 0.000 2.153 135 E HA -0.169 4.182 4.350 0.000 0.000 0.194 135 E C 0.601 177.225 176.600 0.039 0.000 0.988 135 E CA 0.943 57.366 56.400 0.037 0.000 0.811 135 E CB -0.121 29.618 29.700 0.065 0.000 0.746 135 E HN 0.542 nan 8.360 nan 0.000 0.466 136 D N -0.511 119.930 120.400 0.068 0.000 2.519 136 D HA 0.123 4.763 4.640 0.000 0.000 0.238 136 D C 1.112 177.443 176.300 0.051 0.000 1.192 136 D CA 0.353 54.392 54.000 0.066 0.000 0.835 136 D CB -0.175 40.681 40.800 0.094 0.000 0.975 136 D HN 0.166 nan 8.370 nan 0.000 0.490 137 G N 0.423 109.239 108.800 0.026 0.000 2.189 137 G HA2 -0.326 3.634 3.960 0.000 0.000 0.267 137 G HA3 -0.326 3.634 3.960 0.000 0.000 0.267 137 G C 0.364 175.270 174.900 0.010 0.000 0.975 137 G CA -0.057 45.051 45.100 0.014 0.000 0.644 137 G HN 0.421 nan 8.290 nan 0.000 0.537 138 R N -0.222 120.292 120.500 0.024 0.000 2.528 138 R HA 0.629 4.969 4.340 0.000 0.000 0.271 138 R C -0.269 175.993 176.300 -0.062 0.000 1.056 138 R CA -0.216 55.876 56.100 -0.015 0.000 1.117 138 R CB 0.744 31.090 30.300 0.076 0.000 1.085 138 R HN 0.156 nan 8.270 nan 0.000 0.530 139 K N 1.587 121.895 120.400 -0.154 0.000 2.463 139 K HA 0.361 4.681 4.320 0.000 0.000 0.255 139 K C -1.363 175.130 176.600 -0.178 0.000 0.942 139 K CA -0.291 55.916 56.287 -0.134 0.000 0.814 139 K CB 1.439 33.907 32.500 -0.052 0.000 1.122 139 K HN 0.389 nan 8.250 nan 0.000 0.425 140 Y N 1.812 122.109 120.300 -0.004 0.000 2.429 140 Y HA 0.551 5.101 4.550 0.000 0.000 0.342 140 Y C -0.660 175.247 175.900 0.012 0.000 1.004 140 Y CA -1.209 56.921 58.100 0.051 0.000 1.075 140 Y CB 1.611 40.121 38.460 0.083 0.000 1.214 140 Y HN 0.353 nan 8.280 nan 0.000 0.455 141 L N 4.564 125.871 121.223 0.141 0.000 2.322 141 L HA 0.777 5.118 4.340 0.000 0.000 0.281 141 L C -0.980 175.900 176.870 0.017 0.000 1.014 141 L CA -0.722 54.142 54.840 0.040 0.000 0.815 141 L CB 1.193 43.252 42.059 0.001 0.000 1.247 141 L HN 0.467 nan 8.230 nan 0.000 0.421 142 V N 2.924 122.816 119.914 -0.036 0.000 2.628 142 V HA 0.780 4.900 4.120 0.000 0.000 0.306 142 V C -0.770 175.284 176.094 -0.067 0.000 1.045 142 V CA -0.560 61.700 62.300 -0.066 0.000 0.905 142 V CB 1.571 33.320 31.823 -0.124 0.000 0.997 142 V HN 0.939 nan 8.190 nan 0.000 0.436 143 N N 2.808 121.485 118.700 -0.039 0.000 2.825 143 N HA 0.495 5.235 4.740 0.000 0.000 0.253 143 N C -0.785 174.714 175.510 -0.018 0.000 1.426 143 N CA -0.907 52.119 53.050 -0.041 0.000 0.851 143 N CB 2.090 40.544 38.487 -0.054 0.000 1.470 143 N HN 0.880 nan 8.380 nan 0.000 0.517 144 M N -0.516 119.041 119.600 -0.072 0.000 2.243 144 M HA 0.372 4.852 4.480 0.000 0.000 0.341 144 M C -1.027 175.244 176.300 -0.047 0.000 1.130 144 M CA -0.001 55.258 55.300 -0.068 0.000 1.162 144 M CB 0.068 32.550 32.600 -0.196 0.000 1.497 144 M HN 0.506 nan 8.290 nan 0.000 0.456 145 Y N 3.974 124.238 120.300 -0.060 0.000 2.353 145 Y HA 0.353 4.903 4.550 0.000 0.000 0.340 145 Y C -1.153 174.721 175.900 -0.045 0.000 0.972 145 Y CA -0.466 57.617 58.100 -0.027 0.000 1.157 145 Y CB 0.707 39.204 38.460 0.062 0.000 1.157 145 Y HN 0.819 nan 8.280 nan 0.000 0.495 146 W N 7.738 128.741 121.300 -0.494 0.000 2.287 146 W HA 0.222 4.882 4.660 0.000 0.000 0.313 146 W C -1.073 175.261 176.519 -0.307 0.000 1.267 146 W CA -0.231 56.868 57.345 -0.410 0.000 1.201 146 W CB 1.255 30.480 29.460 -0.393 0.000 1.196 146 W HN 0.536 nan 8.180 nan 0.000 0.536 147 D N 4.845 124.754 120.400 -0.819 0.000 2.440 147 D HA 0.020 4.660 4.640 0.000 0.000 0.239 147 D C 1.218 177.034 176.300 -0.807 0.000 1.084 147 D CA -0.201 53.442 54.000 -0.595 0.000 0.843 147 D CB 0.731 41.334 40.800 -0.328 0.000 1.097 147 D HN 0.564 nan 8.370 nan 0.000 0.531 148 H N 2.624 121.400 119.070 -0.490 0.000 2.551 148 H HA 0.184 4.740 4.556 0.000 0.000 0.266 148 H C -0.031 175.021 175.328 -0.461 0.000 0.964 148 H CA -0.093 55.655 56.048 -0.500 0.000 1.180 148 H CB 0.264 29.621 29.762 -0.675 0.000 1.408 148 H HN 0.118 nan 8.280 nan 0.000 0.563 149 R N 1.663 121.563 120.500 -1.000 0.000 2.590 149 R HA 0.052 4.392 4.340 0.000 0.000 0.274 149 R C 1.998 178.149 176.300 -0.249 0.000 1.061 149 R CA 0.477 56.173 56.100 -0.673 0.000 1.081 149 R CB 1.109 30.992 30.300 -0.695 0.000 0.984 149 R HN 0.154 nan 8.270 nan 0.000 0.448 150 V N -0.698 119.140 119.914 -0.126 0.000 2.392 150 V HA -0.219 3.901 4.120 0.000 0.000 0.249 150 V C 1.045 177.144 176.094 0.010 0.000 1.059 150 V CA 1.962 64.234 62.300 -0.046 0.000 1.051 150 V CB -0.515 31.300 31.823 -0.013 0.000 0.658 150 V HN 0.846 nan 8.190 nan 0.000 0.455 151 D N -1.072 119.381 120.400 0.089 0.000 2.325 151 D HA 0.106 4.746 4.640 0.000 0.000 0.234 151 D C 0.191 176.420 176.300 -0.117 0.000 1.122 151 D CA 0.045 54.058 54.000 0.022 0.000 0.850 151 D CB -0.697 40.104 40.800 0.002 0.000 0.921 151 D HN 0.700 nan 8.370 nan 0.000 0.513 152 H N -1.310 117.707 119.070 -0.087 0.000 2.851 152 H HA 0.329 4.885 4.556 0.000 0.000 0.372 152 H C -1.041 174.250 175.328 -0.062 0.000 1.158 152 H CA -0.951 55.055 56.048 -0.070 0.000 1.159 152 H CB 1.110 30.806 29.762 -0.110 0.000 1.757 152 H HN -0.024 nan 8.280 nan 0.000 0.546 153 H N 3.619 122.690 119.070 0.001 0.000 2.803 153 H HA 0.111 4.667 4.556 0.000 0.000 0.330 153 H C -1.735 173.544 175.328 -0.081 0.000 1.057 153 H CA -1.808 54.227 56.048 -0.022 0.000 1.458 153 H CB 1.022 30.778 29.762 -0.010 0.000 1.470 153 H HN 0.443 nan 8.280 nan 0.000 0.560 154 P HA -0.126 nan 4.420 nan 0.000 0.216 154 P C -0.294 176.440 177.300 -0.942 0.000 1.153 154 P CA 1.194 63.628 63.100 -1.110 0.000 0.848 154 P CB 0.132 30.904 31.700 -1.548 0.000 0.787 155 F N -1.113 118.394 119.950 -0.739 0.000 2.566 155 F HA 0.110 4.637 4.527 0.000 0.000 0.349 155 F C 1.462 177.258 175.800 -0.007 0.000 1.245 155 F CA -0.443 57.416 58.000 -0.235 0.000 1.169 155 F CB -0.595 38.372 39.000 -0.054 0.000 1.470 155 F HN -0.086 nan 8.300 nan 0.000 0.634 156 Y N 2.114 122.401 120.300 -0.022 0.000 2.616 156 Y HA 0.253 4.803 4.550 0.000 0.000 0.296 156 Y C 1.325 177.252 175.900 0.046 0.000 1.154 156 Y CA 0.747 58.871 58.100 0.040 0.000 1.325 156 Y CB -0.288 38.235 38.460 0.105 0.000 1.007 156 Y HN 0.624 nan 8.280 nan 0.000 0.542 157 G N -0.085 108.804 108.800 0.149 0.000 2.306 157 G HA2 -0.059 3.901 3.960 0.000 0.000 0.262 157 G HA3 -0.059 3.901 3.960 0.000 0.000 0.262 157 G C -1.569 173.404 174.900 0.122 0.000 1.263 157 G CA -0.485 44.646 45.100 0.052 0.000 1.088 157 G HN -0.049 nan 8.290 nan 0.000 0.489 158 I N 0.860 121.486 120.570 0.094 0.000 2.378 158 I HA 0.618 4.788 4.170 0.000 0.000 0.291 158 I C 0.305 176.451 176.117 0.048 0.000 0.992 158 I CA -0.888 60.460 61.300 0.081 0.000 1.154 158 I CB 0.805 38.846 38.000 0.068 0.000 1.315 158 I HN 0.547 nan 8.210 nan 0.000 0.448 159 V N 7.833 127.783 119.914 0.060 0.000 2.547 159 V HA 0.571 4.691 4.120 0.000 0.000 0.299 159 V C -0.873 175.223 176.094 0.003 0.000 1.040 159 V CA -0.642 61.682 62.300 0.040 0.000 0.913 159 V CB 2.435 34.330 31.823 0.121 0.000 0.992 159 V HN 0.592 nan 8.190 nan 0.000 0.449 160 L N 5.859 127.068 121.223 -0.023 0.000 2.362 160 L HA 0.686 5.026 4.340 0.000 0.000 0.275 160 L C -0.672 176.226 176.870 0.046 0.000 0.998 160 L CA 0.259 55.066 54.840 -0.054 0.000 0.820 160 L CB 1.720 43.625 42.059 -0.256 0.000 1.270 160 L HN 0.821 nan 8.230 nan 0.000 0.415 161 Q N 2.751 122.615 119.800 0.107 0.000 2.345 161 Q HA 0.334 4.674 4.340 0.000 0.000 0.275 161 Q C -1.411 174.691 176.000 0.169 0.000 1.063 161 Q CA -0.695 55.203 55.803 0.159 0.000 0.819 161 Q CB 2.080 30.884 28.738 0.111 0.000 1.356 161 Q HN 0.717 nan 8.270 nan 0.000 0.418 162 E N 1.975 122.241 120.200 0.110 0.000 2.338 162 E HA 0.046 4.396 4.350 0.000 0.000 0.272 162 E C -1.490 175.081 176.600 -0.049 0.000 1.029 162 E CA -0.119 56.171 56.400 -0.185 0.000 0.872 162 E CB 0.671 30.146 29.700 -0.376 0.000 1.015 162 E HN 0.477 nan 8.360 nan 0.000 0.417 163 Y N 2.610 122.794 120.300 -0.194 0.000 2.323 163 Y HA 0.193 4.743 4.550 0.000 0.000 0.331 163 Y C -0.351 175.495 175.900 -0.091 0.000 1.092 163 Y CA -0.399 57.645 58.100 -0.093 0.000 1.150 163 Y CB 1.595 40.026 38.460 -0.047 0.000 1.200 163 Y HN 0.300 nan 8.280 nan 0.000 0.472 164 S N 5.179 120.483 115.700 -0.660 0.000 2.420 164 S HA 0.297 4.767 4.470 0.000 0.000 0.313 164 S C 0.586 174.748 174.600 -0.729 0.000 1.079 164 S CA -0.696 57.200 58.200 -0.507 0.000 1.104 164 S CB 0.358 63.377 63.200 -0.301 0.000 0.969 164 S HN 0.719 nan 8.310 nan 0.000 0.471 165 V N 5.037 124.747 119.914 -0.341 0.000 2.407 165 V HA -0.123 3.998 4.120 0.000 0.000 0.248 165 V C 2.450 178.512 176.094 -0.054 0.000 1.055 165 V CA 2.083 64.353 62.300 -0.050 0.000 1.049 165 V CB -0.555 31.392 31.823 0.206 0.000 0.662 165 V HN 0.892 nan 8.190 nan 0.000 0.455 166 E N -0.237 119.916 120.200 -0.079 0.000 2.072 166 E HA -0.217 4.133 4.350 0.000 0.000 0.190 166 E C 2.254 178.816 176.600 -0.064 0.000 0.982 166 E CA 1.095 57.466 56.400 -0.047 0.000 0.803 166 E CB 0.002 29.680 29.700 -0.038 0.000 0.755 166 E HN 0.664 nan 8.360 nan 0.000 0.453 167 Q N -0.148 119.582 119.800 -0.117 0.000 2.389 167 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 167 Q C 0.114 176.060 176.000 -0.090 0.000 0.944 167 Q CA 0.480 56.226 55.803 -0.095 0.000 0.908 167 Q CB 0.253 28.930 28.738 -0.100 0.000 1.002 167 Q HN 0.127 nan 8.270 nan 0.000 0.493 168 K N 0.678 120.977 120.400 -0.167 0.000 3.209 168 K HA -0.219 4.101 4.320 0.000 0.000 0.289 168 K C -0.639 175.992 176.600 0.051 0.000 1.191 168 K CA 1.155 57.425 56.287 -0.028 0.000 0.851 168 K CB -1.438 31.121 32.500 0.099 0.000 1.242 168 K HN 0.311 nan 8.250 nan 0.000 0.480 169 K N -0.317 120.016 120.400 -0.112 0.000 2.480 169 K HA 0.566 4.886 4.320 0.000 0.000 0.258 169 K C -0.480 176.098 176.600 -0.035 0.000 0.990 169 K CA -1.215 55.086 56.287 0.023 0.000 0.857 169 K CB 1.556 34.073 32.500 0.029 0.000 1.384 169 K HN -0.050 nan 8.250 nan 0.000 0.446 170 L N 1.664 122.942 121.223 0.091 0.000 2.439 170 L HA 0.326 4.666 4.340 0.000 0.000 0.269 170 L C 0.106 176.988 176.870 0.019 0.000 1.179 170 L CA -0.706 54.183 54.840 0.082 0.000 0.828 170 L CB 1.100 43.212 42.059 0.087 0.000 1.106 170 L HN 0.561 nan 8.230 nan 0.000 0.467 171 V N -0.738 119.179 119.914 0.006 0.000 3.040 171 V HA 1.021 5.141 4.120 0.000 0.000 0.312 171 V C 0.281 176.394 176.094 0.032 0.000 1.115 171 V CA 0.159 62.459 62.300 0.000 0.000 0.998 171 V CB 1.083 32.883 31.823 -0.039 0.000 1.042 171 V HN 1.023 nan 8.190 nan 0.000 0.433 172 G N 1.057 109.878 108.800 0.035 0.000 2.554 172 G HA2 -0.103 3.857 3.960 0.000 0.000 0.253 172 G HA3 -0.103 3.857 3.960 0.000 0.000 0.253 172 G C -0.284 174.654 174.900 0.064 0.000 1.172 172 G CA 0.496 45.628 45.100 0.053 0.000 0.950 172 G HN 1.252 nan 8.290 nan 0.000 0.557 173 E N 1.538 121.792 120.200 0.089 0.000 2.287 173 E HA 0.446 4.796 4.350 0.000 0.000 0.274 173 E C -2.680 173.992 176.600 0.120 0.000 0.896 173 E CA -1.464 54.988 56.400 0.087 0.000 0.788 173 E CB 2.833 32.572 29.700 0.066 0.000 1.244 173 E HN 0.370 nan 8.360 nan 0.000 0.408 174 P HA 0.225 nan 4.420 nan 0.000 0.275 174 P C -0.946 176.407 177.300 0.088 0.000 1.227 174 P CA -0.156 63.009 63.100 0.108 0.000 0.781 174 P CB 1.123 32.885 31.700 0.104 0.000 0.906 175 K N 2.002 122.464 120.400 0.103 0.000 2.498 175 K HA 0.451 4.771 4.320 0.000 0.000 0.254 175 K C -0.426 176.199 176.600 0.042 0.000 0.933 175 K CA -1.009 55.333 56.287 0.092 0.000 0.806 175 K CB 1.979 34.608 32.500 0.216 0.000 1.301 175 K HN 0.318 nan 8.250 nan 0.000 0.432 176 I N 4.654 125.227 120.570 0.005 0.000 2.452 176 I HA 0.039 4.209 4.170 0.000 0.000 0.287 176 I C 1.523 177.674 176.117 0.057 0.000 1.079 176 I CA 0.327 61.628 61.300 0.002 0.000 1.387 176 I CB 0.161 38.149 38.000 -0.021 0.000 1.404 176 I HN 0.717 nan 8.210 nan 0.000 0.522 177 I N 3.023 123.624 120.570 0.051 0.000 3.526 177 I HA 0.285 4.455 4.170 0.000 0.000 0.294 177 I C 0.081 176.320 176.117 0.203 0.000 1.229 177 I CA 0.547 61.909 61.300 0.103 0.000 1.408 177 I CB 0.474 38.461 38.000 -0.021 0.000 1.127 177 I HN 0.283 nan 8.210 nan 0.000 0.439 178 F N 1.587 121.489 119.950 -0.079 0.000 2.596 178 F HA 0.485 5.012 4.527 0.000 0.000 0.311 178 F C 0.239 176.000 175.800 -0.065 0.000 1.116 178 F CA -1.201 56.750 58.000 -0.082 0.000 0.957 178 F CB 1.786 40.674 39.000 -0.187 0.000 1.250 178 F HN -0.283 nan 8.300 nan 0.000 0.444 179 K N 2.772 122.820 120.400 -0.586 0.000 2.244 179 K HA 0.536 4.856 4.320 0.000 0.000 0.200 179 K C 0.714 176.906 176.600 -0.680 0.000 1.052 179 K CA 0.836 56.817 56.287 -0.509 0.000 0.980 179 K CB 0.014 32.288 32.500 -0.377 0.000 0.838 179 K HN 0.944 nan 8.250 nan 0.000 0.481 180 G N 0.875 108.877 108.800 -1.329 0.000 2.408 180 G HA2 -0.171 3.789 3.960 0.000 0.000 0.682 180 G HA3 -0.171 3.789 3.960 0.000 0.000 0.682 180 G C -0.285 174.328 174.900 -0.477 0.000 1.303 180 G CA -0.389 44.165 45.100 -0.911 0.000 0.966 180 G HN 0.173 nan 8.290 nan 0.000 0.560 181 T N -2.511 111.932 114.554 -0.186 0.000 2.862 181 T HA 0.518 4.868 4.350 0.000 0.000 0.276 181 T C 1.438 176.051 174.700 -0.145 0.000 0.974 181 T CA 0.884 62.918 62.100 -0.109 0.000 0.966 181 T CB 1.319 70.167 68.868 -0.034 0.000 1.072 181 T HN 1.170 nan 8.240 nan 0.000 0.538 182 D N 0.147 120.468 120.400 -0.132 0.000 2.351 182 D HA -0.107 4.533 4.640 0.000 0.000 0.216 182 D C 1.769 177.961 176.300 -0.180 0.000 0.968 182 D CA 0.734 54.641 54.000 -0.155 0.000 0.899 182 D CB -0.695 40.028 40.800 -0.130 0.000 0.907 182 D HN 0.553 nan 8.370 nan 0.000 0.514 183 L N -0.783 120.342 121.223 -0.165 0.000 2.141 183 L HA -0.072 4.268 4.340 0.000 0.000 0.209 183 L C 1.321 178.073 176.870 -0.196 0.000 1.094 183 L CA 0.463 55.196 54.840 -0.179 0.000 0.763 183 L CB -0.361 41.615 42.059 -0.139 0.000 0.908 183 L HN -0.029 nan 8.230 nan 0.000 0.437 184 R N -1.103 119.285 120.500 -0.187 0.000 3.819 184 R HA -0.255 4.085 4.340 0.000 0.000 0.488 184 R C 0.775 177.008 176.300 -0.112 0.000 0.241 184 R CA 1.210 57.200 56.100 -0.185 0.000 1.530 184 R CB -1.342 28.662 30.300 -0.494 0.000 1.019 184 