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_B 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 0.000 176.600 176.600 -0.001 0.000 0.988 3 K CA 0.000 56.288 56.287 0.002 0.000 0.838 3 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 4 I N 3.104 123.682 120.570 0.015 0.000 2.389 4 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 4 I C -0.655 175.484 176.117 0.036 0.000 0.999 4 I CA -0.870 60.441 61.300 0.019 0.000 1.129 4 I CB 1.763 39.769 38.000 0.010 0.000 1.288 4 I HN -0.067 nan 8.210 nan 0.000 0.444 5 K N 5.935 126.357 120.400 0.036 0.000 2.183 5 K HA 0.344 4.664 4.320 -0.000 0.000 0.274 5 K C -0.569 176.053 176.600 0.037 0.000 1.009 5 K CA -0.300 56.012 56.287 0.042 0.000 0.888 5 K CB 0.722 33.249 32.500 0.045 0.000 1.078 5 K HN 0.391 nan 8.250 nan 0.000 0.459 6 N N 4.279 123.002 118.700 0.038 0.000 2.509 6 N HA 0.405 5.144 4.740 -0.000 0.000 0.287 6 N C -2.517 173.011 175.510 0.031 0.000 1.121 6 N CA -1.753 51.309 53.050 0.019 0.000 0.977 6 N CB 1.092 39.599 38.487 0.032 0.000 1.167 6 N HN 0.475 nan 8.380 nan 0.000 0.476 7 P HA 0.237 nan 4.420 nan 0.000 0.278 7 P C 0.848 178.082 177.300 -0.109 0.000 1.238 7 P CA -0.344 62.711 63.100 -0.075 0.000 0.794 7 P CB 0.670 32.318 31.700 -0.086 0.000 0.955 8 I N -0.774 119.689 120.570 -0.178 0.000 2.716 8 I HA 0.104 4.274 4.170 -0.000 0.000 0.259 8 I C 0.203 176.100 176.117 -0.367 0.000 1.172 8 I CA 0.982 62.166 61.300 -0.192 0.000 1.478 8 I CB -0.320 37.571 38.000 -0.181 0.000 1.104 8 I HN 0.061 nan 8.210 nan 0.000 0.439 9 L N 1.354 122.267 121.223 -0.516 0.000 2.349 9 L HA 0.513 4.853 4.340 -0.000 0.000 0.278 9 L C -0.434 176.144 176.870 -0.487 0.000 0.996 9 L CA -0.256 54.120 54.840 -0.774 0.000 0.825 9 L CB 1.870 43.163 42.059 -1.275 0.000 1.243 9 L HN -0.040 nan 8.230 nan 0.000 0.412 10 T N 1.657 115.992 114.554 -0.365 0.000 2.888 10 T HA 0.733 5.082 4.350 -0.000 0.000 0.284 10 T C 0.231 174.892 174.700 -0.065 0.000 1.017 10 T CA 0.674 62.659 62.100 -0.192 0.000 1.022 10 T CB 1.772 70.487 68.868 -0.255 0.000 1.013 10 T HN 0.971 nan 8.240 nan 0.000 0.465 11 G N 2.514 111.259 108.800 -0.092 0.000 2.804 11 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.230 11 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.230 11 G C -0.243 174.661 174.900 0.007 0.000 1.386 11 G CA -0.318 44.737 45.100 -0.074 0.000 0.875 11 G HN 0.947 nan 8.290 nan 0.000 0.557 12 F N 2.260 122.046 119.950 -0.273 0.000 2.390 12 F HA 0.344 4.871 4.527 -0.000 0.000 0.339 12 F C 0.792 176.309 175.800 -0.471 0.000 1.161 12 F CA 0.591 58.430 58.000 -0.269 0.000 0.940 12 F CB -0.841 38.008 39.000 -0.253 0.000 1.022 12 F HN 0.530 nan 8.300 nan 0.000 0.572 13 H N 5.148 124.094 119.070 -0.206 0.000 2.696 13 H HA 0.291 4.847 4.556 -0.000 0.000 0.221 13 H C -2.608 172.626 175.328 -0.157 0.000 1.399 13 H CA -1.327 54.534 56.048 -0.312 0.000 1.408 13 H CB 0.459 30.024 29.762 -0.328 0.000 1.853 13 H HN 0.325 nan 8.280 nan 0.000 0.546 14 P HA 0.159 nan 4.420 nan 0.000 0.281 14 P C -0.286 177.026 177.300 0.019 0.000 1.281 14 P CA -0.409 62.739 63.100 0.080 0.000 0.811 14 P CB 0.853 32.675 31.700 0.203 0.000 1.154 15 D N -2.286 118.103 120.400 -0.018 0.000 2.737 15 D HA -0.106 4.534 4.640 -0.000 0.000 0.238 15 D C -2.028 174.321 176.300 0.082 0.000 1.157 15 D CA 0.391 54.323 54.000 -0.113 0.000 0.694 15 D CB -1.682 38.946 40.800 -0.286 0.000 1.021 15 D HN 0.355 nan 8.370 nan 0.000 0.420 16 P HA 0.076 nan 4.420 nan 0.000 0.271 16 P C -0.221 177.194 177.300 0.192 0.000 1.226 16 P CA 0.089 63.240 63.100 0.085 0.000 0.765 16 P CB 1.370 33.068 31.700 -0.004 0.000 0.835 17 S N 4.333 120.138 115.700 0.177 0.000 2.594 17 S HA 0.420 4.890 4.470 -0.000 0.000 0.322 17 S C -0.279 174.432 174.600 0.185 0.000 1.085 17 S CA -0.895 57.432 58.200 0.212 0.000 1.116 17 S CB -0.329 63.018 63.200 0.245 0.000 0.979 17 S HN 0.416 nan 8.310 nan 0.000 0.465 18 I N 4.702 125.400 120.570 0.213 0.000 2.440 18 I HA 0.586 4.756 4.170 -0.000 0.000 0.294 18 I C -0.573 175.742 176.117 0.330 0.000 0.995 18 I CA -0.455 61.010 61.300 0.276 0.000 1.306 18 I CB 0.972 39.142 38.000 0.284 0.000 1.407 18 I HN 0.778 nan 8.210 nan 0.000 0.501 19 C N 8.147 127.691 119.300 0.407 0.000 2.551 19 C HA 0.500 4.959 4.460 -0.000 0.000 0.332 19 C C -0.448 174.797 174.990 0.425 0.000 1.139 19 C CA -0.681 58.588 59.018 0.417 0.000 1.328 19 C CB 1.208 29.212 27.740 0.441 0.000 1.903 19 C HN 0.957 nan 8.230 nan 0.000 0.459 20 R N 4.333 124.997 120.500 0.274 0.000 2.312 20 R HA 0.754 5.094 4.340 -0.000 0.000 0.311 20 R C -1.485 