R HN 0.318 nan 8.270 nan 0.000 0.557 185 I N -0.944 119.624 120.570 -0.004 0.000 6.532 185 I HA -0.259 3.911 4.170 0.000 0.000 0.126 185 I C 0.037 175.952 176.117 -0.336 0.000 1.811 185 I CA 1.253 62.183 61.300 -0.616 0.000 2.115 185 I CB -1.964 35.679 38.000 -0.594 0.000 3.474 185 I HN 0.462 nan 8.210 nan 0.000 0.192 186 T N 2.830 117.402 114.554 0.031 0.000 2.751 186 T HA 0.379 4.729 4.350 0.000 0.000 0.290 186 T C 0.576 175.470 174.700 0.324 0.000 0.919 186 T CA -0.043 62.151 62.100 0.157 0.000 1.136 186 T CB 0.626 69.566 68.868 0.120 0.000 0.875 186 T HN 0.689 nan 8.240 nan 0.000 0.532 187 E N 1.702 122.082 120.200 0.301 0.000 2.419 187 E HA 0.621 4.971 4.350 0.000 0.000 0.222 187 E C 0.545 177.284 176.600 0.233 0.000 0.826 187 E CA -1.513 55.111 56.400 0.374 0.000 0.903 187 E CB 0.033 30.117 29.700 0.641 0.000 1.838 187 E HN 0.442 nan 8.360 nan 0.000 0.403 188 G N 2.274 111.234 108.800 0.267 0.000 2.424 188 G HA2 -0.188 3.772 3.960 0.000 0.000 0.290 188 G HA3 -0.188 3.772 3.960 0.000 0.000 0.290 188 G C -2.243 172.443 174.900 -0.355 0.000 0.912 188 G CA 0.329 45.403 45.100 -0.044 0.000 1.142 188 G HN 0.346 nan 8.290 nan 0.000 0.501 189 P HA 0.275 nan 4.420 nan 0.000 0.275 189 P C -0.379 176.615 177.300 -0.510 0.000 1.227 189 P CA 0.170 63.104 63.100 -0.278 0.000 0.781 189 P CB 1.096 32.703 31.700 -0.155 0.000 0.906 190 H N 1.851 120.851 119.070 -0.117 0.000 2.759 190 H HA 0.411 4.967 4.556 0.000 0.000 0.354 190 H C -0.316 174.801 175.328 -0.351 0.000 1.074 190 H CA -0.615 55.290 56.048 -0.237 0.000 1.226 190 H CB 1.521 31.224 29.762 -0.098 0.000 1.648 190 H HN 0.309 nan 8.280 nan 0.000 0.529 191 L N 3.526 124.521 121.223 -0.380 0.000 2.309 191 L HA 0.395 4.735 4.340 0.000 0.000 0.282 191 L C -0.971 175.557 176.870 -0.571 0.000 1.036 191 L CA -0.653 53.883 54.840 -0.507 0.000 0.806 191 L CB 0.755 42.301 42.059 -0.856 0.000 1.220 191 L HN 0.481 nan 8.230 nan 0.000 0.429 192 Y N 1.669 122.024 120.300 0.092 0.000 2.457 192 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 192 Y C -0.353 175.770 175.900 0.372 0.000 0.994 192 Y CA -1.137 57.152 58.100 0.316 0.000 1.031 192 Y CB 1.819 40.485 38.460 0.343 0.000 1.246 192 Y HN 0.293 nan 8.280 nan 0.000 0.449 193 K N 3.825 124.586 120.400 0.602 0.000 2.292 193 K HA 0.685 5.005 4.320 0.000 0.000 0.270 193 K C -1.785 175.013 176.600 0.329 0.000 1.062 193 K CA -0.053 56.499 56.287 0.441 0.000 0.916 193 K CB -0.039 32.734 32.500 0.455 0.000 1.166 193 K HN 0.658 nan 8.250 nan 0.000 0.458 194 I N 3.666 124.448 120.570 0.352 0.000 2.619 194 I HA 0.374 4.544 4.170 0.000 0.000 0.292 194 I C 0.191 176.456 176.117 0.247 0.000 1.100 194 I CA -0.930 60.505 61.300 0.225 0.000 1.043 194 I CB 2.075 40.160 38.000 0.141 0.000 1.239 194 I HN 0.906 nan 8.210 nan 0.000 0.420 195 N N 2.608 121.356 118.700 0.080 0.000 2.126 195 N HA -0.184 4.556 4.740 0.000 0.000 0.153 195 N C 0.654 176.148 175.510 -0.027 0.000 0.867 195 N CA 1.380 54.462 53.050 0.053 0.000 0.900 195 N CB -0.695 37.905 38.487 0.189 0.000 0.957 195 N HN 1.009 nan 8.380 nan 0.000 0.636 196 G N -1.328 107.389 108.800 -0.139 0.000 3.591 196 G HA2 0.367 4.327 3.960 0.000 0.000 0.282 196 G HA3 0.367 4.327 3.960 0.000 0.000 0.282 196 G C -1.207 173.403 174.900 -0.483 0.000 1.238 196 G CA 0.310 45.227 45.100 -0.304 0.000 0.993 196 G HN 0.376 nan 8.290 nan 0.000 0.542 197 Y N -1.123 119.066 120.300 -0.184 0.000 2.499 197 Y HA 0.524 5.074 4.550 0.000 0.000 0.347 197 Y C -0.819 174.897 175.900 -0.306 0.000 0.987 197 Y CA -1.674 56.242 58.100 -0.307 0.000 1.044 197 Y CB 1.622 39.788 38.460 -0.489 0.000 1.245 197 Y HN 0.076 nan 8.280 nan 0.000 0.461 198 Y N 1.765 122.044 120.300 -0.035 0.000 2.327 198 Y HA 0.317 4.867 4.550 0.000 0.000 0.336 198 Y C -0.975 174.891 175.900 -0.058 0.000 1.035 198 Y CA -0.755 57.345 58.100 -0.000 0.000 1.165 198 Y CB 0.429 38.872 38.460 -0.030 0.000 1.181 198 Y HN 0.424 nan 8.280 nan 0.000 0.494 199 Y N 4.330 124.812 120.300 0.302 0.000 2.385 199 Y HA 0.329 4.879 4.550 0.000 0.000 0.341 199 Y C -0.527 175.487 175.900 0.190 0.000 0.965 199 Y CA -0.837 57.416 58.100 0.255 0.000 1.180 199 Y CB 0.934 39.566 38.460 0.287 0.000 1.139 199 Y HN 0.412 nan 8.280 nan 0.000 0.502 200 L N 6.194 127.517 121.223 0.167 0.000 2.259 200 L HA 0.451 4.791 4.340 0.000 0.000 0.288 200 L C -1.195 175.657 176.870 -0.031 0.000 1.051 200 L CA -0.654 54.109 54.840 -0.129 0.000 0.824 200 L CB 0.327 41.959 42.059 -0.713 0.000 1.206 200 L HN 0.578 nan 8.230 nan 0.000 0.429 201 L N 5.687 126.976 121.223 0.109 0.000 2.289 201 L HA 0.787 5.127 4.340 0.000 0.000 0.285 201 L C -0.155 176.755 176.870 0.066 0.000 1.049 201 L CA 0.337 55.272 54.840 0.158 0.000 0.804 201 L CB 1.525 43.792 42.059 0.348 0.000 1.195 201 L HN 0.820 nan 8.230 nan 0.000 0.428 202 T N 2.323 116.919 114.554 0.071 0.000 2.909 202 T HA 0.870 5.220 4.350 0.000 0.000 0.299 202 T C -0.407 174.358 174.700 0.108 0.000 1.073 202 T CA -0.492 61.656 62.100 0.079 0.000 0.999 202 T CB 1.467 70.436 68.868 0.169 0.000 1.098 202 T HN 0.870 nan 8.240 nan 0.000 0.477 203 A N 1.787 124.686 122.820 0.132 0.000 2.331 203 A HA 0.728 5.048 4.320 0.000 0.000 0.283 203 A C 0.029 177.753 177.584 0.234 0.000 1.142 203 A CA -0.563 51.621 52.037 0.245 0.000 0.812 203 A CB 0.290 19.560 19.000 0.449 0.000 1.074 203 A HN 0.891 nan 8.150 nan 0.000 0.497 204 E N -0.068 120.272 120.200 0.232 0.000 2.429 204 E HA 0.540 4.890 4.350 0.000 0.000 0.276 204 E C 0.441 177.094 176.600 0.088 0.000 0.953 204 E CA -0.357 56.106 56.400 0.105 0.000 0.787 204 E CB 1.885 31.618 29.700 0.054 0.000 1.307 204 E HN 1.403 nan 8.360 nan 0.000 0.458 205 G N 0.636 109.404 108.800 -0.053 0.000 2.179 205 G HA2 -0.140 3.820 3.960 0.000 0.000 0.260 205 G HA3 -0.140 3.820 3.960 0.000 0.000 0.260 205 G C 0.537 175.364 174.900 -0.121 0.000 0.977 205 G CA 0.229 45.274 45.100 -0.091 0.000 0.641 205 G HN 1.327 nan 8.290 nan 0.000 0.533 206 G N -1.925 106.752 108.800 -0.205 0.000 2.721 206 G HA2 0.254 4.214 3.960 0.000 0.000 0.686 206 G HA3 0.254 4.214 3.960 0.000 0.000 0.686 206 G C 0.343 174.956 174.900 -0.480 0.000 1.236 206 G CA 0.770 45.711 45.100 -0.265 0.000 0.786 206 G HN 1.712 nan 8.290 nan 0.000 0.616 207 T N 1.451 115.720 114.554 -0.475 0.000 3.650 207 T HA 0.217 4.567 4.350 0.000 0.000 0.254 207 T C 1.369 176.007 174.700 -0.104 0.000 1.130 207 T CA 1.653 63.512 62.100 -0.401 0.000 0.984 207 T CB -0.553 68.228 68.868 -0.145 0.000 1.039 207 T HN 0.608 nan 8.240 nan 0.000 0.586 208 R N -1.067 119.369 120.500 -0.107 0.000 3.107 208 R HA 0.401 4.741 4.340 0.000 0.000 0.220 208 R C 0.566 176.811 176.300 -0.091 0.000 1.602 208 R CA -0.767 55.253 56.100 -0.134 0.000 1.005 208 R CB 0.167 30.453 30.300 -0.025 0.000 2.057 208 R HN 0.156 nan 8.270 nan 0.000 0.531 209 Y N 0.537 120.910 120.300 0.122 0.000 2.639 209 Y HA -0.013 4.537 4.550 0.000 0.000 0.297 209 Y C 0.916 176.978 175.900 0.269 0.000 1.151 209 Y CA 0.967 59.172 58.100 0.175 0.000 1.335 209 Y CB -0.449 38.086 38.460 0.124 0.000 0.994 209 Y HN 0.454 nan 8.280 nan 0.000 0.548 210 N N -1.641 117.217 118.700 0.263 0.000 2.270 210 N HA -0.013 4.727 4.740 0.000 0.000 0.198 210 N C -0.005 175.576 175.510 0.119 0.000 1.117 210 N CA -0.151 52.957 53.050 0.096 0.000 0.845 210 N CB 0.025 38.439 38.487 -0.122 0.000 0.980 210 N HN 0.385 nan 8.380 nan 0.000 0.486 211 H N 0.997 120.115 119.070 0.080 0.000 2.972 211 H HA 0.254 4.810 4.556 0.000 0.000 0.343 211 H C -0.360 175.014 175.328 0.076 0.000 1.054 211 H CA -0.343 55.746 56.048 0.068 0.000 1.412 211 H CB 0.553 30.367 29.762 0.088 0.000 1.385 211 H HN 0.167 nan 8.280 nan 0.000 0.600 212 A N 2.845 125.834 122.820 0.282 0.000 2.539 212 A HA 0.647 4.968 4.320 0.000 0.000 0.296 212 A C -1.271 176.311 177.584 -0.003 0.000 1.073 212 A CA -0.219 51.859 52.037 0.069 0.000 0.700 212 A CB 1.408 20.443 19.000 0.058 0.000 1.296 212 A HN 0.817 nan 8.150 nan 0.000 0.405 213 A N 0.985 123.772 122.820 -0.055 0.000 2.274 213 A HA 0.703 5.023 4.320 0.000 0.000 0.309 213 A C 0.084 177.661 177.584 -0.011 0.000 1.226 213 A CA -0.151 51.871 52.037 -0.024 0.000 0.853 213 A CB 0.091 19.065 19.000 -0.044 0.000 1.146 213 A HN 0.805 nan 8.150 nan 0.000 0.518 214 T N 2.571 117.146 114.554 0.036 0.000 2.855 214 T HA 0.626 4.976 4.350 0.000 0.000 0.281 214 T C -0.579 174.161 174.700 0.067 0.000 1.007 214 T CA -0.109 62.015 62.100 0.040 0.000 1.009 214 T CB 1.049 69.976 68.868 0.098 0.000 0.983 214 T HN 0.607 nan 8.240 nan 0.000 0.455 215 I N 1.756 122.371 120.570 0.076 0.000 2.686 215 I HA 0.786 4.956 4.170 0.000 0.000 0.295 215 I C -1.107 175.150 176.117 0.234 0.000 1.114 215 I CA -0.609 60.790 61.300 0.165 0.000 1.038 215 I CB 1.440 39.576 38.000 0.227 0.000 1.238 215 I HN 0.802 nan 8.210 nan 0.000 0.420 216 A N 6.489 129.438 122.820 0.215 0.000 2.564 216 A HA 0.957 5.277 4.320 0.000 0.000 0.288 216 A C -1.377 176.356 177.584 0.249 0.000 1.164 216 A CA -0.752 51.442 52.037 0.262 0.000 0.712 216 A CB 1.921 20.856 19.000 -0.109 0.000 1.303 216 A HN 0.797 nan 8.150 nan 0.000 0.418 217 R N -0.517 120.069 120.500 0.143 0.000 2.707 217 R HA 0.834 5.174 4.340 0.000 0.000 0.272 217 R C -1.287 174.830 176.300 -0.306 0.000 1.011 217 R CA -0.179 55.752 56.100 -0.280 0.000 0.893 217 R CB 1.607 31.208 30.300 -1.165 0.000 1.233 217 R HN 1.069 nan 8.270 nan 0.000 0.464 218 S N -0.442 114.994 115.700 -0.439 0.000 2.550 218 S HA 0.251 4.721 4.470 0.000 0.000 0.270 218 S C 0.553 175.105 174.600 -0.079 0.000 1.145 218 S CA -0.030 57.916 58.200 -0.423 0.000 0.852 218 S CB 1.779 64.311 63.200 -1.112 0.000 1.119 218 S HN 0.790 nan 8.310 nan 0.000 0.465 219 T N 0.402 114.958 114.554 0.003 0.000 2.770 219 T HA 0.100 4.450 4.350 0.000 0.000 0.263 219 T C 1.209 175.942 174.700 0.055 0.000 1.039 219 T CA 1.307 63.380 62.100 -0.045 0.000 1.142 219 T CB -0.561 68.242 68.868 -0.108 0.000 0.868 219 T HN 0.615 nan 8.240 nan 0.000 0.435 220 S N 0.387 116.089 115.700 0.003 0.000 2.580 220 S HA 0.296 4.766 4.470 0.000 0.000 0.274 220 S C 0.912 175.507 174.600 -0.009 0.000 1.329 220 S CA -0.812 57.421 58.200 0.055 0.000 1.036 220 S CB 0.886 64.100 63.200 0.023 0.000 0.919 220 S HN 0.351 nan 8.310 nan 0.000 0.515 221 L N 4.423 125.619 121.223 -0.045 0.000 2.291 221 L HA 0.232 4.572 4.340 0.000 0.000 0.214 221 L C 0.861 177.618 176.870 -0.189 0.000 1.120 221 L CA 1.707 56.290 54.840 -0.429 0.000 0.799 221 L CB -0.576 41.046 42.059 -0.729 0.000 0.925 221 L HN 0.856 nan 8.230 nan 0.000 0.446 222 Y N -0.406 119.862 120.300 -0.054 0.000 2.457 222 Y HA 0.517 5.067 4.550 0.000 0.000 0.263 222 Y C 1.420 177.397 175.900 0.128 0.000 1.164 222 Y CA 0.132 58.262 58.100 0.049 0.000 1.274 222 Y CB -0.114 38.355 38.460 0.014 0.000 1.097 222 Y HN 0.191 nan 8.280 nan 0.000 0.523 223 G N 0.491 109.378 108.800 0.144 0.000 2.660 223 G HA2 -0.154 3.807 3.960 0.000 0.000 0.247 223 G HA3 -0.154 3.807 3.960 0.000 0.000 0.247 223 G C -2.821 172.096 174.900 0.028 0.000 1.328 223 G CA -1.362 43.777 45.100 0.064 0.000 0.884 223 G HN -0.000 nan 8.290 nan 0.000 0.531 224 P HA 0.526 nan 4.420 nan 0.000 0.279 224 P C -0.920 176.413 177.300 0.055 0.000 1.239 224 P CA -0.199 62.976 63.100 0.124 0.000 0.789 224 P CB 0.300 32.066 31.700 0.109 0.000 0.933 225 Y N 1.020 121.368 120.300 0.079 0.000 2.350 225 Y HA 0.151 4.701 4.550 0.000 0.000 0.340 225 Y C 1.400 177.342 175.900 0.070 0.000 1.006 225 Y CA -0.339 57.762 58.100 0.002 0.000 1.166 225 Y CB 0.674 39.020 38.460 -0.190 0.000 1.168 225 Y HN 0.402 nan 8.280 nan 0.000 0.502 226 E N 2.281 122.580 120.200 0.165 0.000 2.283 226 E HA 0.448 4.798 4.350 0.000 0.000 0.278 226 E C -1.155 175.593 176.600 0.248 0.000 1.027 226 E CA -0.674 55.839 56.400 0.188 0.000 0.843 226 E CB 1.271 31.064 29.700 0.155 0.000 1.062 226 E HN 0.304 nan 8.360 nan 0.000 0.401 227 V N 3.203 123.208 119.914 0.151 0.000 2.607 227 V HA 0.002 4.122 4.120 0.000 0.000 0.289 227 V C 0.762 176.682 176.094 -0.291 0.000 1.053 227 V CA -0.696 61.635 62.300 0.052 0.000 0.996 227 V CB 0.896 32.770 31.823 0.085 0.000 0.995 227 V HN 0.739 nan 8.190 nan 0.000 0.476 228 H N 7.568 126.211 119.070 -0.711 0.000 3.195 228 H HA -0.020 4.536 4.556 0.000 0.000 0.302 228 H C -1.449 173.388 175.328 -0.820 0.000 0.950 228 H CA -0.983 54.249 56.048 -1.361 0.000 1.398 228 H CB 1.295 30.576 29.762 -0.802 0.000 1.377 228 H HN 0.421 nan 8.280 nan 0.000 0.572 229 P HA -0.072 nan 4.420 nan 0.000 0.225 229 P C -0.054 177.203 177.300 -0.071 0.000 1.148 229 P CA 0.994 63.927 63.100 -0.279 0.000 0.779 229 P CB 0.600 32.133 31.700 -0.279 0.000 0.780 230 D N -1.026 119.418 120.400 0.073 0.000 2.650 230 D HA 0.079 4.719 4.640 0.000 0.000 0.265 230 D C 0.151 176.296 176.300 -0.259 0.000 1.339 230 D CA -0.419 53.560 54.000 -0.036 0.000 0.816 230 D CB -0.650 40.213 40.800 0.105 0.000 1.091 230 D HN 0.080 nan 8.370 nan 0.000 0.483 231 N N 2.854 121.383 118.700 -0.286 0.000 2.407 231 N HA 0.058 4.798 4.740 0.000 0.000 0.250 231 N C -2.093 173.321 175.510 -0.160 0.000 1.236 231 N CA -0.461 52.409 53.050 -0.300 0.000 0.879 231 N CB 0.731 39.115 38.487 -0.172 0.000 1.088 231 N HN -0.057 nan 8.380 nan 0.000 0.450 232 P HA 0.049 nan 4.420 nan 0.000 0.276 232 P C 0.520 177.669 177.300 -0.251 0.000 1.244 232 P CA -0.452 62.556 63.100 -0.152 0.000 0.801 232 P CB 0.886 32.553 31.700 -0.055 0.000 1.006 233 L N 1.395 122.457 121.223 -0.268 0.000 2.095 233 L HA 0.184 4.524 4.340 0.000 0.000 0.204 233 L C 0.492 177.256 176.870 -0.176 0.000 1.080 233 L CA 1.637 56.298 54.840 -0.298 0.000 0.759 233 L CB -0.473 41.445 42.059 -0.235 0.000 0.914 233 L HN 0.350 nan 8.230 nan 0.000 0.439 234 L N -0.855 120.290 121.223 -0.129 0.000 2.436 234 L HA 0.662 5.002 4.340 0.000 0.000 0.268 234 L C -0.881 175.948 176.870 -0.069 0.000 0.974 234 L CA 0.207 54.972 54.840 -0.126 0.000 0.826 234 L CB 1.938 43.873 42.059 -0.207 0.000 1.291 234 L HN 0.053 nan 8.230 nan 0.000 0.406 235 T N 1.500 116.056 114.554 0.004 0.000 2.886 235 T HA 0.396 4.746 4.350 0.000 0.000 0.330 235 T C -0.165 174.673 174.700 0.231 0.000 1.488 235 T CA -0.018 62.153 62.100 0.119 0.000 1.054 235 T CB 1.574 70.551 68.868 0.181 0.000 1.348 235 T HN 0.544 nan 8.240 nan 0.000 0.489 236 S N 1.254 117.120 115.700 0.276 0.000 2.523 236 S HA 0.125 4.595 4.470 0.000 0.000 0.217 236 S C 1.129 175.945 174.600 0.360 0.000 0.996 236 S CA -0.347 58.056 58.200 0.338 0.000 0.921 236 S CB -0.101 63.253 63.200 0.257 0.000 0.829 236 S HN 0.739 nan 8.310 nan 0.000 0.495 237 W N 4.326 125.718 121.300 0.154 0.000 2.317 237 W HA -0.110 4.550 4.660 0.000 0.000 0.318 237 W C -1.790 174.694 176.519 -0.057 0.000 1.227 237 W CA 1.671 59.057 57.345 0.068 0.000 1.269 237 W CB -1.263 28.224 29.460 0.045 0.000 1.155 237 W HN 0.196 nan 8.180 nan 0.000 0.484 238 P HA -0.029 nan 4.420 nan 0.000 0.249 238 P C -1.092 175.630 177.300 -0.964 0.000 1.241 238 P CA 1.114 63.674 63.100 -0.898 0.000 0.781 238 P CB -0.418 30.771 31.700 -0.851 0.000 1.088 239 Y N -0.322 119.895 120.300 -0.139 0.000 2.658 239 Y HA 0.300 4.850 4.550 0.000 0.000 0.362 239 Y C -1.535 174.319 175.900 -0.077 0.000 1.017 239 Y CA -2.570 55.478 58.100 -0.087 0.000 1.134 239 Y CB 0.694 39.137 38.460 -0.028 0.000 1.144 239 Y HN -0.025 nan 8.280 nan 0.000 0.655 240 P HA -0.094 nan 4.420 nan 0.000 0.226 240 P C 0.869 178.157 177.300 -0.021 0.000 1.153 240 P CA 1.182 64.238 63.100 -0.073 0.000 0.777 240 P CB 0.440 32.047 31.700 -0.156 0.000 0.794 241 R N -1.320 119.188 120.500 0.013 0.000 2.280 241 R HA 0.102 4.442 4.340 0.000 0.000 0.195 241 R C 1.085 177.412 176.300 0.045 0.000 0.935 241 R CA -0.321 55.790 56.100 0.019 0.000 1.033 241 R CB -0.320 29.987 30.300 0.012 0.000 0.964 241 R HN 0.136 nan 8.270 nan 0.000 0.489 242 N N 2.435 121.181 118.700 0.077 0.000 2.357 242 N HA -0.051 4.689 4.740 0.000 0.000 0.257 242 N C -1.556 174.006 175.510 0.087 0.000 1.250 242 N CA -0.723 52.375 53.050 0.080 0.000 0.862 242 N CB 1.149 39.698 38.487 0.105 0.000 1.066 242 N HN -0.030 nan 8.380 nan 0.000 0.468 243 P HA -0.066 nan 4.420 nan 0.000 0.220 243 P C -0.068 177.313 177.300 0.136 0.000 1.148 243 P CA 1.153 64.313 63.100 0.100 0.000 0.803 243 P CB 0.320 32.076 31.700 0.093 0.000 0.782 244 L N 0.340 121.645 121.223 0.137 0.000 2.294 244 L HA 0.349 4.689 4.340 0.000 0.000 0.283 244 L C 0.547 177.527 176.870 0.184 0.000 1.015 244 L CA -0.654 54.284 54.840 0.164 0.000 0.831 244 L CB 1.170 43.328 42.059 0.164 0.000 1.217 244 L HN -0.145 nan 8.230 nan 0.000 0.420 245 Q N 2.114 122.040 119.800 0.210 0.000 2.252 245 Q HA 0.406 4.746 4.340 0.000 0.000 0.256 245 Q C -0.164 175.949 176.000 0.189 0.000 1.020 245 Q CA -0.852 55.099 55.803 0.247 0.000 0.913 245 Q CB 1.557 30.528 28.738 0.387 0.000 1.286 245 Q HN 0.394 nan 8.270 nan 0.000 0.480 246 K N -1.008 119.499 120.400 0.178 0.000 3.071 246 K HA -0.187 4.133 4.320 0.000 0.000 0.265 246 K C -0.582 176.144 176.600 0.209 0.000 1.060 246 K CA 0.582 56.958 56.287 0.149 0.000 0.767 246 K CB -1.965 30.540 32.500 0.008 0.000 1.241 246 K HN 0.648 nan 8.250 nan 0.000 0.486 247 A N 1.029 123.943 122.820 0.157 0.000 2.438 247 A HA 0.591 4.911 4.320 0.000 0.000 0.280 247 A C 0.937 178.423 177.584 -0.163 0.000 1.160 247 A CA 0.860 52.931 52.037 0.056 0.000 0.821 247 A CB 0.509 19.480 19.000 -0.049 0.000 1.101 247 A HN 0.649 nan 8.150 nan 0.000 0.515 248 G N 0.687 109.326 108.800 -0.269 0.000 2.348 248 G HA2 0.404 4.364 3.960 0.000 0.000 0.296 248 G HA3 0.404 4.364 3.960 0.000 0.000 0.296 248 G C -0.260 174.512 174.900 -0.212 0.000 1.258 248 G CA 0.036 44.772 45.100 -0.606 0.000 0.868 248 G HN 1.347 nan 8.290 nan 0.000 0.488 249 H N -0.507 118.443 119.070 -0.200 0.000 2.591 249 H HA -0.057 4.499 4.556 0.000 0.000 0.325 249 H C 0.308 175.769 175.328 0.223 0.000 1.096 249 H CA 1.090 57.243 56.048 0.175 0.000 1.108 249 H CB -1.215 28.734 29.762 0.312 0.000 1.590 249 H HN 1.493 nan 8.280 nan 0.000 0.399 250 A N 2.308 125.220 122.820 0.152 0.000 2.295 250 A HA 0.680 5.000 4.320 0.000 0.000 0.318 250 A C 0.053 177.806 177.584 0.282 0.000 1.134 250 A CA 0.160 52.327 52.037 0.217 0.000 0.827 250 A CB 1.173 20.266 19.000 0.155 0.000 1.136 250 A HN 0.679 nan 8.150 nan 0.000 0.493 251 S N 0.608 116.463 115.700 0.259 0.000 2.541 251 S HA 0.700 5.171 4.470 0.000 0.000 0.280 251 S C -0.718 174.001 174.600 0.198 0.000 1.112 251 S CA -0.510 57.843 58.200 0.256 0.000 0.925 251 S CB 0.946 64.228 63.200 0.136 0.000 1.067 251 S HN 0.537 nan 8.310 nan 0.000 0.479 252 I N 2.119 122.734 120.570 0.075 0.000 2.365 252 I HA 0.466 4.636 4.170 0.000 0.000 0.291 252 I C -0.480 175.706 176.117 0.116 0.000 1.004 252 I CA -0.769 60.510 61.300 -0.035 0.000 1.311 252 I CB 1.627 39.369 38.000 -0.430 0.000 1.401 252 I HN 0.534 nan 8.210 nan 0.000 0.491 253 V N 6.969 127.008 119.914 0.209 0.000 2.444 253 V HA 0.323 4.443 4.120 0.000 0.000 0.294 253 V C -0.582 175.611 176.094 0.166 0.000 1.022 253 V CA -0.404 62.046 62.300 0.250 0.000 0.850 253 V CB 1.444 33.458 31.823 0.318 0.000 0.992 253 V HN 0.680 nan 8.190 nan 0.000 0.426 254 H N 5.508 124.545 119.070 -0.055 0.000 2.640 254 H HA 0.407 4.963 4.556 0.000 0.000 0.297 254 H C 0.080 175.381 175.328 -0.046 0.000 1.073 254 H CA 0.180 56.019 56.048 -0.349 0.000 1.305 254 H CB 1.373 30.742 29.762 -0.654 0.000 1.404 254 H HN 0.868 nan 8.280 nan 0.000 0.459 255 T N 1.721 116.107 114.554 -0.280 0.000 2.828 255 T HA -0.014 4.336 4.350 0.000 0.000 0.290 255 T C 1.763 176.431 174.700 -0.054 0.000 1.019 255 T CA -0.508 61.602 62.100 0.015 0.000 1.031 255 T CB 0.645 69.473 68.868 -0.067 0.000 1.001 255 T HN 0.787 nan 8.240 nan 0.000 0.531 256 H N -0.077 119.071 119.070 0.129 0.000 2.491 256 H HA -0.031 4.525 4.556 0.000 0.000 0.290 256 H C 1.232 176.577 175.328 0.028 0.000 1.050 256 H CA 1.436 57.531 56.048 0.078 0.000 1.309 256 H CB -1.170 28.644 29.762 0.087 0.000 1.392 256 H HN 0.744 nan 8.280 nan 0.000 0.554 257 T N -1.081 113.218 114.554 -0.424 0.000 3.330 257 T HA 0.060 4.410 4.350 0.000 0.000 0.249 257 T C 0.038 174.639 174.700 -0.166 0.000 0.980 257 T CA 0.083 62.026 62.100 -0.262 0.000 0.920 257 T CB -0.600 68.083 68.868 -0.309 0.000 1.065 257 T HN 0.189 nan 8.240 nan 0.000 0.588 258 D N 1.507 121.790 120.400 -0.195 0.000 2.740 258 D HA -0.154 4.486 4.640 0.000 0.000 0.231 258 D C -0.368 175.801 176.300 -0.219 0.000 1.194 258 D CA 0.995 54.860 54.000 -0.224 0.000 0.673 258 D CB -1.005 39.807 40.800 0.020 0.000 0.995 258 D HN 0.803 nan 8.370 nan 0.000 0.411 259 E N -0.621 119.345 120.200 -0.390 0.000 2.369 259 E HA 0.636 4.986 4.350 0.000 0.000 0.270 259 E C -0.551 175.854 176.600 -0.325 0.000 0.909 259 E CA -0.928 55.371 56.400 -0.169 0.000 0.775 259 E CB 1.079 30.766 29.700 -0.022 0.000 1.270 259 E HN 0.083 nan 8.360 nan 0.000 0.445 260 W N 1.125 122.233 121.300 -0.320 0.000 2.632 260 W HA 0.580 5.240 4.660 0.000 0.000 0.328 260 W C -0.938 175.263 176.519 -0.530 0.000 1.044 260 W CA -0.352 56.886 57.345 -0.179 0.000 1.225 260 W CB 0.870 30.367 29.460 0.062 0.000 1.396 260 W HN 0.344 nan 8.180 nan 0.000 0.499 261 F N 2.408 122.502 119.950 0.239 0.000 2.613 261 F HA 0.559 5.086 4.527 0.000 0.000 0.310 261 F C -0.970 174.925 175.800 0.159 0.000 1.085 261 F CA -1.135 56.960 58.000 0.158 0.000 0.945 261 F CB 1.668 40.717 39.000 0.082 0.000 1.298 261 F HN -0.012 nan 8.300 nan 0.000 0.455 262 L N 4.065 125.491 121.223 0.338 0.000 2.377 262 L HA 0.666 5.006 4.340 0.000 0.000 0.270 262 L C -0.755 176.286 176.870 0.284 0.000 0.991 262 L CA -0.667 54.324 54.840 0.252 0.000 0.851 262 L CB 1.176 43.338 42.059 0.171 0.000 1.218 262 L HN 0.461 nan 8.230 nan 0.000 0.420 263 V N 1.862 121.913 119.914 0.228 0.000 2.834 263 V HA 0.761 4.881 4.120 0.000 0.000 0.301 263 V C -0.390 175.839 176.094 0.225 0.000 1.066 263 V CA 0.103 62.491 62.300 0.147 0.000 1.052 263 V CB 1.104 32.958 31.823 0.052 0.000 1.021 263 V HN 1.020 nan 8.190 nan 0.000 0.480 264 H N 1.949 121.062 119.070 0.073 0.000 3.003 264 H HA 0.693 5.249 4.556 0.000 0.000 0.327 264 H C -0.905 174.471 175.328 0.080 0.000 1.353 264 H CA -0.988 55.114 56.048 0.089 0.000 1.142 264 H CB 0.999 30.792 29.762 0.052 0.000 1.864 264 H HN 0.945 nan 8.280 nan 0.000 0.529 265 L N -0.638 120.689 121.223 0.175 0.000 2.439 265 L HA 0.844 5.184 4.340 0.000 0.000 0.261 265 L C 0.071 177.054 176.870 0.190 0.000 1.153 265 L CA -0.146 54.769 54.840 0.124 0.000 0.808 265 L CB 1.479 43.653 42.059 0.191 0.000 1.126 265 L HN 0.919 nan 8.230 nan 0.000 0.460 266 T N 0.366 114.997 114.554 0.128 0.000 2.942 266 T HA 0.696 5.046 4.350 0.000 0.000 0.327 266 T C -0.560 174.222 174.700 0.138 0.000 1.360 266 T CA -0.089 62.109 62.100 0.165 0.000 1.055 266 T CB 1.116 70.088 68.868 0.173 0.000 1.261 266 T HN 1.177 nan 8.240 nan 0.000 0.485 267 G N 2.206 111.091 108.800 0.141 0.000 2.388 267 G HA2 0.650 4.610 3.960 0.000 0.000 0.330 267 G HA3 0.650 4.610 3.960 0.000 0.000 0.330 267 G C -0.938 174.081 174.900 0.198 0.000 1.142 267 G CA -0.718 44.470 45.100 0.147 0.000 0.908 267 G HN 0.714 nan 8.290 nan 0.000 0.473 268 R N 2.612 123.262 120.500 0.249 0.000 2.363 268 R HA 0.286 4.626 4.340 0.000 0.000 0.297 268 R C -2.556 173.955 176.300 0.352 0.000 1.208 268 R CA -1.384 54.896 56.100 0.300 0.000 1.121 268 R CB 1.795 32.306 30.300 0.351 0.000 1.124 268 R HN 0.341 nan 8.270 nan 0.000 0.561 269 P HA -0.081 nan 4.420 nan 0.000 0.265 269 P C -0.106 177.281 177.300 0.146 0.000 1.187 269 P CA 0.071 63.314 63.100 0.238 0.000 0.766 269 P CB 0.621 32.421 31.700 0.167 0.000 0.820 270 L N 4.802 126.118 121.223 0.156 0.000 2.499 270 L HA 0.076 4.416 4.340 0.000 0.000 0.281 270 L C -1.659 175.197 176.870 -0.023 0.000 1.234 270 L CA -1.399 53.434 54.840 -0.011 0.000 0.839 270 L CB -0.692 41.438 42.059 0.118 0.000 1.104 270 L HN 0.302 nan 8.230 nan 0.000 0.500 271 P HA 0.007 nan 4.420 nan 0.000 0.264 271 P C -0.177 177.116 177.300 -0.012 0.000 1.183 271 P CA 0.302 63.373 63.100 -0.049 0.000 0.763 271 P CB 0.489 32.155 31.700 -0.057 0.000 0.807 272 R N 1.397 121.891 120.500 -0.011 0.000 2.167 272 R HA 0.051 4.391 4.340 0.000 0.000 0.201 272 R C -0.021 176.270 176.300 -0.014 0.000 1.024 272 R CA 0.027 56.122 56.100 -0.008 0.000 1.053 272 R CB -0.217 30.070 30.300 -0.023 0.000 0.987 272 R HN 0.522 nan 8.270 nan 0.000 0.493 273 E N 0.667 120.857 120.200 -0.017 0.000 3.655 273 E HA -0.158 4.192 4.350 0.000 0.000 0.282 273 E C 0.958 177.548 176.600 -0.016 0.000 0.811 273 E CA 1.452 57.842 56.400 -0.017 0.000 0.985 273 E CB -0.305 29.386 29.700 -0.014 0.000 0.926 273 E HN 0.559 nan 8.360 nan 0.000 0.560 274 G N 2.224 111.014 108.800 -0.017 0.000 2.213 274 G HA2 -0.312 3.648 3.960 0.000 0.000 0.236 274 G HA3 -0.312 3.648 3.960 0.000 0.000 0.236 274 G C 0.024 174.914 174.900 -0.016 0.000 0.991 274 G CA 0.092 45.182 45.100 -0.016 0.000 0.629 274 G HN 0.465 nan 8.290 nan 0.000 0.517 275 Q N 0.775 120.565 119.800 -0.017 0.000 2.235 275 Q HA 0.554 4.894 4.340 0.000 0.000 0.256 275 Q C -2.411 173.577 176.000 -0.020 0.000 0.951 275 Q CA -1.933 53.862 55.803 -0.013 0.000 0.890 275 Q CB 1.393 30.128 28.738 -0.004 0.000 1.279 275 Q HN 0.151 nan 8.270 nan 0.000 0.444 276 P HA -0.106 nan 4.420 nan 0.000 0.265 276 P C 0.004 177.276 177.300 -0.046 0.000 1.187 276 P CA -0.014 63.070 63.100 -0.028 0.000 0.766 276 P CB 0.561 32.250 31.700 -0.019 0.000 0.820 277 L N 3.644 124.832 121.223 -0.059 0.000 2.017 277 L HA -0.116 4.224 4.340 0.000 0.000 0.208 277 L C 1.680 178.481 176.870 -0.116 0.000 1.073 277 L CA 1.922 56.712 54.840 -0.084 0.000 0.745 277 L CB -0.499 41.511 42.059 -0.083 0.000 0.894 277 L HN 0.391 nan 8.230 nan 0.000 0.432 278 L N -1.786 119.376 121.223 -0.101 0.000 2.590 278 L HA 0.093 4.433 4.340 0.000 0.000 0.227 278 L C 2.100 178.922 176.870 -0.080 0.000 1.099 278 L CA -0.098 54.672 54.840 -0.115 0.000 0.872 278 L CB -0.095 41.899 42.059 -0.108 0.000 1.088 278 L HN 0.200 nan 8.230 nan 0.000 0.479 279 E N 0.634 120.806 120.200 -0.046 0.000 2.012 279 E HA -0.165 4.185 4.350 0.000 0.000 0.197 279 E C 0.729 177.353 176.600 0.041 0.000 1.007 279 E CA 1.464 57.864 56.400 0.001 0.000 0.816 279 E CB 0.156 29.864 29.700 0.015 0.000 0.762 279 E HN 0.275 nan 8.360 nan 0.000 0.451 280 H N -1.167 117.845 119.070 -0.097 0.000 2.782 280 H HA 0.358 4.915 4.556 0.000 0.000 0.347 280 H C -0.167 175.008 175.328 -0.254 0.000 1.038 280 H CA -0.580 55.377 56.048 -0.152 0.000 1.255 280 H CB 0.978 30.681 29.762 -0.098 0.000 1.623 280 H HN 0.037 nan 8.280 nan 0.000 0.525 281 R N 2.616 122.496 120.500 -1.034 0.000 2.320 281 R HA 0.231 4.571 4.340 0.000 0.000 0.211 281 R C 0.373 176.160 176.300 -0.856 0.000 0.931 281 R CA 0.472 55.968 56.100 -1.006 0.000 1.071 281 R CB 0.631 30.111 30.300 -1.366 0.000 1.025 281 R HN 0.819 nan 8.270 nan 0.000 0.495 282 G N -0.240 108.060 108.800 -0.834 0.000 2.357 282 G HA2 -0.121 3.839 3.960 0.000 0.000 0.643 282 G HA3 -0.121 3.839 3.960 0.000 0.000 0.643 282 G C -1.718 173.087 174.900 -0.158 0.000 1.358 282 G CA -1.081 43.871 45.100 -0.248 0.000 0.986 282 G HN 0.085 nan 8.290 nan 0.000 0.620 283 Y N -1.065 119.422 120.300 0.311 0.000 2.376 283 Y HA 0.576 5.126 4.550 0.000 0.000 0.340 283 Y C 0.548 176.640 175.900 0.320 0.000 0.965 283 Y CA -0.739 57.577 58.100 0.360 0.000 1.078 283 Y CB 2.247 40.964 38.460 0.428 0.000 1.193 283 Y HN 0.694 nan 8.280 nan 0.000 0.452 284 C N 5.056 124.613 119.300 0.429 0.000 2.409 284 C HA 0.229 4.689 4.460 0.000 0.000 0.297 284 C C -1.304 173.894 174.990 0.345 0.000 1.083 284 C CA -1.470 57.777 59.018 0.382 0.000 1.515 284 C CB 0.318 28.232 27.740 0.290 0.000 1.869 284 C HN 0.659 nan 8.230 nan 0.000 0.413 285 P HA -0.059 nan 4.420 nan 0.000 0.226 285 P C 0.770 178.214 177.300 0.239 0.000 1.153 285 P CA 1.156 64.434 63.100 0.296 0.000 0.777 285 P CB 0.255 32.218 31.700 0.439 0.000 0.794 286 L N -1.344 120.012 121.223 0.221 0.000 2.653 286 L HA 0.258 4.598 4.340 0.000 0.000 0.232 286 L C 1.601 178.556 176.870 0.141 0.000 1.169 286 L CA 0.098 55.003 54.840 0.108 0.000 0.951 286 L CB -1.177 40.825 42.059 -0.095 0.000 1.181 286 L HN 0.069 nan 8.230 