174.810 176.300 -0.008 0.000 1.004 20 R CA -0.295 55.809 56.100 0.006 0.000 0.902 20 R CB 1.202 31.466 30.300 -0.060 0.000 1.073 20 R HN 0.654 nan 8.270 nan 0.000 0.457 21 V N 5.576 125.419 119.914 -0.117 0.000 2.380 21 V HA 0.393 4.513 4.120 -0.000 0.000 0.272 21 V C 0.877 176.820 176.094 -0.251 0.000 1.011 21 V CA 0.151 62.300 62.300 -0.253 0.000 0.826 21 V CB 0.456 32.012 31.823 -0.445 0.000 1.040 21 V HN 1.194 nan 8.190 nan 0.000 0.441 22 G N 4.990 113.654 108.800 -0.228 0.000 2.595 22 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.297 22 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.297 22 G C 0.412 175.121 174.900 -0.318 0.000 1.181 22 G CA 0.660 45.630 45.100 -0.216 0.000 0.963 22 G HN 0.955 nan 8.290 nan 0.000 0.541 23 D N 1.261 121.440 120.400 -0.368 0.000 2.462 23 D HA 0.278 4.917 4.640 -0.000 0.000 0.221 23 D C -0.395 175.747 176.300 -0.263 0.000 1.173 23 D CA 0.102 53.834 54.000 -0.446 0.000 0.831 23 D CB 0.040 40.424 40.800 -0.693 0.000 1.001 23 D HN 0.367 nan 8.370 nan 0.000 0.499 24 D N 0.602 120.807 120.400 -0.325 0.000 2.193 24 D HA 0.232 4.872 4.640 -0.000 0.000 0.244 24 D C -0.639 175.331 176.300 -0.551 0.000 1.064 24 D CA -0.212 53.647 54.000 -0.235 0.000 0.845 24 D CB 1.231 42.043 40.800 0.020 0.000 1.148 24 D HN 0.114 nan 8.370 nan 0.000 0.464 25 Y N 0.986 121.032 120.300 -0.424 0.000 2.446 25 Y HA 0.410 4.960 4.550 -0.000 0.000 0.345 25 Y C -0.557 175.178 175.900 -0.275 0.000 0.984 25 Y CA -0.910 57.069 58.100 -0.202 0.000 1.058 25 Y CB 1.560 39.967 38.460 -0.089 0.000 1.220 25 Y HN 0.247 nan 8.280 nan 0.000 0.455 26 Y N 2.790 123.394 120.300 0.507 0.000 2.406 26 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 26 Y C -0.704 175.425 175.900 0.382 0.000 0.975 26 Y CA -0.984 57.390 58.100 0.457 0.000 1.056 26 Y CB 1.766 40.413 38.460 0.312 0.000 1.210 26 Y HN 0.371 nan 8.280 nan 0.000 0.448 27 I N 3.012 123.835 120.570 0.423 0.000 2.406 27 I HA 0.674 4.843 4.170 -0.000 0.000 0.290 27 I C -0.467 175.748 176.117 0.163 0.000 0.999 27 I CA -0.824 60.566 61.300 0.151 0.000 1.124 27 I CB 1.621 39.480 38.000 -0.236 0.000 1.289 27 I HN 0.720 nan 8.210 nan 0.000 0.441 28 A N 6.674 129.569 122.820 0.125 0.000 2.305 28 A HA 0.835 5.154 4.320 -0.000 0.000 0.322 28 A C -0.442 177.175 177.584 0.054 0.000 1.187 28 A CA -0.489 51.593 52.037 0.075 0.000 0.825 28 A CB 1.219 20.245 19.000 0.043 0.000 1.164 28 A HN 0.589 nan 8.150 nan 0.000 0.498 29 V N 0.343 120.271 119.914 0.025 0.000 3.001 29 V HA 0.856 4.975 4.120 -0.000 0.000 0.314 29 V C 0.144 176.192 176.094 -0.076 0.000 1.099 29 V CA -0.385 61.906 62.300 -0.015 0.000 0.989 29 V CB 1.358 33.171 31.823 -0.018 0.000 1.040 29 V HN 1.164 nan 8.190 nan 0.000 0.434 30 S N 1.186 116.831 115.700 -0.091 0.000 2.592 30 S HA 0.495 4.965 4.470 -0.000 0.000 0.271 30 S C 0.734 175.262 174.600 -0.119 0.000 1.326 30 S CA 0.239 58.344 58.200 -0.158 0.000 1.024 30 S CB 1.038 64.072 63.200 -0.276 0.000 0.921 30 S HN 1.490 nan 8.310 nan 0.000 0.527 31 T N -2.406 112.127 114.554 -0.036 0.000 3.041 31 T HA 0.329 4.679 4.350 -0.000 0.000 0.276 31 T C 0.497 175.582 174.700 0.641 0.000 0.948 31 T CA -0.228 62.046 62.100 0.291 0.000 0.885 31 T CB -0.827 68.107 68.868 0.110 0.000 1.175 31 T HN 0.535 nan 8.240 nan 0.000 0.529 32 F N 2.729 122.902 119.950 0.371 0.000 2.756 32 F HA -0.352 4.175 4.527 -0.000 0.000 0.240 32 F C 1.892 177.832 175.800 0.234 0.000 1.487 32 F CA 1.978 60.175 58.000 0.329 0.000 1.859 32 F CB -1.102 38.076 39.000 0.297 0.000 1.319 32 F HN 0.327 nan 8.300 nan 0.000 0.230 33 E N 0.610 121.002 120.200 0.320 0.000 2.481 33 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 33 E C 0.010 176.557 176.600 -0.088 0.000 1.047 33 E CA 0.563 56.978 56.400 0.025 0.000 0.867 33 E CB -0.372 29.233 29.700 -0.159 0.000 0.858 33 E HN 0.508 nan 8.360 nan 0.000 0.513 34 W N 1.085 122.466 121.300 0.135 0.000 2.272 34 W HA 0.370 5.030 4.660 -0.000 0.000 0.318 34 W C -0.196 176.400 176.519 0.128 0.000 1.255 34 W CA -0.673 56.721 57.345 0.082 0.000 1.200 34 W CB 0.403 29.924 29.460 0.102 0.000 1.170 34 W HN -0.107 nan 8.180 nan 0.000 0.549 35 F N 6.169 126.236 119.950 0.195 0.000 2.508 35 F HA 0.537 5.063 4.527 -0.000 0.000 0.325 35 F C -1.832 174.014 175.800 0.076 0.000 1.090 35 F CA -3.035 55.012 58.000 0.078 0.000 0.945 35 F CB 1.290 40.293 39.000 0.006 0.000 1.156 35 F HN 0.082 nan 8.300 nan 0.000 0.463 36 P HA 0.194 nan 4.420 nan 0.000 0.272 36 P C -0.570 176.383 177.300 -0.578 0.000 1.240 36 P CA -0.224 62.136 63.100 -1.233 0.000 0.791 36 P CB 0.609 31.793 31.700 -0.860 0.000 0.978 37 G N -0.139 108.313 108.800 -0.581 0.000 2.415 37 G HA2 0.470 4.430 3.960 -0.000 0.000 0.269 37 G HA3 0.470 4.430 3.960 -0.000 0.000 0.269 37 G C -0.644 174.040 174.900 -0.359 0.000 1.209 37 G CA -0.441 44.460 45.100 -0.332 0.000 0.835 37 G HN 0.454 nan 8.290 nan 0.000 0.534 38 V N 1.189 120.948 119.914 -0.257 0.000 3.478 38 V HA -0.175 3.944 4.120 -0.000 0.000 0.498 38 V C -0.510 175.438 176.094 -0.243 0.000 0.682 38 V CA 0.098 62.250 62.300 -0.247 0.000 2.047 38 V CB -0.771 30.861 31.823 -0.318 0.000 2.481 38 V HN 1.073 nan 8.190 nan 0.000 0.507 39 R N 4.834 125.232 120.500 -0.169 0.000 2.338 39 R HA 0.744 5.084 4.340 -0.000 0.000 0.317 39 R C -0.561 175.678 176.300 -0.101 0.000 0.968 39 R CA -0.605 55.394 56.100 -0.168 0.000 0.849 39 R CB 1.489 31.767 30.300 -0.037 0.000 1.128 39 R HN 0.724 nan 8.270 nan 0.000 0.448 40 I N 3.653 124.105 120.570 -0.197 0.000 2.362 40 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 40 I C -0.618 175.430 176.117 -0.115 0.000 0.994 40 I CA -0.965 60.304 61.300 -0.052 0.000 1.158 40 I CB 0.956 38.929 38.000 -0.046 0.000 1.315 40 I HN 0.344 nan 8.210 nan 0.000 0.451 41 Y N 4.473 124.836 120.300 0.105 0.000 2.420 41 Y HA 0.421 4.971 4.550 -0.000 0.000 0.334 41 Y C 0.251 176.413 175.900 0.438 0.000 1.094 41 Y CA -0.439 57.781 58.100 0.200 0.000 1.126 41 Y CB 1.166 39.708 38.460 0.136 0.000 1.217 41 Y HN 0.476 nan 8.280 nan 0.000 0.462 42 H N 0.952 120.213 119.070 0.319 0.000 2.569 42 H HA 0.700 5.256 4.556 -0.000 0.000 0.357 42 H C -1.402 173.829 175.328 -0.162 0.000 1.153 42 H CA -0.365 55.689 56.048 0.010 0.000 1.193 42 H CB 2.222 31.860 29.762 -0.207 0.000 1.602 42 H HN 0.658 nan 8.280 nan 0.000 0.523 43 S N 2.225 117.221 115.700 -1.173 0.000 2.547 43 S HA 0.276 4.746 4.470 -0.000 0.000 0.270 43 S C -0.193 173.974 174.600 -0.723 0.000 1.150 43 S CA -0.742 56.852 58.200 -1.010 0.000 0.850 43 S CB 1.505 63.508 63.200 -1.995 0.000 1.118 43 S HN 0.715 nan 8.310 nan 0.000 0.461 44 K N 1.362 121.561 120.400 -0.334 0.000 2.348 44 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 44 K C 0.231 176.719 176.600 -0.187 0.000 1.052 44 K CA 0.808 57.014 56.287 -0.135 0.000 1.004 44 K CB 0.081 32.540 32.500 -0.069 0.000 0.873 44 K HN 0.781 nan 8.250 nan 0.000 0.523 45 D N -0.613 119.563 120.400 -0.373 0.000 2.500 45 D HA 0.102 4.742 4.640 -0.000 0.000 0.217 45 D C 0.877 176.891 176.300 -0.476 0.000 1.159 45 D CA -0.250 53.532 54.000 -0.363 0.000 0.828 45 D CB 0.044 40.672 40.800 -0.288 0.000 1.039 45 D HN 0.003 nan 8.370 nan 0.000 0.512 46 L N -1.192 119.644 121.223 -0.645 0.000 5.081 46 L HA -0.348 3.992 4.340 -0.000 0.000 0.423 46 L C 1.665 178.459 176.870 -0.126 0.000 1.019 46 L CA 1.592 56.166 54.840 -0.443 0.000 1.223 46 L CB -1.195 40.576 42.059 -0.480 0.000 1.940 46 L HN 0.250 nan 8.230 nan 0.000 0.675 47 K N 0.519 120.755 120.400 -0.274 0.000 2.161 47 K HA 0.095 4.415 4.320 -0.000 0.000 0.205 47 K C 0.692 177.265 176.600 -0.045 0.000 1.035 47 K CA 0.418 56.659 56.287 -0.078 0.000 0.970 47 K CB 0.358 32.788 32.500 -0.116 0.000 0.866 47 K HN 0.242 nan 8.250 nan 0.000 0.461 48 N N 0.575 119.134 118.700 -0.234 0.000 2.426 48 N HA 0.109 4.849 4.740 -0.000 0.000 0.275 48 N C -1.503 173.995 175.510 -0.019 0.000 1.019 48 N CA -0.068 52.958 53.050 -0.041 0.000 0.941 48 N CB 0.823 39.210 38.487 -0.168 0.000 1.123 48 N HN 0.137 nan 8.380 nan 0.000 0.486 49 W N 1.503 122.996 121.300 0.322 0.000 2.785 49 W HA 0.414 5.073 4.660 -0.000 0.000 0.333 49 W C 0.293 176.922 176.519 0.183 0.000 1.062 49 W CA -0.976 56.495 57.345 0.209 0.000 1.233 49 W CB 1.533 31.014 29.460 0.034 0.000 1.413 49 W HN 0.340 nan 8.180 nan 0.000 0.489 50 R N 2.321 122.902 120.500 0.135 0.000 2.621 50 R HA 0.755 5.095 4.340 -0.000 0.000 0.292 50 R C -1.377 174.892 176.300 -0.052 0.000 0.969 50 R CA -1.144 54.961 56.100 0.008 0.000 0.887 50 R CB 1.576 31.634 30.300 -0.404 0.000 1.180 50 R HN 0.512 nan 8.270 nan 0.000 0.450 51 L N 4.022 125.092 121.223 -0.255 0.000 2.513 51 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 51 L C 0.562 177.209 176.870 -0.371 0.000 1.187 51 L CA 0.574 54.980 54.840 -0.723 0.000 0.895 51 L CB 1.541 42.985 42.059 -1.026 0.000 1.147 51 L HN 0.795 nan 8.230 nan 0.000 0.483 52 V N 1.825 121.559 119.914 -0.301 0.000 3.539 52 V HA 0.741 4.861 4.120 -0.000 0.000 0.262 52 V C 0.438 176.452 176.094 -0.133 0.000 1.381 52 V CA 0.457 62.664 62.300 -0.156 0.000 1.060 52 V CB -0.201 31.571 31.823 -0.086 0.000 0.842 52 V HN 0.894 nan 8.190 nan 0.000 0.445 