nan 0.000 0.460 287 G N 1.705 110.621 108.800 0.194 0.000 2.596 287 G HA2 -0.333 3.627 3.960 0.000 0.000 0.295 287 G HA3 -0.333 3.627 3.960 0.000 0.000 0.295 287 G C 0.088 175.103 174.900 0.192 0.000 1.240 287 G CA -0.096 45.127 45.100 0.205 0.000 0.985 287 G HN 0.446 nan 8.290 nan 0.000 0.555 288 R N 1.228 121.857 120.500 0.216 0.000 2.295 288 R HA 0.526 4.866 4.340 0.000 0.000 0.324 288 R C -0.060 176.346 176.300 0.177 0.000 0.968 288 R CA -0.397 55.816 56.100 0.189 0.000 0.837 288 R CB 1.551 31.968 30.300 0.195 0.000 1.133 288 R HN 0.641 nan 8.270 nan 0.000 0.450 289 E N 0.832 121.098 120.200 0.109 0.000 2.254 289 E HA 0.322 4.672 4.350 0.000 0.000 0.258 289 E C -0.510 176.067 176.600 -0.037 0.000 1.033 289 E CA -0.792 55.632 56.400 0.041 0.000 0.893 289 E CB 1.622 31.319 29.700 -0.005 0.000 1.204 289 E HN 0.315 nan 8.360 nan 0.000 0.425 290 T N 0.768 115.231 114.554 -0.152 0.000 2.794 290 T HA 0.641 4.991 4.350 0.000 0.000 0.280 290 T C -0.751 173.760 174.700 -0.315 0.000 0.987 290 T CA -0.628 61.324 62.100 -0.247 0.000 0.993 290 T CB 1.242 69.915 68.868 -0.326 0.000 0.939 290 T HN 0.504 nan 8.240 nan 0.000 0.449 291 A N 2.967 125.534 122.820 -0.423 0.000 2.556 291 A HA 0.881 5.201 4.320 0.000 0.000 0.294 291 A C -1.281 176.080 177.584 -0.372 0.000 1.091 291 A CA -0.806 50.993 52.037 -0.397 0.000 0.704 291 A CB 1.329 20.103 19.000 -0.377 0.000 1.300 291 A HN 0.888 nan 8.150 nan 0.000 0.406 292 I N 0.301 120.823 120.570 -0.080 0.000 2.569 292 I HA 0.545 4.715 4.170 0.000 0.000 0.296 292 I C -1.042 175.214 176.117 0.231 0.000 1.028 292 I CA -0.526 60.835 61.300 0.101 0.000 1.082 292 I CB 1.883 39.932 38.000 0.081 0.000 1.264 292 I HN 0.674 nan 8.210 nan 0.000 0.429 293 Q N 5.603 125.586 119.800 0.305 0.000 2.458 293 Q HA 0.496 4.836 4.340 0.000 0.000 0.282 293 Q C -1.151 175.022 176.000 0.288 0.000 1.106 293 Q CA -0.834 55.119 55.803 0.251 0.000 0.814 293 Q CB 2.203 31.036 28.738 0.159 0.000 1.425 293 Q HN 0.615 nan 8.270 nan 0.000 0.437 294 R N 0.790 121.387 120.500 0.162 0.000 2.368 294 R HA 0.580 4.920 4.340 0.000 0.000 0.302 294 R C -0.786 175.472 176.300 -0.070 0.000 1.002 294 R CA -0.333 55.743 56.100 -0.041 0.000 0.929 294 R CB 0.669 30.938 30.300 -0.052 0.000 1.073 294 R HN 0.503 nan 8.270 nan 0.000 0.464 295 L N 4.228 125.376 121.223 -0.125 0.000 2.317 295 L HA 0.396 4.736 4.340 0.000 0.000 0.281 295 L C -0.043 176.788 176.870 -0.065 0.000 1.024 295 L CA -0.631 54.166 54.840 -0.072 0.000 0.810 295 L CB 1.913 43.956 42.059 -0.027 0.000 1.240 295 L HN 0.785 nan 8.230 nan 0.000 0.427 296 E N 1.338 121.494 120.200 -0.074 0.000 2.281 296 E HA 0.539 4.889 4.350 0.000 0.000 0.257 296 E C -1.739 174.815 176.600 -0.077 0.000 0.971 296 E CA -0.871 55.517 56.400 -0.020 0.000 0.839 296 E CB 1.513 31.213 29.700 -0.001 0.000 1.238 296 E HN 0.285 nan 8.360 nan 0.000 0.412 297 W N 0.003 121.209 121.300 -0.156 0.000 2.819 297 W HA 0.514 5.174 4.660 0.000 0.000 0.337 297 W C -0.691 175.821 176.519 -0.012 0.000 1.077 297 W CA -0.523 56.747 57.345 -0.125 0.000 1.226 297 W CB 2.322 31.588 29.460 -0.324 0.000 1.419 297 W HN 0.354 nan 8.180 nan 0.000 0.502 298 K N 1.833 122.419 120.400 0.310 0.000 2.535 298 K HA 0.230 4.550 4.320 0.000 0.000 0.251 298 K C -0.862 175.932 176.600 0.324 0.000 0.942 298 K CA -0.734 55.685 56.287 0.220 0.000 0.798 298 K CB 2.206 34.699 32.500 -0.012 0.000 1.267 298 K HN 0.491 nan 8.250 nan 0.000 0.434 299 D N 1.199 121.735 120.400 0.228 0.000 3.067 299 D HA -0.218 4.422 4.640 0.000 0.000 0.216 299 D C 0.653 177.050 176.300 0.162 0.000 1.162 299 D CA 2.197 56.326 54.000 0.216 0.000 0.960 299 D CB -0.726 40.243 40.800 0.283 0.000 1.129 299 D HN 1.019 nan 8.370 nan 0.000 0.408 300 G N -2.228 106.704 108.800 0.220 0.000 2.141 300 G HA2 -0.267 3.694 3.960 0.000 0.000 0.231 300 G HA3 -0.267 3.694 3.960 0.000 0.000 0.231 300 G C -0.190 174.686 174.900 -0.041 0.000 0.984 300 G CA -0.065 45.148 45.100 0.188 0.000 0.660 300 G HN 0.305 nan 8.290 nan 0.000 0.525 301 W N 1.090 122.404 121.300 0.024 0.000 2.656 301 W HA 0.582 5.242 4.660 0.000 0.000 0.327 301 W C -2.044 173.969 176.519 -0.844 0.000 1.041 301 W CA -2.638 54.432 57.345 -0.458 0.000 1.229 301 W CB 2.019 31.047 29.460 -0.721 0.000 1.397 301 W HN -0.057 nan 8.180 nan 0.000 0.479 302 P HA 0.130 nan 4.420 nan 0.000 0.276 302 P C -1.386 175.575 177.300 -0.565 0.000 1.230 302 P CA 0.095 62.456 63.100 -1.231 0.000 0.776 302 P CB 0.895 31.879 31.700 -1.194 0.000 0.888 303 Y N 0.379 120.470 120.300 -0.349 0.000 2.425 303 Y HA 0.273 4.823 4.550 0.000 0.000 0.344 303 Y C 0.512 176.309 175.900 -0.171 0.000 0.969 303 Y CA -1.237 56.764 58.100 -0.167 0.000 1.052 303 Y CB 1.964 40.369 38.460 -0.093 0.000 1.215 303 Y HN 0.059 nan 8.280 nan 0.000 0.451 304 V N 3.941 123.852 119.914 -0.004 0.000 2.655 304 V HA 0.027 4.147 4.120 0.000 0.000 0.300 304 V C -0.034 176.064 176.094 0.006 0.000 1.044 304 V CA -0.589 61.697 62.300 -0.022 0.000 1.095 304 V CB 0.839 32.629 31.823 -0.055 0.000 0.952 304 V HN 0.504 nan 8.190 nan 0.000 0.485 305 V N 4.796 124.705 119.914 -0.008 0.000 2.421 305 V HA 0.457 4.577 4.120 0.000 0.000 0.271 305 V C 1.033 177.116 176.094 -0.018 0.000 1.031 305 V CA 1.019 63.313 62.300 -0.010 0.000 1.032 305 V CB 0.012 31.829 31.823 -0.011 0.000 1.009 305 V HN 1.325 nan 8.190 nan 0.000 0.477 306 G N 3.688 112.474 108.800 -0.023 0.000 2.600 306 G HA2 0.303 4.263 3.960 0.000 0.000 0.251 306 G HA3 0.303 4.263 3.960 0.000 0.000 0.251 306 G C 0.602 175.467 174.900 -0.057 0.000 1.142 306 G CA -0.028 45.049 45.100 -0.038 0.000 0.994 306 G HN 2.024 nan 8.290 nan 0.000 0.511 307 G N 0.639 109.424 108.800 -0.025 0.000 2.509 307 G HA2 0.010 3.970 3.960 0.000 0.000 0.259 307 G HA3 0.010 3.970 3.960 0.000 0.000 0.259 307 G C 0.610 175.500 174.900 -0.017 0.000 1.169 307 G CA 0.883 45.978 45.100 -0.008 0.000 0.953 307 G HN 2.207 nan 8.290 nan 0.000 0.563 308 N N 0.635 119.312 118.700 -0.038 0.000 2.194 308 N HA 0.450 5.191 4.740 0.000 0.000 0.231 308 N C 0.597 176.043 175.510 -0.106 0.000 1.247 308 N CA 1.096 54.118 53.050 -0.046 0.000 0.884 308 N CB 0.497 38.987 38.487 0.006 0.000 1.146 308 N HN 1.165 nan 8.380 nan 0.000 0.516 309 G N 1.038 109.653 108.800 -0.308 0.000 2.367 309 G HA2 0.537 4.497 3.960 0.000 0.000 0.314 309 G HA3 0.537 4.497 3.960 0.000 0.000 0.314 309 G C -2.724 172.033 174.900 -0.238 0.000 1.130 309 G CA -1.402 43.454 45.100 -0.407 0.000 0.864 309 G HN 0.010 nan 8.290 nan 0.000 0.486 310 P HA 0.146 nan 4.420 nan 0.000 0.268 310 P C -0.196 177.095 177.300 -0.016 0.000 1.204 310 P CA -0.040 63.033 63.100 -0.045 0.000 0.768 310 P CB 1.196 32.927 31.700 0.052 0.000 0.842 311 S N 2.365 118.078 115.700 0.021 0.000 2.541 311 S HA 0.165 4.635 4.470 0.000 0.000 0.283 311 S C 1.215 175.850 174.600 0.057 0.000 1.196 311 S CA -0.515 57.698 58.200 0.023 0.000 1.062 311 S CB 0.951 64.164 63.200 0.021 0.000 1.009 311 S HN 0.391 nan 8.310 nan 0.000 0.502 312 L N 2.041 123.293 121.223 0.048 0.000 2.376 312 L HA 0.250 4.590 4.340 0.000 0.000 0.219 312 L C 0.541 177.444 176.870 0.056 0.000 1.133 312 L CA 1.583 56.458 54.840 0.058 0.000 0.816 312 L CB -0.271 41.820 42.059 0.054 0.000 0.933 312 L HN 0.753 nan 8.230 nan 0.000 0.449 313 E N -0.710 119.521 120.200 0.052 0.000 2.335 313 E HA 0.495 4.845 4.350 0.000 0.000 0.280 313 E C -1.318 175.317 176.600 0.059 0.000 0.918 313 E CA -0.545 55.886 56.400 0.051 0.000 0.765 313 E CB 1.642 31.366 29.700 0.040 0.000 1.218 313 E HN 0.176 nan 8.360 nan 0.000 0.425 314 I N -0.621 119.992 120.570 0.072 0.000 2.934 314 I HA 0.591 4.761 4.170 0.000 0.000 0.306 314 I C -0.871 175.303 176.117 0.096 0.000 1.110 314 I CA -0.993 60.365 61.300 0.097 0.000 1.019 314 I CB 2.083 40.174 38.000 0.152 0.000 1.227 314 I HN 0.201 nan 8.210 nan 0.000 0.434 315 D N 3.962 124.429 120.400 0.112 0.000 2.339 315 D HA 0.276 4.916 4.640 0.000 0.000 0.256 315 D C 0.456 176.853 176.300 0.161 0.000 1.214 315 D CA 0.363 54.425 54.000 0.104 0.000 0.877 315 D CB 1.553 42.405 40.800 0.087 0.000 1.111 315 D HN 0.873 nan 8.370 nan 0.000 0.478 316 G N 3.176 112.018 108.800 0.069 0.000 2.664 316 G HA2 0.225 4.186 3.960 0.000 0.000 0.242 316 G HA3 0.225 4.186 3.960 0.000 0.000 0.242 316 G C -2.133 172.801 174.900 0.056 0.000 1.225 316 G CA -0.763 44.327 45.100 -0.017 0.000 0.849 316 G HN 0.280 nan 8.290 nan 0.000 0.581 317 P HA 0.104 nan 4.420 nan 0.000 0.270 317 P C 0.302 177.597 177.300 -0.009 0.000 1.223 317 P CA -0.220 62.925 63.100 0.075 0.000 0.785 317 P CB 0.789 32.438 31.700 -0.085 0.000 0.923 318 S N 0.381 116.081 115.700 0.000 0.000 3.829 318 S HA 0.366 4.836 4.470 0.000 0.000 0.250 318 S C 0.391 174.965 174.600 -0.043 0.000 1.263 318 S CA -0.489 57.699 58.200 -0.020 0.000 0.955 318 S CB -1.606 61.588 63.200 -0.011 0.000 1.611 318 S HN 0.406 nan 8.310 nan 0.000 0.483 319 V N -1.220 118.667 119.914 -0.045 0.000 3.188 319 V HA 0.669 4.789 4.120 0.000 0.000 0.305 319 V C -0.616 175.452 176.094 -0.043 0.000 1.232 319 V CA -1.425 60.860 62.300 -0.025 0.000 1.043 319 V CB 1.433 33.255 31.823 -0.001 0.000 1.068 319 V HN 0.427 nan 8.190 nan 0.000 0.439 320 E N 1.331 121.510 120.200 -0.035 0.000 2.324 320 E HA 0.197 4.547 4.350 0.000 0.000 0.271 320 E C 0.063 176.596 176.600 -0.112 0.000 1.028 320 E CA 0.259 56.620 56.400 -0.065 0.000 0.890 320 E CB 0.749 30.415 29.700 -0.056 0.000 1.004 320 E HN 0.858 nan 8.360 nan 0.000 0.431 321 E N 2.963 123.083 120.200 -0.132 0.000 2.366 321 E HA 0.108 4.459 4.350 0.000 0.000 0.266 321 E C -1.114 175.329 176.600 -0.261 0.000 1.015 321 E CA -0.304 55.984 56.400 -0.188 0.000 0.906 321 E CB 0.547 30.152 29.700 -0.159 0.000 0.979 321 E HN 0.234 nan 8.360 nan 0.000 0.443 322 V N 4.845 124.524 119.914 -0.392 0.000 2.326 322 V HA 0.160 4.281 4.120 0.000 0.000 0.281 322 V C 0.055 175.579 176.094 -0.950 0.000 1.015 322 V CA -0.743 61.181 62.300 -0.627 0.000 0.823 322 V CB 1.209 32.607 31.823 -0.709 0.000 1.009 322 V HN 0.668 nan 8.190 nan 0.000 0.436 323 S N 3.505 118.793 115.700 -0.687 0.000 2.589 323 S HA 0.474 4.944 4.470 0.000 0.000 0.265 323 S C -0.629 173.498 174.600 -0.787 0.000 1.342 323 S CA -0.099 57.752 58.200 -0.583 0.000 1.005 323 S CB 0.572 63.613 63.200 -0.264 0.000 0.909 323 S HN 0.665 nan 8.310 nan 0.000 0.555 324 W N 0.262 121.564 121.300 0.004 0.000 2.936 324 W HA 0.426 5.086 4.660 0.000 0.000 0.338 324 W C -0.068 176.477 176.519 0.043 0.000 1.121 324 W CA -0.815 56.550 57.345 0.034 0.000 1.209 324 W CB 0.697 30.197 29.460 0.067 0.000 1.420 324 W HN 0.571 nan 8.180 nan 0.000 0.516 325 E N 2.731 123.111 120.200 0.300 0.000 2.392 325 E HA 0.014 4.364 4.350 0.000 0.000 0.264 325 E C -0.023 176.684 176.600 0.179 0.000 1.024 325 E CA -0.367 56.137 56.400 0.174 0.000 0.903 325 E CB 0.758 30.539 29.700 0.134 0.000 0.963 325 E HN 0.376 nan 8.360 nan 0.000 0.432 326 K N 3.153 123.618 120.400 0.109 0.000 2.453 326 K HA -0.088 4.232 4.320 0.000 0.000 0.280 326 K C -0.134 176.533 176.600 0.112 0.000 1.045 326 K CA 0.320 56.659 56.287 0.086 0.000 1.059 326 K CB 0.271 32.739 32.500 -0.055 0.000 0.901 326 K HN 0.443 nan 8.250 nan 0.000 0.475 327 D N 3.170 123.725 120.400 0.258 0.000 2.325 327 D HA 0.006 4.646 4.640 0.000 0.000 0.225 327 D C -0.454 176.060 176.300 0.357 0.000 1.096 327 D CA 0.076 54.244 54.000 0.280 0.000 0.844 327 D CB -0.323 40.701 40.800 0.373 0.000 0.925 327 D HN 0.471 nan 8.370 nan 0.000 0.513 328 Y N -2.331 118.071 120.300 0.169 0.000 2.544 328 Y HA 0.523 5.074 4.550 0.000 0.000 0.342 328 Y C -1.471 174.489 175.900 0.100 0.000 1.062 328 Y CA -1.719 56.468 58.100 0.146 0.000 1.023 328 Y CB 0.982 39.563 38.460 0.201 0.000 1.308 328 Y HN -0.374 nan 8.280 nan 0.000 0.457 329 D N 3.277 123.741 120.400 0.105 0.000 2.339 329 D HA 0.039 4.679 4.640 0.000 0.000 0.256 329 D C 0.941 177.265 176.300 0.040 0.000 1.214 329 D CA 0.236 54.237 54.000 0.001 0.000 0.877 329 D CB 1.613 42.438 40.800 0.041 0.000 1.111 329 D HN 0.938 nan 8.370 nan 0.000 0.478 330 E N 2.898 123.024 120.200 -0.123 0.000 2.114 330 E HA -0.240 4.110 4.350 0.000 0.000 0.199 330 E C 0.308 176.932 176.600 0.041 0.000 1.008 330 E CA 1.126 57.508 56.400 -0.030 0.000 0.810 330 E CB 0.279 29.909 29.700 -0.117 0.000 0.739 330 E HN 0.201 nan 8.360 nan 0.000 0.456 331 K N 1.454 121.841 120.400 -0.021 0.000 2.419 331 K HA 0.048 4.368 4.320 0.000 0.000 0.244 331 K C -1.269 175.318 176.600 -0.023 0.000 1.045 331 K CA -0.387 55.870 56.287 -0.050 0.000 1.004 331 K CB 0.715 33.109 32.500 -0.178 0.000 1.376 331 K HN -0.031 nan 8.250 nan 0.000 0.460 332 D N 3.569 123.994 120.400 0.041 0.000 2.374 332 D HA 0.005 4.645 4.640 0.000 0.000 0.240 332 D C -0.074 176.067 176.300 -0.265 0.000 1.229 332 D CA 0.115 54.080 54.000 -0.058 0.000 0.895 332 D CB 0.837 41.654 40.800 0.028 0.000 1.046 332 D HN 0.546 nan 8.370 nan 0.000 0.498 333 D N 3.054 123.388 120.400 -0.110 0.000 2.349 333 D HA -0.087 4.553 4.640 0.000 0.000 0.224 333 D C 0.368 176.730 176.300 0.103 0.000 1.029 333 D CA 0.047 54.046 54.000 -0.001 0.000 0.879 333 D CB 0.224 41.041 40.800 0.029 0.000 0.906 333 D HN 0.465 nan 8.370 nan 0.000 0.528 334 F N 0.459 120.510 119.950 0.169 0.000 3.018 334 F HA -0.207 4.320 4.527 0.000 0.000 0.287 334 F C 1.046 176.905 175.800 0.098 0.000 0.813 334 F CA -0.060 58.021 58.000 0.134 0.000 1.209 334 F CB -2.085 36.987 39.000 0.120 0.000 1.321 334 F HN 0.014 nan 8.300 nan 0.000 0.477 335 D N -0.069 120.456 120.400 0.208 0.000 2.269 335 D HA 0.026 4.666 4.640 0.000 0.000 0.208 335 D C 1.839 178.219 176.300 0.133 0.000 0.963 335 D CA 1.232 55.319 54.000 0.146 0.000 0.864 335 D CB -0.067 40.790 40.800 0.096 0.000 0.936 335 D HN 0.470 nan 8.370 nan 0.000 0.505 336 G N 1.531 110.420 108.800 0.149 0.000 2.569 336 G HA2 0.052 4.012 3.960 0.000 0.000 0.249 336 G HA3 0.052 4.012 3.960 0.000 0.000 0.249 336 G C 0.861 175.831 174.900 0.117 0.000 1.216 336 G CA -0.240 44.932 45.100 0.120 0.000 0.845 336 G HN 0.008 nan 8.290 nan 0.000 0.568 337 D N -1.183 119.267 120.400 0.083 0.000 2.224 