53 A N 0.588 123.299 122.820 -0.183 0.000 2.549 53 A HA 0.877 5.197 4.320 -0.000 0.000 0.297 53 A C -0.637 176.806 177.584 -0.235 0.000 1.061 53 A CA -0.830 51.117 52.037 -0.150 0.000 0.690 53 A CB 1.530 20.487 19.000 -0.072 0.000 1.287 53 A HN 0.314 nan 8.150 nan 0.000 0.402 54 R N 2.377 122.743 120.500 -0.223 0.000 2.564 54 R HA 0.297 4.637 4.340 -0.000 0.000 0.282 54 R C -2.322 173.773 176.300 -0.342 0.000 1.573 54 R CA -1.478 54.447 56.100 -0.291 0.000 1.588 54 R CB 1.211 31.355 30.300 -0.260 0.000 1.154 54 R HN 0.428 nan 8.270 nan 0.000 0.606 55 P HA -0.143 nan 4.420 nan 0.000 0.217 55 P C 0.089 177.072 177.300 -0.529 0.000 1.150 55 P CA 1.041 63.708 63.100 -0.723 0.000 0.832 55 P CB 0.316 31.126 31.700 -1.482 0.000 0.787 56 L N 0.723 121.617 121.223 -0.549 0.000 2.399 56 L HA 0.197 4.537 4.340 -0.000 0.000 0.257 56 L C 0.662 177.256 176.870 -0.460 0.000 1.236 56 L CA -0.141 54.410 54.840 -0.480 0.000 1.144 56 L CB -0.733 40.966 42.059 -0.601 0.000 1.379 56 L HN 0.064 nan 8.230 nan 0.000 0.414 57 N N 0.078 118.610 118.700 -0.280 0.000 2.171 57 N HA 0.082 4.822 4.740 -0.000 0.000 0.212 57 N C 0.323 175.922 175.510 0.148 0.000 1.184 57 N CA -0.378 52.545 53.050 -0.211 0.000 0.888 57 N CB 0.542 38.929 38.487 -0.166 0.000 1.038 57 N HN 0.289 nan 8.380 nan 0.000 0.517 58 R N 0.208 120.779 120.500 0.120 0.000 2.589 58 R HA 0.398 4.738 4.340 -0.000 0.000 0.293 58 R C 0.665 177.056 176.300 0.152 0.000 0.963 58 R CA -0.680 55.505 56.100 0.141 0.000 0.905 58 R CB 1.622 31.965 30.300 0.072 0.000 1.144 58 R HN 0.049 nan 8.270 nan 0.000 0.459 59 L N 1.228 122.511 121.223 0.101 0.000 2.261 59 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 59 L C 2.216 179.102 176.870 0.027 0.000 1.114 59 L CA 1.519 56.382 54.840 0.038 0.000 0.777 59 L CB -0.358 41.688 42.059 -0.023 0.000 0.910 59 L HN 0.744 nan 8.230 nan 0.000 0.440 60 S N -0.969 114.749 115.700 0.029 0.000 2.423 60 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 60 S C 1.781 176.384 174.600 0.006 0.000 1.014 60 S CA 0.780 58.990 58.200 0.016 0.000 0.965 60 S CB -0.126 63.089 63.200 0.026 0.000 0.785 60 S HN 0.530 nan 8.310 nan 0.000 0.495 61 Q N -0.281 119.534 119.800 0.026 0.000 2.297 61 Q HA 0.436 4.776 4.340 -0.000 0.000 0.203 61 Q C -0.502 175.510 176.000 0.020 0.000 0.931 61 Q CA 0.376 56.193 55.803 0.025 0.000 0.885 61 Q CB 0.282 29.016 28.738 -0.006 0.000 0.991 61 Q HN 0.462 nan 8.270 nan 0.000 0.498 62 L N 1.171 122.427 121.223 0.054 0.000 2.676 62 L HA 0.384 4.724 4.340 -0.000 0.000 0.262 62 L C -2.024 174.919 176.870 0.122 0.000 0.965 62 L CA -0.281 54.625 54.840 0.109 0.000 0.920 62 L CB 1.872 44.002 42.059 0.118 0.000 1.260 62 L HN -0.107 nan 8.230 nan 0.000 0.422 63 N N 5.633 124.370 118.700 0.060 0.000 2.626 63 N HA 0.400 5.140 4.740 -0.000 0.000 0.249 63 N C -0.288 175.228 175.510 0.009 0.000 1.021 63 N CA -0.231 52.821 53.050 0.004 0.000 0.886 63 N CB 1.020 39.506 38.487 -0.001 0.000 1.149 63 N HN 0.749 nan 8.380 nan 0.000 0.517 64 M N 2.533 122.119 119.600 -0.023 0.000 2.356 64 M HA 0.269 4.749 4.480 -0.000 0.000 0.262 64 M C 0.645 176.892 176.300 -0.089 0.000 1.097 64 M CA -0.483 54.805 55.300 -0.020 0.000 0.991 64 M CB 0.539 33.156 32.600 0.028 0.000 1.450 64 M HN 0.407 nan 8.290 nan 0.000 0.495 65 I N 1.187 121.696 120.570 -0.102 0.000 2.752 65 I HA 0.003 4.173 4.170 -0.000 0.000 0.289 65 I C 1.290 177.288 176.117 -0.198 0.000 1.197 65 I CA 1.514 62.736 61.300 -0.129 0.000 1.432 65 I CB 0.471 38.453 38.000 -0.030 0.000 1.359 65 I HN 0.658 nan 8.210 nan 0.000 0.571 66 G N 4.154 112.638 108.800 -0.527 0.000 2.205 66 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 66 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 66 G C 0.329 175.003 174.900 -0.376 0.000 0.980 66 G CA 0.215 44.866 45.100 -0.749 0.000 0.632 66 G HN 0.658 nan 8.290 nan 0.000 0.533 67 N N 2.421 120.983 118.700 -0.229 0.000 2.407 67 N HA 0.371 5.110 4.740 -0.000 0.000 0.250 67 N C -1.721 173.725 175.510 -0.107 0.000 1.236 67 N CA -0.435 52.549 53.050 -0.110 0.000 0.879 67 N CB 0.805 39.267 38.487 -0.042 0.000 1.088 67 N HN 0.297 nan 8.380 nan 0.000 0.450 68 P HA 0.081 nan 4.420 nan 0.000 0.274 68 P C -0.826 176.483 177.300 0.015 0.000 1.237 68 P CA -0.321 62.771 63.100 -0.014 0.000 0.793 68 P CB 0.592 32.311 31.700 0.032 0.000 0.977 69 D N 0.705 121.101 120.400 -0.007 0.000 2.583 69 D HA -0.037 4.603 4.640 -0.000 0.000 0.232 69 D C 0.729 177.063 176.300 0.056 0.000 1.128 69 D CA 1.029 55.022 54.000 -0.012 0.000 0.859 69 D CB -0.279 40.501 40.800 -0.034 0.000 1.169 69 D HN 0.308 nan 8.370 nan 0.000 0.481 70 S N -0.120 115.627 115.700 0.078 0.000 3.476 70 S HA -0.137 4.333 4.470 -0.000 0.000 0.309 70 S C 0.800 175.768 174.600 0.615 0.000 1.222 70 S CA 0.756 59.075 58.200 0.198 0.000 0.922 70 S CB -1.133 62.043 63.200 -0.041 0.000 1.023 70 S HN 0.774 nan 8.310 nan 0.000 0.591 71 G N -0.150 108.941 108.800 0.486 0.000 2.641 71 G HA2 0.739 4.698 3.960 -0.000 0.000 0.239 71 G HA3 0.739 4.698 3.960 -0.000 0.000 0.239 71 G C 0.856 176.055 174.900 0.497 0.000 1.402 71 G CA 0.276 45.679 45.100 0.505 0.000 1.046 71 G HN 1.482 nan 8.290 nan 0.000 0.565 72 G N -1.850 107.103 108.800 0.254 0.000 2.531 72 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.274 72 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.274 72 G C 0.072 175.101 174.900 0.215 0.000 1.159 72 G CA 0.186 45.410 45.100 0.207 0.000 0.969 72 G HN 1.479 nan 8.290 nan 0.000 0.554 73 V N 1.736 121.736 119.914 0.144 0.000 2.381 73 V HA 0.380 4.500 4.120 -0.000 0.000 0.257 73 V C 0.680 176.616 176.094 -0.262 0.000 1.057 73 V CA 0.094 62.415 62.300 0.035 0.000 1.013 73 V CB -0.231 31.587 31.823 -0.010 0.000 1.069 73 V HN 0.466 nan 8.190 nan 0.000 0.484 74 W N 2.390 123.409 121.300 -0.468 0.000 1.779 74 W HA 0.600 5.260 4.660 -0.000 0.000 0.531 74 W C 0.954 177.277 176.519 -0.327 0.000 2.111 74 W CA -0.820 56.154 57.345 -0.618 0.000 2.396 74 W CB 0.022 29.311 29.460 -0.285 0.000 1.997 74 W HN 0.504 nan 8.180 nan 0.000 0.791 75 A N 4.055 126.938 122.820 0.105 0.000 2.561 75 A HA 0.199 4.519 4.320 -0.000 0.000 0.251 75 A C -1.982 175.738 177.584 0.226 0.000 1.062 75 A CA -0.461 51.650 52.037 0.124 0.000 0.761 75 A CB -1.332 17.790 19.000 0.202 0.000 0.986 75 A HN 0.189 nan 8.150 nan 0.000 0.510 76 P HA 0.424 nan 4.420 nan 0.000 0.283 76 P C -1.062 176.453 177.300 0.359 0.000 1.278 76 P CA -0.237 63.009 63.100 0.242 0.000 0.834 76 P CB 1.197 32.973 31.700 0.127 0.000 1.150 77 H N -0.100 119.120 119.070 0.250 0.000 2.689 77 H HA 0.598 5.154 4.556 -0.000 0.000 0.346 77 H C -1.719 173.773 175.328 0.273 0.000 1.037 77 H CA -0.744 55.472 56.048 0.280 0.000 1.234 77 H CB 0.798 30.749 29.762 0.315 0.000 1.572 77 H HN 0.191 nan 8.280 nan 0.000 0.524 78 L N 4.872 125.958 121.223 -0.229 0.000 2.313 78 L HA 0.685 5.024 4.340 -0.000 0.000 0.283 78 L C -0.919 175.890 176.870 -0.102 0.000 1.013 78 L CA -0.043 54.779 54.840 -0.031 0.000 0.816 78 L CB 1.344 43.479 42.059 0.128 0.000 1.236 78 L HN 0.830 nan 8.230 nan 0.000 0.419 79 S N 3.320 119.147 115.700 0.211 0.000 2.661 79 S HA 0.667 5.137 4.470 -0.000 0.000 0.285 79 S C -1.345 173.575 174.600 0.533 0.000 1.138 79 S CA -0.706 57.709 58.200 0.359 0.000 0.855 79 S CB 1.497 64.975 63.200 0.464 0.000 1.136 79 S HN 0.558 nan 8.310 nan 0.000 0.484 80 Y N 0.481 120.903 120.300 0.203 0.000 2.373 80 Y HA 0.710 5.260 4.550 -0.000 0.000 0.336 80 Y C -0.539 175.297 175.900 -0.107 0.000 0.979 80 Y CA 0.021 58.121 58.100 0.000 0.000 1.080 80 Y CB 1.887 40.187 38.460 -0.267 0.000 1.190 80 Y HN 1.063 nan 8.280 nan 0.000 0.446 81 S N 3.908 119.349 115.700 -0.433 0.000 2.552 81 S HA 0.339 4.809 4.470 -0.000 0.000 0.272 81 S C -1.751 172.721 174.600 -0.214 0.000 1.150 81 S CA -0.574 57.383 58.200 -0.405 0.000 0.849 81 S CB 0.832 63.523 63.200 -0.849 0.000 1.113 81 S HN 0.822 nan 8.310 nan 0.000 0.458 82 D N 2.125 122.414 120.400 -0.186 0.000 2.689 82 D HA -0.156 4.483 4.640 -0.000 0.000 0.237 82 D C 0.954 177.123 176.300 -0.218 0.000 1.148 82 D CA 2.046 55.987 54.000 -0.097 0.000 0.656 82 D CB -1.625 39.215 40.800 0.067 0.000 1.050 82 D HN 1.614 nan 8.370 nan 0.000 0.426 83 G N -0.169 108.400 108.800 -0.386 0.000 2.189 83 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 83 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 83 G C 0.303 174.905 174.900 -0.496 0.000 0.975 83 G CA 1.320 46.221 45.100 -0.333 0.000 0.644 83 G HN 0.832 nan 8.290 nan 0.000 0.537 84 K N -1.356 118.535 120.400 -0.848 0.000 2.466 84 K HA 0.783 5.103 4.320 -0.000 0.000 0.260 84 K C -0.982 175.070 176.600 -0.914 0.000 1.011 84 K CA -1.390 54.445 56.287 -0.753 0.000 0.871 84 K CB 1.232 33.327 32.500 -0.676 0.000 1.404 84 K HN -0.039 nan 8.250 nan 0.000 0.450 85 F N 0.802 120.491 119.950 -0.436 0.000 2.394 85 F HA 0.381 4.908 4.527 -0.000 0.000 0.340 85 F C -0.681 174.998 175.800 -0.201 0.000 1.105 85 F CA 0.034 57.961 58.000 -0.121 0.000 1.124 85 F CB 0.867 39.832 39.000 -0.058 0.000 1.145 85 F HN 0.384 nan 8.300 nan 0.000 0.505 86 W N 5.551 127.071 121.300 0.366 0.000 2.471 86 W HA 0.620 5.280 4.660 -0.000 