337 D HA -0.061 4.579 4.640 0.000 0.000 0.205 337 D C 1.155 177.495 176.300 0.067 0.000 0.965 337 D CA 1.242 55.283 54.000 0.068 0.000 0.852 337 D CB -0.314 40.514 40.800 0.048 0.000 0.947 337 D HN 0.421 nan 8.370 nan 0.000 0.494 338 T N -1.908 112.692 114.554 0.077 0.000 2.916 338 T HA 0.585 4.935 4.350 0.000 0.000 0.292 338 T C 0.189 174.964 174.700 0.125 0.000 1.055 338 T CA -1.029 61.118 62.100 0.077 0.000 1.009 338 T CB 1.954 70.854 68.868 0.054 0.000 1.118 338 T HN -0.029 nan 8.240 nan 0.000 0.497 339 L N 2.456 123.757 121.223 0.131 0.000 2.456 339 L HA 0.234 4.574 4.340 0.000 0.000 0.272 339 L C 1.452 178.487 176.870 0.275 0.000 1.189 339 L CA -0.556 54.419 54.840 0.224 0.000 0.846 339 L CB 0.273 42.421 42.059 0.149 0.000 1.111 339 L HN 0.781 nan 8.230 nan 0.000 0.475 340 N N 1.701 120.656 118.700 0.426 0.000 2.356 340 N HA -0.112 4.628 4.740 0.000 0.000 0.252 340 N C 1.044 176.698 175.510 0.240 0.000 1.241 340 N CA -0.160 53.072 53.050 0.304 0.000 0.861 340 N CB 0.473 39.144 38.487 0.306 0.000 1.075 340 N HN 0.758 nan 8.380 nan 0.000 0.461 341 H N 1.722 120.729 119.070 -0.106 0.000 2.567 341 H HA -0.015 4.541 4.556 0.000 0.000 0.276 341 H C 0.474 175.620 175.328 -0.305 0.000 1.016 341 H CA 0.377 56.304 56.048 -0.202 0.000 1.186 341 H CB 0.051 29.657 29.762 -0.260 0.000 1.351 341 H HN 0.588 nan 8.280 nan 0.000 0.605 342 H N 0.147 119.111 119.070 -0.177 0.000 2.547 342 H HA 0.073 4.629 4.556 0.000 0.000 0.272 342 H C -0.183 174.901 175.328 -0.406 0.000 0.971 342 H CA -0.207 55.582 56.048 -0.431 0.000 1.245 342 H CB 0.028 29.424 29.762 -0.610 0.000 1.440 342 H HN 0.264 nan 8.280 nan 0.000 0.540 343 F N 2.275 122.197 119.950 -0.047 0.000 2.467 343 F HA 0.206 4.733 4.527 0.000 0.000 0.362 343 F C 0.894 176.656 175.800 -0.064 0.000 1.090 343 F CA 0.114 58.051 58.000 -0.105 0.000 1.202 343 F CB 0.691 39.636 39.000 -0.092 0.000 1.113 343 F HN -0.065 nan 8.300 nan 0.000 0.541 344 Q N 0.897 120.784 119.800 0.145 0.000 2.445 344 Q HA 0.610 4.951 4.340 0.000 0.000 0.281 344 Q C -0.522 175.631 176.000 0.255 0.000 1.101 344 Q CA -1.061 54.855 55.803 0.187 0.000 0.833 344 Q CB 2.607 31.475 28.738 0.215 0.000 1.416 344 Q HN 0.686 nan 8.270 nan 0.000 0.451 345 T N -2.176 112.575 114.554 0.329 0.000 2.924 345 T HA 0.599 4.949 4.350 0.000 0.000 0.291 345 T C -0.291 174.501 174.700 0.154 0.000 1.045 345 T CA -0.844 61.386 62.100 0.216 0.000 1.015 345 T CB 0.632 69.595 68.868 0.158 0.000 1.103 345 T HN 0.370 nan 8.240 nan 0.000 0.496 346 L N 3.043 124.195 121.223 -0.119 0.000 2.325 346 L HA 0.415 4.755 4.340 0.000 0.000 0.284 346 L C 1.415 178.166 176.870 -0.198 0.000 1.089 346 L CA -0.350 54.260 54.840 -0.384 0.000 0.836 346 L CB 0.010 41.804 42.059 -0.442 0.000 1.184 346 L HN 0.884 nan 8.230 nan 0.000 0.444 347 R N 1.222 121.636 120.500 -0.144 0.000 1.680 347 R HA -0.262 4.078 4.340 0.000 0.000 0.092 347 R C 0.277 176.407 176.300 -0.283 0.000 0.930 347 R CA 2.162 58.181 56.100 -0.135 0.000 1.943 347 R CB -1.250 28.936 30.300 -0.190 0.000 0.490 347 R HN 0.715 nan 8.270 nan 0.000 0.707 348 I N -0.299 120.088 120.570 -0.305 0.000 2.750 348 I HA 0.623 4.793 4.170 0.000 0.000 0.308 348 I C -2.488 173.389 176.117 -0.399 0.000 1.016 348 I CA -2.742 58.260 61.300 -0.497 0.000 1.098 348 I CB 1.922 39.759 38.000 -0.272 0.000 1.279 348 I HN -0.180 nan 8.210 nan 0.000 0.454 349 P HA 0.267 nan 4.420 nan 0.000 0.275 349 P C -1.082 176.207 177.300 -0.018 0.000 1.228 349 P CA -0.104 62.993 63.100 -0.005 0.000 0.786 349 P CB 1.084 32.832 31.700 0.079 0.000 0.927 350 L N 2.194 123.438 121.223 0.035 0.000 2.282 350 L HA 0.538 4.878 4.340 0.000 0.000 0.288 350 L C 1.324 178.205 176.870 0.018 0.000 1.033 350 L CA -0.439 54.408 54.840 0.012 0.000 0.807 350 L CB 1.336 43.401 42.059 0.010 0.000 1.209 350 L HN 0.456 nan 8.230 nan 0.000 0.423 351 G N 1.066 109.869 108.800 0.005 0.000 2.537 351 G HA2 0.199 4.159 3.960 0.000 0.000 0.297 351 G HA3 0.199 4.159 3.960 0.000 0.000 0.297 351 G C 0.526 175.431 174.900 0.010 0.000 1.310 351 G CA -0.325 44.778 45.100 0.004 0.000 1.027 351 G HN 0.639 nan 8.290 nan 0.000 0.505 352 E N 0.460 120.661 120.200 0.002 0.000 2.338 352 E HA -0.125 4.225 4.350 0.000 0.000 0.197 352 E C 1.930 178.524 176.600 -0.010 0.000 1.007 352 E CA 1.110 57.518 56.400 0.013 0.000 0.849 352 E CB -0.013 29.687 29.700 0.000 0.000 0.774 352 E HN 0.693 nan 8.360 nan 0.000 0.506 353 D N 0.046 120.402 120.400 -0.073 0.000 2.269 353 D HA -0.108 4.533 4.640 0.000 0.000 0.208 353 D C 1.848 178.053 176.300 -0.159 0.000 0.963 353 D CA 0.621 54.500 54.000 -0.202 0.000 0.864 353 D CB -0.042 40.661 40.800 -0.161 0.000 0.936 353 D HN 0.288 nan 8.370 nan 0.000 0.505 354 I N 0.079 120.680 120.570 0.052 0.000 3.366 354 I HA 0.193 4.363 4.170 0.000 0.000 0.267 354 I C 0.900 177.164 176.117 0.244 0.000 1.149 354 I CA 0.070 61.474 61.300 0.173 0.000 1.436 354 I CB 0.334 38.372 38.000 0.063 0.000 1.379 354 I HN -0.071 nan 8.210 nan 0.000 0.460 355 A N 0.582 123.477 122.820 0.124 0.000 2.319 355 A HA 0.720 5.040 4.320 0.000 0.000 0.310 355 A C -0.450 177.164 177.584 0.050 0.000 1.152 355 A CA -0.218 51.849 52.037 0.051 0.000 0.783 355 A CB 1.134 20.118 19.000 -0.025 0.000 1.184 355 A HN 0.095 nan 8.150 nan 0.000 0.474 356 T N 1.989 116.561 114.554 0.030 0.000 2.956 356 T HA 0.512 4.862 4.350 0.000 0.000 0.312 356 T C -0.089 174.593 174.700 -0.031 0.000 1.151 356 T CA -0.398 61.718 62.100 0.025 0.000 1.024 356 T CB 0.727 69.657 68.868 0.103 0.000 1.140 356 T HN 0.442 nan 8.240 nan 0.000 0.473 357 L N 3.296 124.510 121.223 -0.016 0.000 2.693 357 L HA 0.404 4.744 4.340 0.000 0.000 0.235 357 L C 1.995 178.886 176.870 0.036 0.000 1.127 357 L CA 0.038 54.877 54.840 -0.002 0.000 0.914 357 L CB 0.108 42.179 42.059 0.019 0.000 1.193 357 L HN 0.547 nan 8.230 nan 0.000 0.502 358 K N 0.034 120.451 120.400 0.030 0.000 2.335 358 K HA 0.213 4.533 4.320 0.000 0.000 0.195 358 K C 2.157 178.771 176.600 0.024 0.000 1.058 358 K CA 0.708 57.014 56.287 0.033 0.000 0.988 358 K CB 0.229 32.745 32.500 0.027 0.000 0.880 358 K HN 0.161 nan 8.250 nan 0.000 0.513 359 A N 1.642 124.470 122.820 0.013 0.000 1.972 359 A HA -0.089 4.231 4.320 0.000 0.000 0.219 359 A C 1.136 178.697 177.584 -0.038 0.000 1.169 359 A CA 1.058 53.085 52.037 -0.016 0.000 0.635 359 A CB -0.092 18.894 19.000 -0.024 0.000 0.810 359 A HN 0.169 nan 8.150 nan 0.000 0.446 360 R N -0.069 120.425 120.500 -0.010 0.000 2.569 360 R HA 0.291 4.631 4.340 0.000 0.000 0.293 360 R C -3.182 173.207 176.300 0.148 0.000 1.186 360 R CA -1.943 54.177 56.100 0.033 0.000 0.956 360 R CB 1.696 31.961 30.300 -0.059 0.000 1.196 360 R HN 0.037 nan 8.270 nan 0.000 0.444 361 P HA 0.050 nan 4.420 nan 0.000 0.266 361 P C 0.336 177.789 177.300 0.255 0.000 1.195 361 P CA 1.151 64.351 63.100 0.167 0.000 0.768 361 P CB 0.940 32.713 31.700 0.123 0.000 0.838 362 G N 1.218 110.131 108.800 0.188 0.000 2.143 362 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 362 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 362 G C -0.307 174.500 174.900 -0.154 0.000 0.991 362 G CA 0.154 45.301 45.100 0.079 0.000 0.689 362 G HN 0.809 nan 8.290 nan 0.000 0.522 363 H N -2.147 117.043 119.070 0.199 0.000 3.085 363 H HA 0.525 5.081 4.556 0.000 0.000 0.356 363 H C -0.758 174.549 175.328 -0.034 0.000 1.178 363 H CA -0.785 55.357 56.048 0.157 0.000 1.214 363 H CB 1.477 31.311 29.762 0.120 0.000 1.881 363 H HN 0.334 nan 8.280 nan 0.000 0.538 364 L N 2.962 124.099 121.223 -0.144 0.000 2.257 364 L HA 0.437 4.777 4.340 0.000 0.000 0.290 364 L C -0.372 176.467 176.870 -0.052 0.000 1.044 364 L CA -0.108 54.514 54.840 -0.363 0.000 0.810 364 L CB 0.278 41.707 42.059 -1.051 0.000 1.193 364 L HN 0.513 nan 8.230 nan 0.000 0.425 365 R N 5.027 125.472 120.500 -0.093 0.000 2.308 365 R HA 0.465 4.805 4.340 0.000 0.000 0.305 365 R C -1.266 174.948 176.300 -0.142 0.000 1.053 365 R CA -0.830 55.172 56.100 -0.164 0.000 0.957 365 R CB 1.076 31.152 30.300 -0.374 0.000 1.022 365 R HN 0.434 nan 8.270 nan 0.000 0.461 366 L N 4.663 125.841 121.223 -0.075 0.000 2.345 366 L HA 0.297 4.637 4.340 0.000 0.000 0.274 366 L C -1.008 175.838 176.870 -0.040 0.000 0.999 366 L CA -0.613 54.229 54.840 0.003 0.000 0.849 366 L CB 0.791 42.955 42.059 0.174 0.000 1.220 366 L HN 0.453 nan 8.230 nan 0.000 0.422 367 Y N 1.915 122.272 120.300 0.095 0.000 2.436 367 Y HA 0.394 4.944 4.550 0.000 0.000 0.336 367 Y C 1.432 177.369 175.900 0.062 0.000 1.049 367 Y CA -0.145 58.023 58.100 0.113 0.000 1.294 367 Y CB 0.664 39.166 38.460 0.070 0.000 1.179 367 Y HN 0.694 nan 8.280 nan 0.000 0.520 368 G N 4.856 113.777 108.800 0.201 0.000 2.272 368 G HA2 0.203 4.163 3.960 0.000 0.000 0.247 368 G HA3 0.203 4.163 3.960 0.000 0.000 0.247 368 G C 0.391 175.338 174.900 0.079 0.000 1.272 368 G CA -0.485 44.680 45.100 0.109 0.000 0.921 368 G HN 0.502 nan 8.290 nan 0.000 0.495 369 R N 1.719 122.230 120.500 0.019 0.000 2.769 369 R HA 0.348 4.688 4.340 0.000 0.000 0.117 369 R C 0.645 176.962 176.300 0.029 0.000 1.152 369 R CA -0.595 55.517 56.100 0.020 0.000 0.887 369 R CB -0.403 29.900 30.300 0.005 0.000 1.099 369 R HN 0.667 nan 8.270 nan 0.000 0.398 370 E N 0.875 121.095 120.200 0.034 0.000 2.405 370 E HA 0.142 4.492 4.350 0.000 0.000 0.253 370 E C 0.071 176.730 176.600 0.098 0.000 1.257 370 E CA -0.273 56.164 56.400 0.063 0.000 0.960 370 E CB 0.497 30.239 29.700 0.072 0.000 1.077 370 E HN 0.465 nan 8.360 nan 0.000 0.512 371 S N -0.241 115.516 115.700 0.095 0.000 2.617 371 S HA 0.064 4.534 4.470 0.000 0.000 0.259 371 S C 0.966 175.566 174.600 -0.000 0.000 1.301 371 S CA -0.432 57.811 58.200 0.072 0.000 0.984 371 S CB 0.308 63.561 63.200 0.087 0.000 0.954 371 S HN 0.498 nan 8.310 nan 0.000 0.572 372 L N 0.776 121.860 121.223 -0.231 0.000 2.551 372 L HA 0.024 4.364 4.340 0.000 0.000 0.228 372 L C 2.315 179.158 176.870 -0.045 0.000 1.153 372 L CA 1.126 55.679 54.840 -0.477 0.000 0.851 372 L CB -0.680 40.514 42.059 -1.441 0.000 0.959 372 L HN 1.018 nan 8.230 nan 0.000 0.451 373 T N -5.447 109.191 114.554 0.141 0.000 3.086 373 T HA 0.053 4.403 4.350 0.000 0.000 0.250 373 T C 0.840 175.631 174.700 0.151 0.000 1.074 373 T CA -0.145 62.090 62.100 0.225 0.000 0.988 373 T CB 0.134 69.148 68.868 0.242 0.000 0.988 373 T HN 0.095 nan 8.240 nan 0.000 0.530 374 S N 1.004 116.779 115.700 0.124 0.000 2.513 374 S HA 0.340 4.810 4.470 0.000 0.000 0.276 374 S C 0.763 175.407 174.600 0.072 0.000 1.254 374 S CA -0.860 57.440 58.200 0.166 0.000 1.053 374 S CB 0.568 63.882 63.200 0.190 0.000 0.958 374 S HN 0.438 nan 8.310 nan 0.000 0.491 375 R N 3.250 123.736 120.500 -0.023 0.000 2.423 375 R HA 0.209 4.549 4.340 0.000 0.000 0.248 375 R C -0.241 175.677 176.300 -0.638 0.000 1.019 375 R CA 0.304 56.189 56.100 -0.358 0.000 1.119 375 R CB 0.003 30.008 30.300 -0.492 0.000 1.176 375 R HN 0.630 nan 8.270 nan 0.000 0.526 376 F N -1.426 118.501 119.950 -0.038 0.000 2.223 376 F HA 0.223 4.750 4.527 0.000 0.000 0.229 376 F C 0.809 176.574 175.800 -0.058 0.000 1.066 376 F CA -0.196 57.776 58.000 -0.046 0.000 1.199 376 F CB 0.256 39.236 39.000 -0.032 0.000 1.539 376 F HN -0.359 nan 8.300 nan 0.000 0.554 377 T N 2.417 117.074 114.554 0.172 0.000 2.977 377 T HA 0.351 4.701 4.350 0.000 0.000 0.346 377 T C -0.803 173.918 174.700 0.036 0.000 1.140 377 T CA -0.526 61.611 62.100 0.062 0.000 1.040 377 T CB 0.652 69.546 68.868 0.044 0.000 1.046 377 T HN 0.076 nan 8.240 nan 0.000 0.494 378 Q N 1.695 121.499 119.800 0.008 0.000 2.307 378 Q HA 0.587 4.927 4.340 0.000 0.000 0.262 378 Q C -0.269 175.707 176.000 -0.041 0.000 0.961 378 Q CA -0.858 54.939 55.803 -0.010 0.000 0.882 378 Q CB 2.155 30.900 28.738 0.011 0.000 1.264 378 Q HN 0.724 nan 8.270 nan 0.000 0.446 379 A N 3.665 126.399 122.820 -0.144 0.000 2.981 379 A HA 0.260 4.580 4.320 0.000 0.000 0.280 379 A C -1.004 176.481 177.584 -0.164 0.000 1.743 379 A CA 0.211 52.167 52.037 -0.135 0.000 1.430 379 A CB -0.700 18.228 19.000 -0.121 0.000 1.085 379 A HN 0.523 nan 8.150 nan 0.000 0.597 380 F N 2.327 122.138 119.950 -0.231 0.000 2.671 380 F HA 0.502 5.029 4.527 0.000 0.000 0.332 380 F C -1.107 174.635 175.800 -0.098 0.000 1.189 380 F CA -1.114 56.787 58.000 -0.166 0.000 0.988 380 F CB 1.776 40.720 39.000 -0.092 0.000 1.258 380 F HN 0.075 nan 8.300 nan 0.000 0.471 381 V N 5.425 125.034 119.914 -0.508 0.000 2.448 381 V HA 0.935 5.055 4.120 0.000 0.000 0.295 381 V C -0.342 175.338 176.094 -0.690 0.000 1.025 381 V CA -0.407 61.581 62.300 -0.519 0.000 0.859 381 V CB 1.087 32.612 31.823 -0.495 0.000 0.988 381 V HN 1.006 nan 8.190 nan 0.000 0.431 382 A N 5.261 127.819 122.820 -0.437 0.000 2.549 382 A HA 0.993 5.313 4.320 0.000 0.000 0.297 382 A C -0.756 176.811 177.584 -0.027 0.000 1.061 382 A CA -0.949 50.897 52.037 -0.318 0.000 0.690 382 A CB 2.094 20.770 19.000 -0.539 0.000 1.287 382 A HN 0.999 nan 8.150 nan 0.000 0.402 383 R N 0.529 120.968 120.500 -0.102 0.000 2.892 383 R HA 0.780 5.120 4.340 0.000 0.000 0.265 383 R C -0.662 175.230 176.300 -0.679 0.000 1.025 383 R CA -0.884 54.981 56.100 -0.392 0.000 0.982 383 R CB 0.874 30.775 30.300 -0.665 0.000 1.185 383 R HN 0.623 nan 8.270 nan 0.000 0.484 384 R N 0.601 120.422 120.500 -1.133 0.000 2.590 384 R HA 0.049 4.389 4.340 0.000 0.000 0.274 384 R C -0.584 175.348 176.300 -0.612 0.000 1.061 384 R CA -0.132 55.199 56.100 -1.282 0.000 1.081 384 R CB 0.311 30.008 30.300 -1.006 0.000 0.984 384 R HN 0.474 nan 8.270 nan 0.000 0.448 385 W N 2.190 123.141 121.300 -0.582 0.000 2.322 385 W HA 0.017 4.677 4.660 0.000 0.000 0.328 385 W C 1.095 177.379 176.519 -0.392 0.000 1.395 385 W CA 0.218 57.350 57.345 -0.355 0.000 1.267 385 W CB 0.281 29.732 29.460 -0.016 0.000 1.259 385 W HN 0.648 nan 8.180 nan 0.000 0.560 386 Q N 0.941 120.598 119.800 -0.237 0.000 2.211 386 Q HA 0.087 4.427 4.340 0.000 0.000 0.242 386 Q C -0.596 175.023 176.000 -0.634 0.000 0.825 386 Q CA 0.309 55.877 55.803 -0.393 0.000 0.951 386 Q CB 0.545 29.016 28.738 -0.446 0.000 1.130 386 Q HN 0.545 nan 8.270 nan 0.000 0.496 387 