0.000 0.318 86 W C -1.351 175.407 176.519 0.398 0.000 1.034 86 W CA -0.796 56.759 57.345 0.351 0.000 1.224 86 W CB 1.241 30.868 29.460 0.278 0.000 1.335 86 W HN 0.146 nan 8.180 nan 0.000 0.452 87 L N 5.905 127.487 121.223 0.598 0.000 2.343 87 L HA 0.599 4.939 4.340 -0.000 0.000 0.278 87 L C -1.022 176.073 176.870 0.376 0.000 0.996 87 L CA -0.828 54.228 54.840 0.361 0.000 0.831 87 L CB 0.537 42.607 42.059 0.019 0.000 1.232 87 L HN 0.223 nan 8.230 nan 0.000 0.413 88 I N 6.172 126.953 120.570 0.351 0.000 2.359 88 I HA 0.402 4.572 4.170 -0.000 0.000 0.294 88 I C -0.407 175.910 176.117 0.334 0.000 0.987 88 I CA -0.516 60.961 61.300 0.294 0.000 1.225 88 I CB 0.735 38.885 38.000 0.249 0.000 1.366 88 I HN 0.704 nan 8.210 nan 0.000 0.466 89 Y N 2.560 122.954 120.300 0.156 0.000 2.615 89 Y HA 0.807 5.356 4.550 -0.000 0.000 0.341 89 Y C -0.611 175.390 175.900 0.169 0.000 1.089 89 Y CA -0.988 57.197 58.100 0.141 0.000 1.049 89 Y CB 1.358 39.872 38.460 0.090 0.000 1.296 89 Y HN 0.431 nan 8.280 nan 0.000 0.470 90 T N 1.301 115.998 114.554 0.238 0.000 2.912 90 T HA 0.313 4.663 4.350 -0.000 0.000 0.288 90 T C -1.701 173.138 174.700 0.232 0.000 1.030 90 T CA -0.600 61.563 62.100 0.104 0.000 1.020 90 T CB 1.466 70.332 68.868 -0.004 0.000 1.056 90 T HN 0.665 nan 8.240 nan 0.000 0.480 91 D N 2.016 122.532 120.400 0.192 0.000 2.461 91 D HA 0.347 4.987 4.640 -0.000 0.000 0.240 91 D C -0.766 175.487 176.300 -0.078 0.000 1.094 91 D CA -0.499 53.599 54.000 0.164 0.000 0.868 91 D CB 0.713 41.711 40.800 0.329 0.000 1.062 91 D HN 0.169 nan 8.370 nan 0.000 0.530 92 V N 5.766 125.556 119.914 -0.207 0.000 2.432 92 V HA 0.185 4.305 4.120 -0.000 0.000 0.271 92 V C 1.387 177.361 176.094 -0.200 0.000 1.046 92 V CA -0.279 61.775 62.300 -0.409 0.000 0.945 92 V CB 1.435 32.685 31.823 -0.954 0.000 0.992 92 V HN 0.424 nan 8.190 nan 0.000 0.471 93 K N 3.228 123.495 120.400 -0.221 0.000 2.308 93 K HA 0.246 4.566 4.320 -0.000 0.000 0.197 93 K C 0.044 176.592 176.600 -0.086 0.000 1.049 93 K CA 0.621 56.837 56.287 -0.119 0.000 0.991 93 K CB 0.863 33.291 32.500 -0.119 0.000 0.836 93 K HN 0.453 nan 8.250 nan 0.000 0.500 94 V N 2.218 122.054 119.914 -0.131 0.000 2.444 94 V HA 0.162 4.281 4.120 -0.000 0.000 0.294 94 V C 0.533 176.594 176.094 -0.055 0.000 1.022 94 V CA -0.548 61.716 62.300 -0.061 0.000 0.850 94 V CB 1.879 33.676 31.823 -0.043 0.000 0.992 94 V HN 0.023 nan 8.190 nan 0.000 0.426 95 V N 0.825 120.777 119.914 0.064 0.000 3.398 95 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 95 V C 0.229 176.439 176.094 0.193 0.000 1.496 95 V CA 0.100 62.505 62.300 0.175 0.000 1.044 95 V CB 0.030 32.045 31.823 0.320 0.000 0.880 95 V HN 0.779 nan 8.190 nan 0.000 0.443 96 E N 0.456 120.750 120.200 0.156 0.000 2.340 96 E HA 0.668 5.017 4.350 -0.000 0.000 0.273 96 E C 0.137 176.856 176.600 0.198 0.000 0.891 96 E CA -0.150 56.352 56.400 0.169 0.000 0.757 96 E CB 2.335 32.113 29.700 0.129 0.000 1.231 96 E HN 0.570 nan 8.360 nan 0.000 0.439 97 G N 1.326 110.254 108.800 0.214 0.000 2.500 97 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 97 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 97 G C 0.275 175.326 174.900 0.252 0.000 1.283 97 G CA -0.548 44.692 45.100 0.234 0.000 0.960 97 G HN 0.425 nan 8.290 nan 0.000 0.528 98 Q N -0.823 119.077 119.800 0.165 0.000 2.297 98 Q HA 0.053 4.393 4.340 -0.000 0.000 0.204 98 Q C 0.744 176.782 176.000 0.063 0.000 0.962 98 Q CA 1.096 56.842 55.803 -0.095 0.000 0.879 98 Q CB 0.210 28.560 28.738 -0.648 0.000 0.947 98 Q HN 0.523 nan 8.270 nan 0.000 0.462 99 W N 0.395 121.921 121.300 0.376 0.000 2.578 99 W HA 0.362 5.022 4.660 -0.000 0.000 0.346 99 W C 0.434 176.863 176.519 -0.150 0.000 1.075 99 W CA -0.812 56.688 57.345 0.260 0.000 1.233 99 W CB 1.049 30.556 29.460 0.079 0.000 1.358 99 W HN -0.224 nan 8.180 nan 0.000 0.574 100 K N 1.617 121.700 120.400 -0.529 0.000 3.271 100 K HA 0.119 4.438 4.320 -0.000 0.000 0.192 100 K C -0.813 175.441 176.600 -0.576 0.000 1.108 100 K CA -0.153 55.678 56.287 -0.760 0.000 0.902 100 K CB -0.379 31.258 32.500 -1.438 0.000 0.889 100 K HN 0.130 nan 8.250 nan 0.000 0.520 101 D N 0.951 121.160 120.400 -0.318 0.000 2.520 101 D HA 0.243 4.883 4.640 -0.000 0.000 0.243 101 D C 0.384 176.419 176.300 -0.442 0.000 1.160 101 D CA 0.943 54.760 54.000 -0.305 0.000 0.877 101 D CB 1.057 41.733 40.800 -0.208 0.000 1.150 101 D HN 0.504 nan 8.370 nan 0.000 0.494 102 G N 1.575 110.053 108.800 -0.537 0.000 2.667 102 G HA2 0.390 4.350 3.960 -0.000 0.000 0.294 102 G HA3 0.390 4.350 3.960 -0.000 0.000 0.294 102 G C -1.629 172.920 174.900 -0.584 0.000 1.467 102 G CA -0.805 43.918 45.100 -0.629 0.000 0.852 102 G HN 0.397 nan 8.290 nan 0.000 0.521 103 H N 0.854 119.839 119.070 -0.142 0.000 2.538 103 H HA 0.485 5.040 4.556 -0.000 0.000 0.353 103 H C -0.518 174.474 175.328 -0.559 0.000 1.109 103 H CA -0.855 55.044 56.048 -0.247 0.000 1.192 103 H CB 1.993 31.682 29.762 -0.121 0.000 1.555 103 H HN 0.348 nan 8.280 nan 0.000 0.518 104 N N 2.103 120.464 118.700 -0.564 0.000 2.456 104 N HA 0.249 4.989 4.740 -0.000 0.000 0.288 104 N C -0.886 174.098 175.510 -0.875 0.000 1.059 104 N CA -0.255 52.440 53.050 -0.592 0.000 0.946 104 N CB 1.302 39.574 38.487 -0.358 0.000 1.150 104 N HN 0.444 nan 8.380 nan 0.000 0.479 105 Y N 0.164 120.216 120.300 -0.414 0.000 2.512 105 Y HA 0.468 5.018 4.550 -0.000 0.000 0.348 105 Y C -0.300 175.415 175.900 -0.308 0.000 0.990 105 Y CA -1.153 56.690 58.100 -0.429 0.000 1.033 105 Y CB 1.648 39.686 38.460 -0.703 0.000 1.259 105 Y HN 0.292 nan 8.280 nan 0.000 0.461 106 L N 4.451 125.717 121.223 0.072 0.000 2.307 106 L HA 0.900 5.240 4.340 -0.000 0.000 0.284 106 L C -0.927 176.117 176.870 0.289 0.000 1.023 106 L CA -0.783 54.155 54.840 0.164 0.000 0.810 106 L CB 1.270 43.364 42.059 0.058 0.000 1.231 106 L HN 0.484 nan 8.230 nan 0.000 0.423 107 V N 1.147 121.297 119.914 0.392 0.000 2.962 107 V HA 0.966 5.086 4.120 -0.000 0.000 0.313 107 V C -0.292 176.079 176.094 0.462 0.000 1.099 107 V CA 0.060 62.607 62.300 0.411 0.000 0.971 107 V CB 1.561 33.658 31.823 0.456 0.000 1.028 107 V HN 0.979 nan 8.190 nan 0.000 0.430 108 T N -0.505 114.223 114.554 0.291 0.000 2.906 108 T HA 0.798 5.147 4.350 -0.000 0.000 0.295 108 T C -0.793 173.724 174.700 -0.305 0.000 1.075 108 T CA -0.625 61.462 62.100 -0.022 0.000 1.005 108 T CB 1.565 70.212 68.868 -0.368 0.000 1.136 108 T HN 1.506 nan 8.240 nan 0.000 0.498 109 C N 1.314 120.167 119.300 -0.745 0.000 3.090 109 C HA 0.508 4.968 4.460 -0.000 0.000 0.347 109 C C 0.545 175.215 174.990 -0.533 0.000 1.147 109 C CA -0.491 58.006 59.018 -0.869 0.000 1.305 109 C CB 1.161 27.821 27.740 -1.801 0.000 1.692 109 C HN 1.050 nan 8.230 nan 0.000 0.506 110 D N 1.055 121.244 120.400 -0.352 0.000 2.178 110 D HA 0.063 4.703 4.640 -0.000 0.000 0.202 110 D C 0.899 177.182 176.300 -0.029 0.000 0.974 110 D CA 1.489 55.377 54.000 -0.188 0.000 0.841 110 D CB 0.272 40.978 40.800 -0.156 0.000 0.953 110 D HN 0.642 nan 8.370 nan 0.000 0.478 111 T N -0.873 113.613 114.554 -0.114 0.000 2.924 111 T HA 0.279 4.628 4.350 -0.000 0.000 0.291 111 T C 0.977 175.508 174.700 -0.282 0.000 1.045 111 T CA -0.783 61.296 62.100 -0.034 0.000 1.015 111 T CB 1.486 70.307 68.868 -0.078 0.000 1.103 111 T HN -0.257 nan 8.240 nan 0.000 0.496 112 I N 2.073 122.400 120.570 -0.405 0.000 2.335 112 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 112 I C 1.171 177.202 176.117 -0.143 0.000 1.129 112 I CA 1.845 62.743 61.300 -0.670 0.000 1.402 112 I CB 0.052 37.557 38.000 -0.826 0.000 1.069 112 I HN 0.775 nan 8.210 nan 0.000 0.424 113 D N -1.346 118.986 120.400 -0.113 0.000 2.462 113 D HA 0.242 4.882 4.640 -0.000 0.000 0.221 113 D C 0.884 177.177 176.300 -0.011 0.000 1.173 113 D CA 0.072 54.068 54.000 -0.007 0.000 0.831 113 D CB -0.722 40.049 40.800 -0.049 0.000 1.001 113 D HN 0.232 nan 8.370 nan 0.000 0.499 114 G N 0.026 108.761 108.800 -0.108 0.000 2.510 114 G HA2 0.501 4.460 3.960 -0.000 0.000 0.280 114 G HA3 0.501 4.460 3.960 -0.000 0.000 0.280 114 G C -0.279 174.595 174.900 -0.044 0.000 1.386 114 G CA -0.590 44.439 45.100 -0.117 0.000 1.047 114 G HN 0.293 nan 8.290 nan 0.000 0.527 115 A N -0.714 122.072 122.820 -0.056 0.000 2.410 115 A HA 0.459 4.779 4.320 -0.000 0.000 0.292 115 A C -0.525 177.046 177.584 -0.022 0.000 1.232 115 A CA -0.458 51.589 52.037 0.016 0.000 0.893 115 A CB -0.467 18.533 19.000 -0.000 0.000 1.131 115 A HN 0.422 nan 8.150 nan 0.000 0.530 116 W N 2.318 123.581 121.300 -0.060 0.000 2.137 116 W HA 0.338 4.998 4.660 -0.000 0.000 0.344 116 W C 1.304 177.807 176.519 -0.026 0.000 1.286 116 W CA 0.691 58.005 57.345 -0.050 0.000 1.240 116 W CB 0.578 30.001 29.460 -0.061 0.000 1.141 116 W HN 0.840 nan 8.180 nan 0.000 0.579 117 S N 0.956 116.764 115.700 0.180 0.000 2.606 117 S HA 0.078 4.547 4.470 -0.000 0.000 0.257 117 S C -0.124 174.570 174.600 0.157 0.000 1.327 117 S CA -0.754 57.518 58.200 0.119 0.000 0.984 117 S CB 0.540 63.791 63.200 0.086 0.000 0.941 117 S HN 0.395 nan 8.310 nan 0.000 0.576 118 D N 2.218 122.688 120.400 0.117 0.000 2.362 118 D HA 0.373 5.013 4.640 -0.000 0.000 0.242 118 D