H N -2.691 116.332 119.070 -0.078 0.000 2.928 387 H HA 0.228 4.784 4.556 0.000 0.000 0.371 387 H C -0.623 174.732 175.328 0.046 0.000 1.186 387 H CA -0.708 55.326 56.048 -0.024 0.000 1.134 387 H CB 0.979 30.794 29.762 0.089 0.000 1.824 387 H HN -0.097 nan 8.280 nan 0.000 0.554 388 F N -0.307 119.767 119.950 0.207 0.000 2.367 388 F HA 0.034 4.561 4.527 0.000 0.000 0.298 388 F C 0.361 175.908 175.800 -0.423 0.000 1.094 388 F CA 0.583 58.518 58.000 -0.108 0.000 1.409 388 F CB 0.002 38.842 39.000 -0.267 0.000 1.064 388 F HN 0.456 nan 8.300 nan 0.000 0.528 389 H N -0.682 118.535 119.070 0.245 0.000 2.646 389 H HA 0.488 5.044 4.556 0.000 0.000 0.328 389 H C -0.694 174.648 175.328 0.023 0.000 0.998 389 H CA -1.100 54.962 56.048 0.024 0.000 1.225 389 H CB 0.772 30.552 29.762 0.031 0.000 1.457 389 H HN -0.029 nan 8.280 nan 0.000 0.505 390 F N 0.186 120.048 119.950 -0.146 0.000 2.741 390 F HA 0.573 5.100 4.527 0.000 0.000 0.311 390 F C -2.179 173.438 175.800 -0.305 0.000 1.149 390 F CA -1.290 56.529 58.000 -0.302 0.000 0.930 390 F CB 0.897 39.622 39.000 -0.459 0.000 1.312 390 F HN 0.386 nan 8.300 nan 0.000 0.450 391 V N 2.028 121.894 119.914 -0.081 0.000 2.483 391 V HA 0.915 5.035 4.120 0.000 0.000 0.297 391 V C -0.885 175.197 176.094 -0.021 0.000 1.027 391 V CA -0.101 62.124 62.300 -0.125 0.000 0.855 391 V CB 0.897 32.608 31.823 -0.186 0.000 0.995 391 V HN 1.481 nan 8.190 nan 0.000 0.424 392 A N 5.184 128.042 122.820 0.063 0.000 2.337 392 A HA 0.956 5.276 4.320 0.000 0.000 0.331 392 A C -0.544 177.051 177.584 0.019 0.000 1.137 392 A CA -0.600 51.473 52.037 0.060 0.000 0.807 392 A CB 1.686 20.867 19.000 0.302 0.000 1.250 392 A HN 0.930 nan 8.150 nan 0.000 0.468 393 E N -0.584 119.577 120.200 -0.065 0.000 2.375 393 E HA 0.587 4.937 4.350 0.000 0.000 0.280 393 E C -1.383 175.308 176.600 0.153 0.000 0.972 393 E CA -0.333 56.138 56.400 0.118 0.000 0.782 393 E CB 2.297 32.103 29.700 0.177 0.000 1.229 393 E HN 0.744 nan 8.360 nan 0.000 0.439 394 T N 1.526 116.217 114.554 0.229 0.000 2.853 394 T HA 0.453 4.804 4.350 0.000 0.000 0.311 394 T C -1.931 172.731 174.700 -0.062 0.000 1.307 394 T CA -0.719 61.431 62.100 0.082 0.000 1.019 394 T CB 1.403 70.514 68.868 0.405 0.000 1.264 394 T HN 0.338 nan 8.240 nan 0.000 0.497 395 K N 2.713 122.901 120.400 -0.353 0.000 2.413 395 K HA 0.733 5.053 4.320 0.000 0.000 0.257 395 K C -1.752 174.854 176.600 0.010 0.000 0.946 395 K CA -0.711 55.370 56.287 -0.345 0.000 0.823 395 K CB 1.763 33.833 32.500 -0.717 0.000 1.109 395 K HN 0.416 nan 8.250 nan 0.000 0.427 396 V N 2.774 122.736 119.914 0.080 0.000 2.638 396 V HA 0.450 4.571 4.120 0.000 0.000 0.306 396 V C -1.374 174.729 176.094 0.016 0.000 1.052 396 V CA -0.400 61.902 62.300 0.004 0.000 0.885 396 V CB 1.986 33.692 31.823 -0.195 0.000 0.999 396 V HN 0.836 nan 8.190 nan 0.000 0.424 397 S N 6.737 122.382 115.700 -0.092 0.000 2.422 397 S HA 0.756 5.226 4.470 0.000 0.000 0.308 397 S C -1.232 173.314 174.600 -0.091 0.000 1.097 397 S CA -0.358 57.692 58.200 -0.250 0.000 1.099 397 S CB 0.280 63.186 63.200 -0.491 0.000 0.976 397 S HN 0.815 nan 8.310 nan 0.000 0.471 398 F N 5.330 125.133 119.950 -0.245 0.000 2.630 398 F HA 0.503 5.030 4.527 0.000 0.000 0.325 398 F C -0.842 174.856 175.800 -0.170 0.000 1.184 398 F CA -0.591 57.275 58.000 -0.224 0.000 1.011 398 F CB 1.231 40.128 39.000 -0.172 0.000 1.268 398 F HN 0.458 nan 8.300 nan 0.000 0.480 399 R N 6.531 126.577 120.500 -0.756 0.000 2.363 399 R HA 0.360 4.700 4.340 0.000 0.000 0.297 399 R C -2.904 172.924 176.300 -0.786 0.000 1.208 399 R CA -1.714 54.041 56.100 -0.575 0.000 1.121 399 R CB 1.176 31.248 30.300 -0.379 0.000 1.124 399 R HN 0.323 nan 8.270 nan 0.000 0.561 400 P HA 0.124 nan 4.420 nan 0.000 0.279 400 P C 0.551 177.636 177.300 -0.358 0.000 1.239 400 P CA -0.157 62.650 63.100 -0.488 0.000 0.789 400 P CB 1.150 32.836 31.700 -0.024 0.000 0.933 401 T N -1.859 112.411 114.554 -0.474 0.000 3.069 401 T HA 0.193 4.543 4.350 0.000 0.000 0.252 401 T C 0.557 174.583 174.700 -1.123 0.000 1.053 401 T CA 0.110 61.776 62.100 -0.723 0.000 0.964 401 T CB -0.164 68.394 68.868 -0.518 0.000 1.005 401 T HN 0.567 nan 8.240 nan 0.000 0.532 402 T N 0.295 114.437 114.554 -0.687 0.000 2.830 402 T HA 0.429 4.779 4.350 0.000 0.000 0.322 402 T C -0.294 174.382 174.700 -0.041 0.000 1.501 402 T CA -0.755 61.005 62.100 -0.565 0.000 1.036 402 T CB 0.591 69.061 68.868 -0.662 0.000 1.379 402 T HN 0.053 nan 8.240 nan 0.000 0.493 403 F N 1.110 121.267 119.950 0.344 0.000 2.451 403 F HA 0.154 4.681 4.527 0.000 0.000 0.299 403 F C 2.119 178.030 175.800 0.185 0.000 1.101 403 F CA 0.569 58.740 58.000 0.286 0.000 1.436 403 F CB -0.895 38.250 39.000 0.241 0.000 1.074 403 F HN 0.548 nan 8.300 nan 0.000 0.553 404 Q N 0.556 120.410 119.800 0.091 0.000 2.364 404 Q HA -0.050 4.290 4.340 0.000 0.000 0.207 404 Q C 0.193 176.279 176.000 0.144 0.000 0.970 404 Q CA 0.814 56.700 55.803 0.139 0.000 0.888 404 Q CB -0.160 28.571 28.738 -0.013 0.000 0.951 404 Q HN 0.614 nan 8.270 nan 0.000 0.469 405 Q N 0.510 120.404 119.800 0.158 0.000 2.293 405 Q HA 0.356 4.696 4.340 0.000 0.000 0.261 405 Q C -0.706 175.504 176.000 0.349 0.000 0.960 405 Q CA -0.451 55.505 55.803 0.255 0.000 0.882 405 Q CB 2.006 30.893 28.738 0.248 0.000 1.275 405 Q HN 0.032 nan 8.270 nan 0.000 0.445 406 S N 0.499 116.341 115.700 0.236 0.000 2.618 406 S HA 0.941 5.411 4.470 0.000 0.000 0.277 406 S C -1.414 172.967 174.600 -0.365 0.000 1.138 406 S CA -0.715 57.520 58.200 0.059 0.000 0.844 406 S CB 2.165 65.420 63.200 0.092 0.000 1.127 406 S HN 0.735 nan 8.310 nan 0.000 0.474 407 A N 0.038 122.554 122.820 -0.506 0.000 2.566 407 A HA 0.992 5.312 4.320 0.000 0.000 0.297 407 A C -0.033 177.495 177.584 -0.093 0.000 1.059 407 A CA -0.184 51.578 52.037 -0.457 0.000 0.691 407 A CB 0.881 19.183 19.000 -1.164 0.000 1.282 407 A HN 2.346 nan 8.150 nan 0.000 0.401 408 G N -0.644 108.257 108.800 0.168 0.000 2.325 408 G HA2 0.590 4.550 3.960 0.000 0.000 0.295 408 G HA3 0.590 4.550 3.960 0.000 0.000 0.295 408 G C -2.130 172.975 174.900 0.342 0.000 1.274 408 G CA -0.204 45.048 45.100 0.254 0.000 0.857 408 G HN 1.746 nan 8.290 nan 0.000 0.499 409 L N 0.511 121.945 121.223 0.351 0.000 2.289 409 L HA 0.817 5.157 4.340 0.000 0.000 0.285 409 L C -0.532 176.591 176.870 0.421 0.000 1.049 409 L CA -0.654 54.441 54.840 0.424 0.000 0.804 409 L CB 1.588 43.944 42.059 0.494 0.000 1.195 409 L HN 0.476 nan 8.230 nan 0.000 0.428 410 V N 4.921 125.108 119.914 0.455 0.000 2.577 410 V HA 0.501 4.621 4.120 0.000 0.000 0.303 410 V C -0.593 175.831 176.094 0.549 0.000 1.042 410 V CA -0.877 61.670 62.300 0.412 0.000 0.872 410 V CB 1.813 33.749 31.823 0.188 0.000 0.998 410 V HN 0.758 nan 8.190 nan 0.000 0.423 411 N N 3.372 122.399 118.700 0.545 0.000 2.419 411 N HA 0.519 5.259 4.740 0.000 0.000 0.277 411 N C -1.537 174.254 175.510 0.468 0.000 1.006 411 N CA -0.268 53.096 53.050 0.524 0.000 0.923 411 N CB 2.417 41.170 38.487 0.444 0.000 1.140 411 N HN 0.806 nan 8.380 nan 0.000 0.488 412 Y N 1.933 122.396 120.300 0.272 0.000 2.470 412 Y HA 0.174 4.724 4.550 0.000 0.000 0.341 412 Y C -0.788 175.270 175.900 0.263 0.000 1.021 412 Y CA -0.659 57.632 58.100 0.317 0.000 1.025 412 Y CB 1.304 39.984 38.460 0.368 0.000 1.266 412 Y HN 0.535 nan 8.280 nan 0.000 0.448 413 Y N 3.989 124.155 120.300 -0.222 0.000 2.576 413 Y HA 0.300 4.850 4.550 0.000 0.000 0.282 413 Y C -0.249 175.474 175.900 -0.296 0.000 1.139 413 Y CA 0.841 58.847 58.100 -0.157 0.000 1.265 413 Y CB 0.548 38.895 38.460 -0.188 0.000 1.376 413 Y HN 0.753 nan 8.280 nan 0.000 0.511 414 N N -2.403 116.048 118.700 -0.414 0.000 3.243 414 N HA 0.100 4.840 4.740 0.000 0.000 0.280 414 N C 0.331 175.586 175.510 -0.424 0.000 1.545 414 N CA 0.135 52.952 53.050 -0.389 0.000 0.854 414 N CB 0.403 38.855 38.487 -0.059 0.000 1.612 414 N HN 0.007 nan 8.380 nan 0.000 0.577 415 T N -2.976 111.537 114.554 -0.068 0.000 2.869 415 T HA -0.178 4.172 4.350 0.000 0.000 0.270 415 T C 0.849 175.671 174.700 0.202 0.000 1.082 415 T CA 1.442 63.623 62.100 0.134 0.000 1.123 415 T CB -0.362 68.566 68.868 0.100 0.000 0.856 415 T HN 0.597 nan 8.240 nan 0.000 0.499 416 Q N 0.340 120.130 119.800 -0.017 0.000 2.281 416 Q HA 0.245 4.585 4.340 0.000 0.000 0.215 416 Q C -0.218 175.558 176.000 -0.373 0.000 0.867 416 Q CA -0.030 55.684 55.803 -0.148 0.000 0.940 416 Q CB 0.600 29.243 28.738 -0.158 0.000 1.111 416 Q HN 0.502 nan 8.270 nan 0.000 0.513 417 N N 1.052 119.538 118.700 -0.356 0.000 2.577 417 N HA 0.214 4.954 4.740 0.000 0.000 0.275 417 N C -1.448 173.928 175.510 -0.223 0.000 1.091 417 N CA -0.142 52.683 53.050 -0.375 0.000 0.843 417 N CB 1.440 39.740 38.487 -0.311 0.000 1.295 417 N HN 0.172 nan 8.380 nan 0.000 0.530 418 W N 0.278 121.501 121.300 -0.129 0.000 2.982 418 W HA 0.462 5.122 4.660 0.000 0.000 0.344 418 W C -1.210 175.332 176.519 0.037 0.000 1.215 418 W CA -0.886 56.428 57.345 -0.052 0.000 1.182 418 W CB 0.549 29.974 29.460 -0.058 0.000 1.437 418 W HN 0.205 nan 8.180 nan 0.000 0.570 419 T N -0.808 114.063 114.554 0.527 0.000 2.883 419 T HA 0.745 5.095 4.350 0.000 0.000 0.296 419 T C -1.135 173.786 174.700 0.369 0.000 1.117 419 T CA -0.686 61.644 62.100 0.383 0.000 1.006 419 T CB 2.476 71.450 68.868 0.176 0.000 1.191 419 T HN 0.743 nan 8.240 nan 0.000 0.508 420 T N 0.800 115.415 114.554 0.102 0.000 3.047 420 T HA 0.503 4.854 4.350 0.000 0.000 0.340 420 T C -2.182 172.332 174.700 -0.311 0.000 1.421 420 T CA -0.675 61.408 62.100 -0.027 0.000 1.090 420 T CB 1.472 70.376 68.868 0.060 0.000 1.292 420 T HN 0.837 nan 8.240 nan 0.000 0.480 421 L N 5.409 126.420 121.223 -0.352 0.000 2.282 421 L HA 0.781 5.121 4.340 0.000 0.000 0.288 421 L C -0.579 176.324 176.870 0.055 0.000 1.033 421 L CA 0.229 54.971 54.840 -0.163 0.000 0.807 421 L CB 1.012 43.036 42.059 -0.058 0.000 1.209 421 L HN 0.830 nan 8.230 nan 0.000 0.423 422 Q N 4.221 124.061 119.800 0.066 0.000 2.391 422 Q HA 0.612 4.952 4.340 0.000 0.000 0.279 422 Q C -1.430 174.632 176.000 0.103 0.000 1.028 422 Q CA -0.878 54.976 55.803 0.085 0.000 0.836 422 Q CB 1.697 30.468 28.738 0.055 0.000 1.414 422 Q HN 0.576 nan 8.270 nan 0.000 0.397 423 I N 1.294 121.928 120.570 0.106 0.000 2.472 423 I HA 0.613 4.783 4.170 0.000 0.000 0.290 423 I C 0.241 176.506 176.117 0.246 0.000 1.016 423 I CA -0.228 61.183 61.300 0.184 0.000 1.348 423 I CB 1.623 39.779 38.000 0.259 0.000 1.417 423 I HN 0.857 nan 8.210 nan 0.000 0.521 424 T N 3.292 118.022 114.554 0.293 0.000 2.630 424 T HA 0.399 4.749 4.350 0.000 0.000 0.300 424 T C -2.328 172.601 174.700 0.381 0.000 1.261 424 T CA -0.511 61.807 62.100 0.363 0.000 1.060 424 T CB 0.930 69.984 68.868 0.311 0.000 1.670 424 T HN 0.584 nan 8.240 nan 0.000 0.473 425 W N 1.399 122.816 121.300 0.194 0.000 2.844 425 W HA 0.726 5.386 4.660 0.000 0.000 0.340 425 W C -1.320 175.351 176.519 0.252 0.000 1.093 425 W CA -0.447 56.995 57.345 0.161 0.000 1.212 425 W CB 1.232 30.731 29.460 0.066 0.000 1.422 425 W HN 0.714 nan 8.180 nan 0.000 0.515 426 H N 3.142 121.753 119.070 -0.765 0.000 2.806 426 H HA 0.188 4.744 4.556 0.000 0.000 0.367 426 H C 0.306 174.854 175.328 -1.299 0.000 1.136 426 H CA -0.295 55.341 56.048 -0.687 0.000 1.178 426 H CB 2.283 31.844 29.762 -0.336 0.000 1.718 426 H HN 0.600 nan 8.280 nan 0.000 0.540 427 E N 1.992 121.502 120.200 -1.151 0.000 2.118 427 E HA -0.164 4.186 4.350 0.000 0.000 0.195 427 E C 1.259 177.659 176.600 -0.332 0.000 0.992 427 E CA 1.510 57.489 56.400 -0.701 0.000 0.804 427 E CB 0.445 29.966 29.700 -0.298 0.000 0.741 427 E HN 0.596 nan 8.360 nan 0.000 0.458 428 E N 0.216 120.364 120.200 -0.087 0.000 2.065 428 E HA 0.023 4.373 4.350 0.000 0.000 0.191 428 E C 1.797 178.387 176.600 -0.016 0.000 0.960 428 E CA 0.590 57.013 56.400 0.039 0.000 0.824 428 E CB -0.066 29.718 29.700 0.141 0.000 0.793 428 E HN 0.168 nan 8.360 nan 0.000 0.459 429 K N 0.705 121.115 120.400 0.018 0.000 2.366 429 K HA 0.073 4.393 4.320 0.000 0.000 0.198 429 K C 1.163 177.679 176.600 -0.140 0.000 1.044 429 K CA 0.530 56.750 56.287 -0.110 0.000 0.973 429 K CB 0.290 32.657 32.500 -0.222 0.000 0.767 429 K HN 0.201 nan 8.250 nan 0.000 0.475 430 G N 2.281 110.911 108.800 -0.283 0.000 2.528 430 G HA2 -0.361 3.599 3.960 0.000 0.000 0.262 430 G HA3 -0.361 3.599 3.960 0.000 0.000 0.262 430 G C -0.553 174.206 174.900 -0.235 0.000 1.200 430 G CA -0.021 44.898 45.100 -0.301 0.000 0.951 430 G HN 0.390 nan 8.290 nan 0.000 0.566 431 R N 0.812 121.329 120.500 0.029 0.000 2.489 431 R HA 0.476 4.816 4.340 0.000 0.000 0.287 431 R C 0.664 176.994 176.300 0.050 0.000 1.053 431 R CA 0.599 56.765 56.100 0.110 0.000 1.036 431 R CB -0.323 30.049 30.300 0.120 0.000 0.966 431 R HN 0.828 nan 8.270 nan 0.000 0.432 432 I N 0.652 121.273 120.570 0.084 0.000 3.145 432 I HA 0.489 4.659 4.170 0.000 0.000 0.313 432 I C -1.372 174.798 176.117 0.089 0.000 1.122 432 I CA -1.273 60.058 61.300 0.052 0.000 0.987 432 I CB 1.950 39.952 38.000 0.003 0.000 1.236 432 I HN 0.407 nan 8.210 nan 0.000 0.453 433 L N 2.367 123.616 121.223 0.043 0.000 2.349 433 L HA 0.591 4.931 4.340 0.000 0.000 0.278 433 L C -0.964 175.911 176.870 0.008 0.000 0.996 433 L CA -0.136 54.725 54.840 0.035 0.000 0.825 433 L CB 1.709 43.749 42.059 -0.033 0.000 1.243 433 L HN 0.962 nan 8.230 nan 0.000 0.412 434 E N 4.539 124.765 120.200 0.044 0.000 2.416 434 E HA 0.636 4.986 4.350 0.000 0.000 0.273 434 E C -1.688 174.939 176.600 0.046 0.000 0.935 434 E CA -0.994 55.433 56.400 0.046 0.000 0.784 434 E CB 2.430 32.169 29.700 0.065 0.000 1.301 434 E HN 0.425 nan 8.360 nan 0.000 0.454 435 L N 1.581 122.842 121.223 0.063 0.000 2.325 435 L HA 0.637 4.977 4.340 0.000 0.000 0.278 435 L C -0.301 176.635 176.870 0.110 0.000 1.023 435 L CA -0.829 54.053 54.840 0.070 0.000 0.811 435 L CB 1.722 43.887 42.059 0.176 0.000 1.249 435 L HN 0.649 nan 8.230 nan 0.000 0.431 436 M N 2.618 122.292 119.600 0.122 0.000 2.365 436 M HA 0.470 4.950 4.480 0.000 0.000 0.287 436 M C -1.294 175.123 176.300 0.195 0.000 1.154 436 M CA -0.256 55.149 55.300 0.174 0.000 0.941 436 M CB 2.461 35.200 32.600 0.231 0.000 1.704 436 M HN 0.687 nan 8.290 nan 0.000 0.479 437 T N 0.527 115.127 114.554 0.076 0.000 2.907 437 T HA 0.716 5.066 4.350 0.000 0.000 0.292 437 T C -1.310 173.111 174.700 -0.465 0.000 1.043 437 T CA -0.716 61.337 62.100 -0.078 0.000 1.003 437 T CB 1.727 70.637 68.868 0.070 0.000 1.084 437 T HN 0.836 nan 8.240 nan 0.000 0.483 438 C N 2.583 121.377 119.300 -0.843 0.000 2.431 438 C HA 0.751 5.211 4.460 0.000 0.000 0.321 438 C C -1.473 173.177 174.990 -0.566 0.000 1.202 438 C CA -0.396 58.044 59.018 -0.965 0.000 1.398 438 C CB 0.382 26.931 27.740 -1.984 0.000 2.047 438 C HN 1.029 nan 8.230 nan 0.000 0.465 439 D N 3.186 123.405 120.400 -0.301 0.000 2.542 439 D HA 0.318 4.958 4.640 0.000 0.000 0.252 439 D C -0.134 176.161 176.300 -0.009 0.000 1.222 439 D CA -0.083 53.857 54.000 -0.099 0.000 0.895 439 D CB 0.370 41.194 40.800 0.040 0.000 1.207 439 D HN 0.802 nan 8.370 nan 0.000 0.558 440 H N 3.262 122.236 119.070 -0.160 0.000 2.506 440 H HA -0.220 4.336 4.556 0.000 0.000 0.323 440 H C 1.345 176.597 175.328 -0.128 0.000 1.076 440 H CA 0.733 56.690 56.048 -0.152 0.000 1.108 440 H CB -0.918 28.744 29.762 -0.167 0.000 1.569 440 H HN 0.448 nan 8.280 nan 0.000 0.399 441 L N -2.599 118.556 121.223 -0.112 0.000 5.198 441 L HA -0.264 4.076 4.340 0.000 0.000 0.414 441 L C -0.056 176.758 176.870 -0.094 0.000 0.922 441 L CA 1.548 56.334 54.840 -0.090 0.000 1.585 441 L CB -0.767 41.278 42.059 -0.024 0.000 1.671 441 L HN 0.266 nan 8.230 nan 0.000 0.621 442 V N 1.063 120.925 119.914 -0.087 0.000 2.488 442 V HA 0.358 4.479 4.120 0.000 0.000 0.277 442 V C 0.598 176.617 176.094 -0.126 0.000 1.046 442 V CA -0.129 62.127 62.300 -0.073 0.000 0.986 442 V CB 1.273 33.073 31.823 -0.039 0.000 0.989 442 V HN 0.047 nan 8.190 nan 0.000 0.475 443 V N 4.377 124.233 119.914 -0.098 0.000 2.472 443 V HA 0.478 4.598 4.120 0.000 0.000 0.290 443 V C -0.359 175.704 176.094 -0.052 0.000 1.037 443 V CA -0.424 61.809 62.300 -0.111 0.000 0.908 443 V CB 1.895 33.682 31.823 -0.060 0.000 0.985 443 V HN 0.976 nan 8.190 nan 0.000 0.454 444 D N 2.780 123.154 120.400 -0.043 0.000 2.619 444 D HA 0.431 5.071 4.640 0.000 0.000 0.241 444 D C -0.709 175.615 176.300 0.040 0.000 1.087 444 D CA -0.443 53.558 54.000 0.002 0.000 0.851 444 D CB 2.082 42.885 40.800 0.005 0.000 1.474 444 D HN 0.519 nan 8.370 nan 0.000 0.478 445 Q N 3.605 123.432 119.800 0.045 0.000 2.571 445 Q HA 0.281 4.621 4.340 0.000 0.000 0.243 445 Q C -1.845 174.187 176.000 0.055 0.000 1.055 445 Q CA -1.687 54.155 55.803 0.065 0.000 0.815 445 Q CB 1.863 30.636 28.738 0.059 0.000 1.151 445 Q HN 0.296 nan 8.270 nan 0.000 0.519 446 P HA -0.130 nan 4.420 nan 0.000 0.229 446 P C 0.117 177.436 177.300 0.031 0.000 1.150 446 P CA 0.879 64.002 63.100 0.038 0.000 0.765 446 P CB 0.320 32.044 31.700 0.040 0.000 0.783 447 L N -1.269 119.980 121.223 0.043 0.000 3.110 447 L HA 0.218 4.558 4.340 0.000 0.000 0.266 447 L C 0.510 177.387 176.870 0.010 0.000 1.257 447 L CA -0.330 54.527 54.840 0.029 0.000 1.038 447 L CB -0.380 41.703 42.059 0.040 0.000 1.395 447 L HN -0.248 nan 8.230 nan 0.000 0.566 448 R N 0.259 120.765 120.500 0.011 0.000 2.507 448 R HA 0.318 4.658 4.340 0.000 0.000 0.341 448 R C 1.349 177.640 176.300 -0.016 0.000 0.960 448 R CA 0.846 56.947 56.100 0.001 0.000 1.032 448 R CB -0.285 30.020 30.300 0.008 0.000 0.933 448 R HN 0.448 nan 8.270 nan 0.000 0.418 449 G N 2.850 111.623 108.800 -0.044 0.000 2.225 449 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 449 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 449 G C 0.836 175.707 174.900 -0.049 0.000 0.988 449 G CA -0.021 45.043 45.100 -0.059 0.000 0.625 449 G HN 0.601 nan 8.290 nan 0.000 0.527 450 R N 0.610 121.092 120.500 -0.030 0.000 2.466 450 R HA 0.244 4.584 4.340 0.000 0.000 0.279 450 R C -0.028 176.261 176.300 -0.018 0.000 0.976 450 R CA -0.144 55.948 56.100 -0.013 0.000 1.081 450 R CB 0.292 30.596 30.300 0.008 0.000 1.215 450 R HN 0.489 nan 8.270 nan 0.000 0.546 451 E N 1.103 121.273 120.200 -0.050 0.000 2.384 451 E HA 0.036 4.386 4.350 0.000 0.000 0.266 451 E C -0.112 176.452 176.600 -0.060 0.000 1.012 451 E CA 0.216 56.583 56.400 -0.056 0.000 0.901 451 E CB 0.711 30.357 29.700 -0.090 0.000 0.967 451 E HN -0.034 nan 8.360 nan 0.000 0.435 452 I N 3.717 124.244 120.570 -0.071 0.000 2.363 452 I HA 0.029 4.199 4.170 0.000 0.000 0.292 452 I C -0.149 175.955 176.117 -0.021 0.000 1.075 452 I CA -0.306 60.939 61.300 -0.093 0.000 1.333 452 I CB 0.115 37.905 38.000 -0.351 0.000 1.415 452 I HN 0.249 nan 8.210 nan 0.000 0.502 453 V N 7.961 127.882 119.914 0.013 0.000 2.485 453 V HA 0.048 4.168 4.120 0.000 0.000 0.287 453 V C 0.551 176.671 176.094 0.043 0.000 1.022 453 V CA -0.360 61.946 62.300 0.010 0.000 1.067 453 V CB 1.098 32.914 31.823 -0.011 0.000 0.967 453 V HN 0.402 nan 8.190 nan 0.000 0.479 454 V N 8.112 128.021 119.914 -0.008 0.000 2.432 454 V HA 0.289 4.409 4.120 0.000 0.000 0.275 454 V C -2.039 173.919 176.094 -0.227 0.000 1.043 454 V CA -1.766 60.437 62.300 -0.162 0.000 0.925 454 V CB 1.292 33.100 31.823 -0.025 0.000 0.985 454 V HN 0.782 nan 8.190 nan 0.000 0.466 455 P HA 0.185 nan 4.420 nan 0.000 0.271 455 P C 0.004 177.200 177.300 -0.174 0.000 1.216 455 P CA -0.177 62.779 63.100 -0.240 0.000 0.771 455 P CB 0.613 32.146 31.700 -0.278 0.000 0.864 456 D N 0.950 121.291 120.400 -0.099 0.000 2.363 456 D HA -0.104 4.536 4.640 0.000 0.000 0.226 456 D C 1.008 177.269 176.300 -0.065 0.000 1.020 456 D CA 0.852 54.811 54.000 -0.070 0.000 0.892 456 D CB -0.143 40.634 40.800 -0.039 0.000 0.900 456 D HN 0.498 nan 8.370 nan 0.000 0.531 457 D N -0.333 120.026 120.400 -0.068 0.000 2.349 457 D HA -0.076 4.564 4.640 0.000 0.000 0.214 457 D C 0.338 176.614 176.300 -0.040 0.000 1.063 457 D CA -0.181 53.793 54.000 -0.044 0.000 0.847 457 D CB 0.392 41.175 40.800 -0.028 0.000 0.933 457 D HN 0.006 nan 8.370 nan 0.000 0.513 458 I N 2.016 122.540 120.570 -0.077 0.000 2.312 458 I HA 0.134 4.304 4.170 0.000 0.000 0.291 458 I C 1.451 177.550 176.117 -0.030 0.000 1.031 458 I CA -0.366 60.906 61.300 -0.045 0.000 1.293 458 I CB 1.177 39.080 38.000 -0.161 0.000 1.403 458 I HN 0.041 nan 8.210 nan 0.000 0.484 459 E N 5.468 125.672 120.200 0.007 0.000 2.051 459 E HA -0.070 4.281 4.350 0.000 0.000 0.189 459 E C -0.407 176.044 176.600 -0.247 0.000 0.979 459 E CA 0.989 57.304 56.400 -0.143 0.000 0.803 459 E CB 0.348 29.957 29.700 -0.151 0.000 0.761 459 E HN 0.516 nan 8.360 nan 0.000 0.451 460 Y N -0.227 120.115 120.300 0.070 0.000 2.377 460 Y HA 0.392 4.942 4.550 0.000 0.000 0.339 460 Y C -0.477 175.477 175.900 0.090 0.000 1.011 460 Y CA -1.008 57.099 58.100 0.012 0.000 1.093 460 Y CB 1.994 40.392 38.460 -0.104 0.000 1.201 460 Y HN -0.260 nan 8.280 nan 0.000 0.455 461 V N 3.729 123.775 119.914 0.220 0.000 2.459 461 V HA 0.346 4.466 4.120 0.000 0.000 0.295 461 V C -0.991 175.205 176.094 0.170 0.000 1.029 461 V CA -1.304 61.192 62.300 0.326 0.000 0.874 461 V CB 1.030 33.068 31.823 0.357 0.000 0.985 461 V HN 0.593 nan 8.190 nan 0.000 0.438 462 Y N 4.751 125.201 120.300 0.250 0.000 2.342 462 Y HA 0.703 5.253 4.550 0.000 0.000 0.334 462 Y C 0.020 176.188 175.900 0.447 0.000 1.067 462 Y CA -0.733 57.548 58.100 0.302 0.000 1.128 462 Y CB 1.383 39.961 38.460 0.197 0.000 1.200 462 Y HN 0.386 nan 8.280 nan 0.000 0.464 463 L N 4.606 126.207 121.223 0.630 0.000 2.376 463 L HA 0.622 4.963 4.340 0.000 0.000 0.275 463 L C -0.565 176.610 176.870 0.508 0.000 0.987 463 L CA -0.771 54.416 54.840 0.579 0.000 0.828 463 L CB 2.156 44.492 42.059 0.461 0.000 1.249 463 L HN 0.583 nan 8.230 nan 0.000 0.409 464 R N 2.568 123.337 120.500 0.448 0.000 2.561 464 R HA 0.738 5.078 4.340 0.000 0.000 0.297 464 R C -1.924 174.445 176.300 0.116 0.000 0.969 464 R CA -0.533 55.656 56.100 0.149 0.000 0.879 464 R CB 2.652 32.792 30.300 -0.266 0.000 1.178 464 R HN 0.427 nan 8.270 nan 0.000 0.445 465 V N 4.077 123.984 119.914 -0.011 0.000 2.448 465 V HA 0.501 4.621 4.120 0.000 0.000 0.295 465 V C -1.077 174.872 176.094 -0.242 0.000 1.025 465 V CA -0.172 61.996 62.300 -0.220 0.000 0.859 465 V CB 2.102 33.729 31.823 -0.328 0.000 0.988 465 V HN 0.904 nan 8.190 nan 0.000 0.431 466 T N 6.432 120.841 114.554 -0.241 0.000 2.772 466 T HA 0.524 4.875 4.350 0.000 0.000 0.288 466 T C -0.496 174.023 174.700 -0.301 0.000 0.994 466 T CA -0.317 61.624 62.100 -0.266 0.000 0.951 466 T CB 1.238 70.005 68.868 -0.168 0.000 0.933 466 T HN 0.479 nan 8.240 nan 0.000 0.447 467 V N 4.695 124.257 119.914 -0.588 0.000 2.370 467 V HA 0.392 4.513 4.120 0.000 0.000 0.283 467 V C -0.202 175.668 176.094 -0.373 0.000 1.023 467 V CA -0.691 61.226 62.300 -0.638 0.000 0.857 467 V CB 1.439 32.329 31.823 -1.554 0.000 0.985 467 V HN 0.742 nan 8.190 nan 0.000 0.443 468 Q N 3.557 123.282 119.800 -0.126 0.000 2.523 468 Q HA 0.589 4.929 4.340 0.000 0.000 0.251 468 Q C 0.753 176.746 176.000 -0.012 0.000 1.033 468 Q CA 0.352 56.165 55.803 0.017 0.000 0.746 468 Q CB 1.587 30.383 28.738 0.096 0.000 1.189 468 Q HN 0.995 nan 8.270 nan 0.000 0.508 469 A N 2.362 125.055 122.820 -0.212 0.000 5.065 469 A HA -0.399 3.921 4.320 0.000 0.000 0.353 469 A C 1.570 179.216 177.584 0.104 0.000 1.666 469 A CA 3.008 54.979 52.037 -0.111 0.000 0.694 469 A CB -2.031 16.885 19.000 -0.140 0.000 1.495 469 A HN 0.744 nan 8.150 nan 0.000 0.410 470 T N -1.909 112.698 114.554 0.088 0.000 3.088 470 T HA 0.408 4.758 4.350 0.000 0.000 0.259 470 T C 0.728 175.540 174.700 0.186 0.000 1.122 470 T CA 1.778 63.967 62.100 0.148 0.000 1.095 470 T CB -0.800 68.116 68.868 0.080 0.000 0.930 470 T HN 2.027 nan 8.240 nan 0.000 0.508 471 T N -0.114 114.538 114.554 0.163 0.000 2.901 471 T HA 0.695 5.045 4.350 0.000 0.000 0.293 471 T C -1.211 173.620 174.700 0.219 0.000 1.084 471 T CA -1.120 61.066 62.100 0.143 0.000 1.008 471 T CB 1.997 70.898 68.868 0.056 0.000 1.170 471 T HN 0.508 nan 8.240 nan 0.000 0.509 472 Y N -1.820 118.546 120.300 0.110 0.000 2.638 472 Y HA 0.863 5.413 4.550 0.000 0.000 0.335 472 Y C -1.422 174.549 175.900 0.118 0.000 1.155 472 Y CA -1.360 56.751 58.100 0.019 0.000 1.046 472 Y CB 1.559 39.972 38.460 -0.078 0.000 1.303 472 Y HN 0.577 nan 8.280 nan 0.000 0.460 473 K N 1.525 122.022 120.400 0.161 0.000 2.469 473 K HA 0.399 4.719 4.320 0.000 0.000 0.254 473 K C -2.083 174.579 176.600 0.103 0.000 0.939 473 K CA -0.886 55.511 56.287 0.183 0.000 0.812 473 K CB 2.606 35.176 32.500 0.118 0.000 1.301 473 K HN 0.829 nan 8.250 nan 0.000 0.433 474 Y N 0.355 120.850 120.300 0.325 0.000 2.360 474 Y HA 0.294 4.844 4.550 0.000 0.000 0.337 474 Y C 0.598 176.667 175.900 0.281 0.000 1.039 474 Y CA -0.201 58.076 58.100 0.295 0.000 1.109 474 Y CB 1.984 40.639 38.460 0.324 0.000 1.201 474 Y HN 0.533 nan 8.280 nan 0.000 0.458 475 S N 2.332 118.293 115.700 0.436 0.000 2.546 475 S HA 0.702 5.172 4.470 0.000 0.000 0.274 475 S C -1.475 173.521 174.600 0.660 0.000 1.121 475 S CA -0.929 57.539 58.200 0.447 0.000 0.887 475 S CB 1.218 64.601 63.200 0.304 0.000 1.094 475 S HN 0.622 nan 8.310 nan 0.000 0.474 476 Y N -0.421 120.139 120.300 0.434 0.000 2.587 476 Y HA 0.892 5.442 4.550 0.000 0.000 0.337 476 Y C -0.305 175.468 175.900 -0.212 0.000 1.065 476 Y CA -0.952 57.293 58.100 0.243 0.000 1.126 476 Y CB 1.631 40.109 38.460 0.031 0.000 1.279 476 Y HN 0.796 nan 8.280 nan 0.000 0.489 477 S N 1.187 116.606 115.700 -0.470 0.000 2.536 477 S HA 0.507 4.977 4.470 0.000 0.000 0.271 477 S C -1.044 173.424 174.600 -0.219 0.000 1.134 477 S CA -0.654 57.014 58.200 -0.886 0.000 0.897 477 S CB 0.503 62.542 63.200 -1.934 0.000 1.094 477 S HN 0.614 nan 8.310 nan 0.000 0.473 478 F N 2.087 122.034 119.950 -0.005 0.000 2.749 478 F HA 0.269 4.796 4.527 0.000 0.000 0.300 478 F C 1.681 177.572 175.800 0.152 0.000 1.103 478 F CA -0.159 57.943 58.000 0.170 0.000 1.342 478 F CB 0.354 39.440 39.000 0.143 0.000 1.098 478 F HN 0.682 nan 8.300 nan 0.000 0.586 479 D N -2.571 117.831 120.400 0.005 0.000 2.510 479 D HA 0.181 4.821 4.640 0.000 0.000 0.234 479 D C 1.746 177.720 176.300 -0.543 0.000 1.178 479 D CA 0.873 54.815 54.000 -0.096 0.000 0.816 479 D CB 0.004 40.767 40.800 -0.062 0.000 1.143 479 D HN 0.179 nan 8.370 nan 0.000 0.526 480 G N 0.995 109.041 108.800 -1.256 0.000 2.162 480 G HA2 -0.361 3.600 3.960 0.000 0.000 0.260 480 G HA3 -0.361 3.600 3.960 0.000 0.000 0.260 480 G C 0.835 175.454 174.900 -0.467 0.000 0.976 480 G CA 0.975 45.225 45.100 -1.417 0.000 0.655 480 G HN 0.405 nan 8.290 nan 0.000 0.533 481 M N -0.815 118.521 119.600 -0.439 0.000 2.971 481 M HA 0.214 4.694 4.480 0.000 0.000 0.238 481 M C 0.634 176.839 176.300 -0.158 0.000 1.582 481 M CA 0.365 55.578 55.300 -0.144 0.000 1.223 481 M CB 0.388 32.929 32.600 -0.098 0.000 1.238 481 M HN 0.160 nan 8.290 nan 0.000 0.568 482 N N 0.205 118.701 118.700 -0.340 0.000 2.414 482 N HA 0.238 4.978 4.740 0.000 0.000 0.256 482 N C -1.784 173.422 175.510 -0.506 0.000 1.029 482 N CA -0.316 52.577 53.050 -0.262 0.000 0.948 482 N CB 0.674 39.055 38.487 -0.176 0.000 1.102 482 N HN 0.126 nan 8.380 nan 0.000 0.496 483 W N 2.855 124.053 121.300 -0.169 0.000 2.529 483 W HA 0.543 5.204 4.660 0.000 0.000 0.321 483 W C -0.339 176.028 176.519 -0.254 0.000 1.047 483 W CA -0.559 56.653 57.345 -0.220 0.000 1.216 483 W CB 0.948 30.332 29.460 -0.127 0.000 1.357 483 W HN 0.196 nan 8.180 nan 0.000 0.489 484 I N 3.524 123.954 120.570 -0.234 0.000 2.418 484 I HA 0.176 4.346 4.170 0.000 0.000 0.287 484 I C -0.426 175.662 176.117 -0.047 0.000 1.008 484 I CA -0.931 60.230 61.300 -0.232 0.000 1.104 484 I CB 1.236 38.958 38.000 -0.463 0.000 1.264 484 I HN 0.206 nan 8.210 nan 0.000 0.438 485 D N 6.085 126.537 120.400 0.087 0.000 2.341 485 D HA 0.353 4.994 4.640 0.000 0.000 0.245 485 D C -0.338 176.099 176.300 0.228 0.000 1.106 485 D CA 0.071 54.174 54.000 0.172 0.000 0.905 485 D CB 1.076 41.952 40.800 0.126 0.000 1.202 485 D HN 0.246 nan 8.370 nan 0.000 0.426 486 L N 3.908 125.306 121.223 0.292 0.000 2.281 486 L HA 0.279 4.619 4.340 0.000 0.000 0.285 486 L C -1.694 175.288 176.870 0.186 0.000 1.074 486 L CA -1.512 53.489 54.840 0.269 0.000 0.817 486 L CB 0.798 43.053 42.059 0.327 0.000 1.168 486 L HN 0.223 nan 8.230 nan 0.000 0.434 487 P HA 0.089 nan 4.420 nan 0.000 0.232 487 P C -0.801 176.499 177.300 0.000 0.000 1.738 487 P CA 0.181 63.316 63.100 0.058 0.000 0.948 487 P CB 0.007 31.735 31.700 0.048 0.000 1.943 488 V N 0.656 120.556 119.914 -0.023 0.000 2.655 488 V HA 0.232 4.352 4.120 0.000 0.000 0.301 488 V C 0.006 175.922 176.094 -0.296 0.000 1.082 488 V CA -0.369 61.800 62.300 -0.219 0.000 0.899 488 V CB 2.409 34.025 31.823 -0.344 0.000 1.014 488 V HN 0.071 nan 8.190 nan 0.000 0.429 489 T N 5.554 119.914 114.554 -0.323 0.000 2.744 489 T HA 0.661 5.011 4.350 0.000 0.000 0.291 489 T C -0.478 173.955 174.700 -0.444 0.000 0.957 489 T CA -0.010 61.940 62.100 -0.250 0.000 1.002 489 T CB 0.369 69.163 68.868 -0.122 0.000 0.919 489 T HN 0.277 nan 8.240 nan 0.000 0.468 490 F N 1.451 121.235 119.950 -0.277 0.000 2.399 490 F HA 0.427 4.954 4.527 0.000 0.000 0.328 490 F C 1.093 176.625 175.800 -0.448 0.000 1.084 490 F CA -1.008 56.716 58.000 -0.461 0.000 1.053 490 F CB 1.086 39.562 39.000 -0.874 0.000 1.209 490 F HN 0.441 nan 8.300 nan 0.000 0.502 491 E N 0.239 120.407 120.200 -0.053 0.000 2.179 491 E HA 0.264 4.614 4.350 0.000 0.000 0.275 491 E C -0.143 176.590 176.600 0.221 0.000 0.945 491 E CA -0.326 56.123 56.400 0.081 0.000 0.792 491 E CB 1.638 31.406 29.700 0.113 0.000 1.125 491 E HN 0.562 nan 8.360 nan 0.000 0.397 492 S N 1.517 117.445 115.700 0.379 0.000 2.527 492 S HA -0.096 4.374 4.470 0.000 0.000 0.222 492 S C 1.473 176.236 174.600 0.272 0.000 0.985 492 S CA 0.149 58.651 58.200 0.502 0.000 0.921 492 S CB -0.101 63.480 63.200 0.635 0.000 0.772 492 S HN 0.633 nan 8.310 nan 0.000 0.529 493 Y N 1.553 121.864 120.300 0.018 0.000 2.509 493 Y HA 0.246 4.796 4.550 0.000 0.000 0.293 493 Y C 1.562 177.265 175.900 -0.329 0.000 1.133 493 Y CA 0.551 58.580 58.100 -0.119 0.000 1.283 493 Y CB -0.275 37.977 38.460 -0.347 0.000 1.001 493 Y HN 0.006 nan 8.280 nan 0.000 0.555 494 K N 0.866 120.675 120.400 -0.986 0.000 2.228 494 K HA 0.121 4.441 4.320 0.000 0.000 0.202 494 K C 0.769 177.118 176.600 -0.417 0.000 1.051 494 K CA 0.697 56.283 56.287 -1.169 0.000 0.960 494 K CB 0.015 31.880 32.500 -1.059 0.000 0.743 494 K HN 0.361 nan 8.250 nan 0.000 0.458 495 L N 2.107 123.192 121.223 -0.230 0.000 2.968 495 L HA 0.094 4.434 4.340 0.000 0.000 0.235 495 L C 0.096 176.901 176.870 -0.108 0.000 1.323 495 L CA -0.527 54.215 54.840 -0.164 0.000 1.159 495 L CB -0.234 41.676 42.059 -0.248 0.000 1.523 495 L HN 0.047 nan 8.230 nan 0.000 0.468 496 S N -4.109 111.504 115.700 -0.145 0.000 2.599 496 S HA 0.361 4.831 4.470 0.000 0.000 0.294 496 S C 0.384 174.869 174.600 -0.191 0.000 1.094 496 S CA -0.838 57.366 58.200 0.007 0.000 0.931 496 S CB 2.199 65.553 63.200 0.257 0.000 1.093 496 S HN 0.059 nan 8.310 nan 0.000 0.488 497 D N 1.325 121.722 120.400 -0.005 0.000 2.133 497 D HA -0.091 4.549 4.640 0.000 0.000 0.195 497 D C 0.916 177.208 176.300 -0.012 0.000 0.997 497 D CA 1.967 55.941 54.000 -0.044 0.000 0.840 497 D CB -0.396 40.456 40.800 0.088 0.000 0.947 497 D HN 0.782 nan 8.370 nan 0.000 0.452 498 D N -1.369 119.140 120.400 0.181 0.000 2.317 498 D HA -0.100 4.540 4.640 0.000 0.000 0.211 498 D C 1.435 177.984 176.300 0.414 0.000 0.966 498 D CA 0.244 54.400 54.000 0.260 0.000 0.876 498 D CB -0.149 40.791 40.800 0.234 0.000 0.927 498 D HN 0.226 nan 8.370 nan 0.000 0.519 499 Y N 1.292 121.780 120.300 0.313 0.000 2.457 499 Y HA 0.057 4.607 4.550 0.000 0.000 0.292 499 Y C 0.274 176.252 175.900 0.130 0.000 1.125 499 Y CA 0.169 58.408 58.100 0.232 0.000 1.254 499 Y CB 0.150 38.590 38.460 -0.033 0.000 1.012 499 Y HN -0.165 nan 8.280 nan 0.000 0.555 500 I N 2.004 122.549 120.570 -0.042 0.000 2.436 500 I HA -0.001 4.169 4.170 0.000 0.000 0.289 500 I C 1.100 177.212 176.117 -0.009 0.000 1.083 500 I CA 0.122 61.375 61.300 -0.079 0.000 1.372 500 I CB 1.147 38.986 38.000 -0.268 0.000 1.408 500 I HN 0.059 nan 8.210 nan 0.000 0.516 501 K N 3.313 123.767 120.400 0.090 0.000 2.211 501 K HA -0.108 4.212 4.320 0.000 0.000 0.203 501 K C 1.967 178.545 176.600 -0.037 0.000 1.050 501 K CA 1.145 57.391 56.287 -0.070 0.000 0.945 501 K CB -0.037 32.340 32.500 -0.206 0.000 0.732 501 K HN 0.764 nan 8.250 nan 0.000 0.451 502 S N -0.167 115.518 115.700 -0.024 0.000 2.515 502 S HA -0.038 4.432 4.470 0.000 0.000 0.231 502 S C 1.044 175.611 174.600 -0.055 0.000 0.987 502 S CA 0.458 58.640 58.200 -0.030 0.000 0.936 502 S CB -0.115 63.066 63.200 -0.033 0.000 0.766 502 S HN 0.295 nan 8.310 nan 0.000 0.528 503 R N -0.364 120.077 120.500 -0.099 0.000 4.002 503 R HA -0.203 4.137 4.340 0.000 0.000 0.443 503 R C 0.441 176.533 176.300 -0.348 0.000 0.770 503 R CA 1.111 57.129 56.100 -0.137 0.000 1.648 503 R CB -2.207 28.080 30.300 -0.021 0.000 2.287 503 R HN 0.612 nan 8.270 nan 0.000 0.454 504 A N 1.069 123.685 122.820 -0.340 0.000 2.915 504 A HA 0.575 4.895 4.320 0.000 0.000 0.292 504 A C 0.167 177.297 177.584 -0.758 0.000 1.632 504 A CA 0.710 52.374 52.037 -0.622 0.000 1.337 504 A CB 0.057 18.977 19.000 -0.133 0.000 1.111 504 A HN 0.408 nan 8.150 nan 0.000 0.569 505 A N 1.572 123.678 122.820 -1.191 0.000 2.745 505 A HA 0.662 4.982 4.320 0.000 0.000 0.301 505 A C -0.644 176.573 177.584 -0.611 0.000 1.188 505 A CA -0.298 51.386 52.037 -0.587 0.000 0.746 505 A CB 0.148 18.958 19.000 -0.317 0.000 1.207 505 A HN 0.546 nan 8.150 nan 0.000 0.432 506 F N 0.710 120.420 119.950 -0.399 0.000 2.729 506 F HA 0.136 4.663 4.527 0.000 0.000 0.315 506 F C 1.767 177.121 175.800 -0.743 0.000 1.102 506 F CA 0.608 58.199 58.000 -0.682 0.000 1.204 506 F CB 0.314 38.519 39.000 -1.327 0.000 1.052 506 F HN 0.536 nan 8.300 nan 0.000 0.551 507 T N -2.194 112.030 114.554 -0.550 0.000 2.757 507 T HA 0.809 5.159 4.350 0.000 0.000 0.179 507 T C 0.794 175.082 174.700 -0.687 0.000 0.705 507 T CA 0.174 61.634 62.100 -1.067 0.000 1.952 507 T CB 0.378 68.537 68.868 -1.182 0.000 2.670 507 T HN 0.200 nan 8.240 nan 0.000 0.404 508 G N -0.170 108.246 108.800 -0.639 0.000 2.328 508 G HA2 0.562 4.522 3.960 0.000 0.000 0.299 508 G HA3 0.562 4.522 3.960 0.000 0.000 0.299 508 G C -1.024 173.844 174.900 -0.054 0.000 1.435 508 G CA -0.513 44.523 45.100 -0.107 0.000 0.865 508 G HN 0.874 nan 8.290 nan 0.000 0.601 509 A N -0.406 122.403 122.820 -0.018 0.000 2.407 509 A HA 0.802 5.122 4.320 0.000 0.000 0.248 509 A C -0.746 176.751 177.584 -0.145 0.000 1.082 509 A CA 0.235 52.125 52.037 -0.246 0.000 0.785 509 A CB 0.153 18.533 19.000 -1.034 0.000 1.020 509 A HN 0.928 nan 8.150 nan 0.000 0.489 510 F N -0.014 119.816 119.950 -0.200 0.000 2.588 510 F HA 0.568 5.095 4.527 0.000 0.000 0.314 510 F C 0.004 176.002 175.800 0.329 0.000 1.069 510 F CA -0.701 57.325 58.000 0.043 0.000 0.931 510 F CB 2.415 41.405 39.000 -0.017 0.000 1.260 510 F HN 0.479 nan 8.300 nan 0.000 0.465 511 V N 1.673 121.911 119.914 0.539 0.000 2.680 511 V HA 0.997 5.117 4.120 0.000 0.000 0.309 511 V C -0.573 175.740 176.094 0.366 0.000 1.052 511 V CA 0.060 62.718 62.300 0.598 0.000 0.908 511 V CB 1.434 33.674 31.823 0.695 0.000 1.001 511 V HN 0.939 nan 8.190 nan 0.000 0.431 512 G N 4.861 113.882 108.800 0.368 0.000 2.489 512 G HA2 0.488 4.448 3.960 0.000 0.000 0.305 512 G HA3 0.488 4.448 3.960 0.000 0.000 0.305 512 G C -1.753 173.218 174.900 0.118 0.000 1.311 512 G CA -0.966 44.138 45.100 0.006 0.000 0.813 512 G HN 0.730 nan 8.290 nan 0.000 0.480 513 M N 0.949 120.423 119.600 -0.210 0.000 2.404 513 M HA 0.526 5.006 4.480 0.000 0.000 0.338 513 M C -0.725 175.607 176.300 0.053 0.000 1.150 513 M CA -0.757 54.355 55.300 -0.313 0.000 1.016 513 M CB 2.224 34.057 32.600 -1.278 0.000 1.672 513 M HN 0.610 nan 8.290 nan 0.000 0.448 514 H N 0.991 120.144 119.070 0.138 0.000 2.865 514 H HA 0.518 5.074 4.556 0.000 0.000 0.362 514 H C -2.012 173.409 175.328 0.155 0.000 1.114 514 H CA -0.614 55.551 56.048 0.195 0.000 1.208 514 H CB 2.185 31.984 29.762 0.061 0.000 1.727 514 H HN 0.883 nan 8.280 nan 0.000 0.534 515 C N 5.287 124.489 119.300 -0.163 0.000 2.626 515 C HA 0.671 5.131 4.460 0.000 0.000 0.310 515 C C -0.813 174.076 174.990 -0.169 0.000 1.191 515 C CA -0.570 58.382 59.018 -0.110 0.000 1.517 515 C CB 1.210 28.926 27.740 -0.041 0.000 2.102 515 C HN 0.986 nan 8.230 nan 0.000 0.479 516 R N 3.251 123.756 120.500 0.007 0.000 2.532 516 R HA 0.468 4.808 4.340 0.000 0.000 0.297 516 R C -1.829 174.545 176.300 0.122 0.000 0.984 516 R CA -0.176 55.972 56.100 0.080 0.000 0.884 516 R CB 1.237 31.641 30.300 0.174 0.000 1.182 516 R HN 0.789 nan 8.270 nan 0.000 0.442 517 D N 3.300 123.761 120.400 0.101 0.000 2.438 517 D HA 0.234 4.874 4.640 0.000 0.000 0.257 517 D C 0.464 176.801 176.300 0.061 0.000 1.148 517 D CA -0.259 53.797 54.000 0.094 0.000 0.902 517 D CB 1.377 42.230 40.800 0.088 0.000 1.062 517 D HN 0.831 nan 8.370 nan 0.000 0.518 518 G N 1.264 110.104 108.800 0.067 0.000 2.956 518 G HA2 -0.086 3.875 3.960 0.000 0.000 0.207 518 G HA3 -0.086 3.875 3.960 0.000 0.000 0.207 518 G C 1.196 176.109 174.900 0.022 0.000 1.162 518 G CA 0.574 45.707 45.100 0.055 0.000 0.796 518 G HN 0.426 nan 8.290 nan 0.000 0.527 519 S N -1.275 114.422 115.700 -0.006 0.000 2.503 519 S HA 0.353 4.824 4.470 0.000 0.000 0.215 519 S C 1.785 176.366 174.600 -0.032 0.000 1.003 519 S CA 0.972 59.147 58.200 -0.042 0.000 0.910 519 S CB 0.120 63.264 63.200 -0.093 0.000 0.790 519 S HN 1.331 nan 8.310 nan 0.000 0.514 520 G N 1.398 110.191 108.800 -0.012 0.000 2.160 520 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 520 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 520 G C 0.367 175.258 174.900 -0.016 0.000 1.022 520 G CA 0.426 45.520 45.100 -0.010 0.000 0.741 520 G HN 0.568 nan 8.290 nan 0.000 0.508 521 Q N -0.719 119.070 119.800 -0.018 0.000 2.360 521 Q HA 0.173 4.513 4.340 0.000 0.000 0.202 521 Q C 1.415 177.423 176.000 0.014 0.000 0.915 521 Q CA 0.268 56.056 55.803 -0.026 0.000 0.943 521 Q CB 0.215 28.913 28.738 -0.067 0.000 1.064 521 Q HN 0.551 nan 8.270 nan 0.000 0.511 522 N N 1.214 119.946 118.700 0.052 0.000 2.714 522 N HA -0.190 4.550 4.740 0.000 0.000 0.250 522 N C -0.809 174.843 175.510 0.238 0.000 1.117 522 N CA 0.327 53.459 53.050 0.136 0.000 0.719 522 N CB -1.057 37.485 38.487 0.092 0.000 1.081 522 N HN 0.226 nan 8.380 nan 0.000 0.557 523 N N 0.481 119.250 118.700 0.115 0.000 2.441 523 N HA 0.194 4.934 4.740 0.000 0.000 0.251 523 N C -0.593 174.993 175.510 0.127 0.000 1.242 523 N CA 0.400 53.453 53.050 0.005 0.000 0.898 523 N CB 0.233 38.634 38.487 -0.145 0.000 1.100 523 N HN 0.357 nan 8.380 nan 0.000 0.443 524 Y N -0.537 119.786 120.300 0.038 0.000 2.562 524 Y HA 0.811 5.361 4.550 0.000 0.000 0.343 524 Y C -0.815 175.117 175.900 0.053 0.000 1.025 524 Y CA -1.701 56.357 58.100 -0.071 0.000 1.082 524 Y CB 0.884 39.082 38.460 -0.437 0.000 1.264 524 Y HN 0.459 nan 8.280 nan 0.000 0.478 525 A N 2.015 124.909 122.820 0.122 0.000 2.291 525 A HA 0.493 4.813 4.320 0.000 0.000 0.311 525 A C -1.458 175.978 177.584 -0.248 0.000 1.224 525 A CA -0.790 51.203 52.037 -0.074 0.000 0.821 525 A CB 0.256 19.025 19.000 -0.385 0.000 1.172 525 A HN 0.728 nan 8.150 nan 0.000 0.494 526 D N 2.133 122.423 120.400 -0.182 0.000 2.316 526 D HA 0.373 5.013 4.640 0.000 0.000 0.245 526 D C -1.004 175.233 176.300 -0.105 0.000 1.171 526 D CA 0.646 54.600 54.000 -0.076 0.000 0.856 526 D CB 0.442 41.217 40.800 -0.041 0.000 1.090 526 D HN 0.327 nan 8.370 nan 0.000 0.476 527 F N 1.586 121.647 119.950 0.185 0.000 2.334 527 F HA 0.120 4.647 4.527 0.000 0.000 0.367 527 F C 1.617 177.605 175.800 0.313 0.000 1.115 527 F CA -0.770 57.356 58.000 0.210 0.000 1.116 527 F CB 1.193 40.264 39.000 0.118 0.000 1.230 527 F HN 0.178 nan 8.300 nan 0.000 0.484 528 D N 2.400 123.035 120.400 0.391 0.000 2.092 528 D HA -0.176 4.464 4.640 0.000 0.000 0.193 528 D C -0.221 176.306 176.300 0.379 0.000 0.994 528 D CA 2.144 56.225 54.000 0.135 0.000 0.828 528 D CB 0.148 40.926 40.800 -0.036 0.000 0.963 528 D HN 0.474 nan 8.370 nan 0.000 0.450 529 Y N -3.568 116.957 120.300 0.375 0.000 2.638 529 Y HA 0.510 5.060 4.550 0.000 0.000 0.335 529 Y C -1.720 174.377 175.900 0.327 0.000 1.155 529 Y CA -1.863 56.350 58.100 0.189 0.000 1.046 529 Y CB 0.652 39.143 38.460 0.052 0.000 1.303 529 Y HN -0.172 nan 8.280 nan 0.000 0.460 530 F N 3.594 123.602 119.950 0.096 0.000 2.496 530 F HA 0.613 5.140 4.527 0.000 0.000 0.341 530 F C -1.670 174.337 175.800 0.346 0.000 1.134 530 F CA -1.228 56.932 58.000 0.267 0.000 0.968 530 F CB 1.254 40.449 39.000 0.325 0.000 1.205 530 F HN 0.786 nan 8.300 nan 0.000 0.436 531 L N 7.596 128.745 121.223 -0.124 0.000 2.289 531 L HA 0.493 4.834 4.340 0.000 0.000 0.285 531 L C -1.954 174.689 176.870 -0.379 0.000 1.049 531 L CA -0.760 54.013 54.840 -0.112 0.000 0.804 531 L CB 1.050 43.157 42.059 0.080 0.000 1.195 531 L HN 0.737 nan 8.230 nan 0.000 0.428 532 Y N 5.728 125.881 120.300 -0.245 0.000 2.327 532 Y HA 0.435 4.985 4.550 0.000 0.000 0.325 532 Y C -1.157 174.735 175.900 -0.014 0.000 0.999 532 Y CA -0.828 57.175 58.100 -0.163 0.000 1.195 532 Y CB 1.030 39.435 38.460 -0.093 0.000 1.132 532 Y HN 0.567 nan 8.280 nan 0.000 0.455 533 K N 6.336 126.443 120.400 -0.489 0.000 2.613 533 K HA 0.220 4.540 4.320 0.000 0.000 0.248 533 K C -0.949 175.401 176.600 -0.417 0.000 0.959 533 K CA -0.533 55.542 56.287 -0.354 0.000 0.855 533 K CB 1.296 33.676 32.500 -0.201 0.000 1.143 533 K HN 0.885 nan 8.250 nan 0.000 0.437 534 E N 4.638 124.570 120.200 -0.447 0.000 2.415 534 E HA 0.065 4.415 4.350 0.000 0.000 0.262 534 E C -0.828 175.651 176.600 -0.202 0.000 1.038 534 E CA 0.115 56.289 56.400 -0.376 0.000 0.921 534 E CB 0.635 30.001 29.700 -0.556 0.000 0.950 534 E HN 0.487 nan 8.360 nan 0.000 0.438 535 L N 0.000 121.161 121.223 -0.103 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.796 54.840 -0.073 0.000 0.813 535 L CB 0.000 42.021 42.059 -0.063 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502