C -2.127 174.266 176.300 0.156 0.000 1.132 118 D CA -1.133 52.937 54.000 0.117 0.000 0.907 118 D CB 0.288 41.137 40.800 0.083 0.000 1.195 118 D HN 0.417 nan 8.370 nan 0.000 0.429 119 P HA 0.130 nan 4.420 nan 0.000 0.276 119 P C -0.467 176.974 177.300 0.236 0.000 1.230 119 P CA -0.353 62.871 63.100 0.207 0.000 0.776 119 P CB 0.675 32.424 31.700 0.081 0.000 0.888 120 I N 4.157 124.884 120.570 0.262 0.000 2.312 120 I HA 0.128 4.297 4.170 -0.000 0.000 0.291 120 I C 0.592 176.891 176.117 0.304 0.000 1.031 120 I CA -1.175 60.291 61.300 0.277 0.000 1.293 120 I CB -0.670 37.500 38.000 0.283 0.000 1.403 120 I HN 0.419 nan 8.210 nan 0.000 0.484 121 Y N 7.132 127.567 120.300 0.225 0.000 2.610 121 Y HA 0.079 4.629 4.550 -0.000 0.000 0.332 121 Y C 0.355 176.280 175.900 0.042 0.000 1.201 121 Y CA 0.613 58.780 58.100 0.112 0.000 1.465 121 Y CB 0.834 39.346 38.460 0.086 0.000 1.283 121 Y HN 0.547 nan 8.280 nan 0.000 0.563 122 L N 3.553 124.265 121.223 -0.852 0.000 2.670 122 L HA 0.261 4.601 4.340 -0.000 0.000 0.177 122 L C -0.049 176.381 176.870 -0.733 0.000 1.181 122 L CA 0.116 54.623 54.840 -0.555 0.000 0.856 122 L CB -0.150 41.705 42.059 -0.341 0.000 1.205 122 L HN 0.749 nan 8.230 nan 0.000 0.506 123 N N -2.858 115.332 118.700 -0.850 0.000 3.526 123 N HA 0.197 4.937 4.740 -0.000 0.000 0.328 123 N C -0.544 174.776 175.510 -0.317 0.000 1.601 123 N CA -0.379 52.371 53.050 -0.500 0.000 0.834 123 N CB 1.354 39.730 38.487 -0.184 0.000 1.983 123 N HN -0.186 nan 8.380 nan 0.000 0.579 124 S N -1.298 114.358 115.700 -0.074 0.000 2.904 124 S HA 0.088 4.558 4.470 -0.000 0.000 0.260 124 S C 0.619 175.154 174.600 -0.107 0.000 1.000 124 S CA 0.142 58.334 58.200 -0.013 0.000 1.274 124 S CB -0.357 62.961 63.200 0.197 0.000 1.196 124 S HN 0.702 nan 8.310 nan 0.000 0.678 125 S N 1.623 117.236 115.700 -0.145 0.000 2.595 125 S HA 0.408 4.878 4.470 -0.000 0.000 0.235 125 S C 0.982 175.368 174.600 -0.357 0.000 0.974 125 S CA 0.544 58.563 58.200 -0.303 0.000 0.942 125 S CB -0.141 62.931 63.200 -0.214 0.000 0.766 125 S HN 0.895 nan 8.310 nan 0.000 0.536 126 G N 0.590 109.245 108.800 -0.242 0.000 2.307 126 G HA2 0.320 4.280 3.960 -0.000 0.000 0.348 126 G HA3 0.320 4.280 3.960 -0.000 0.000 0.348 126 G C -0.516 174.224 174.900 -0.266 0.000 1.603 126 G CA -0.688 44.235 45.100 -0.295 0.000 0.961 126 G HN 0.487 nan 8.290 nan 0.000 0.686 127 F N 0.195 120.057 119.950 -0.148 0.000 2.313 127 F HA 0.601 5.128 4.527 -0.000 0.000 0.288 127 F C 0.849 176.686 175.800 0.062 0.000 1.274 127 F CA 0.200 58.149 58.000 -0.084 0.000 1.241 127 F CB 0.125 39.038 39.000 -0.146 0.000 1.409 127 F HN 0.509 nan 8.300 nan 0.000 0.511 128 D N -0.939 119.716 120.400 0.426 0.000 2.705 128 D HA -0.119 4.521 4.640 -0.000 0.000 0.240 128 D C -2.507 173.870 176.300 0.128 0.000 1.137 128 D CA 0.485 54.678 54.000 0.322 0.000 0.677 128 D CB -1.770 39.244 40.800 0.357 0.000 1.049 128 D HN 0.388 nan 8.370 nan 0.000 0.427 129 P HA 0.237 nan 4.420 nan 0.000 0.275 129 P C -0.316 177.020 177.300 0.059 0.000 1.228 129 P CA -0.038 63.086 63.100 0.040 0.000 0.786 129 P CB 1.667 33.376 31.700 0.014 0.000 0.927 130 S N 2.443 118.114 115.700 -0.049 0.000 2.614 130 S HA 0.422 4.892 4.470 -0.000 0.000 0.275 130 S C -1.370 173.114 174.600 -0.194 0.000 1.161 130 S CA -0.694 57.347 58.200 -0.264 0.000 0.969 130 S CB 0.430 63.444 63.200 -0.310 0.000 1.059 130 S HN 0.278 nan 8.310 nan 0.000 0.482 131 L N 5.506 126.688 121.223 -0.069 0.000 2.265 131 L HA 0.678 5.018 4.340 -0.000 0.000 0.288 131 L C -0.940 175.872 176.870 -0.097 0.000 1.058 131 L CA -0.291 54.512 54.840 -0.062 0.000 0.809 131 L CB 0.644 42.651 42.059 -0.086 0.000 1.179 131 L HN 0.695 nan 8.230 nan 0.000 0.429 132 F N 4.790 124.567 119.950 -0.288 0.000 2.443 132 F HA 0.462 4.988 4.527 -0.000 0.000 0.335 132 F C -0.365 175.239 175.800 -0.326 0.000 1.104 132 F CA -0.394 57.491 58.000 -0.191 0.000 1.013 132 F CB 0.709 39.710 39.000 0.002 0.000 1.136 132 F HN 0.472 nan 8.300 nan 0.000 0.470 133 H N 4.622 123.246 119.070 -0.742 0.000 2.691 133 H HA 0.166 4.722 4.556 -0.000 0.000 0.281 133 H C -0.668 174.119 175.328 -0.902 0.000 1.121 133 H CA -0.686 54.973 56.048 -0.648 0.000 1.254 133 H CB 0.712 30.256 29.762 -0.362 0.000 1.390 133 H HN 0.564 nan 8.280 nan 0.000 0.491 134 D N 1.925 121.927 120.400 -0.664 0.000 2.372 134 D HA -0.031 4.608 4.640 -0.000 0.000 0.243 134 D C 1.214 177.486 176.300 -0.048 0.000 1.121 134 D CA -0.010 53.833 54.000 -0.261 0.000 0.898 134 D CB 1.151 42.149 40.800 0.329 0.000 1.202 134 D HN 0.472 nan 8.370 nan 0.000 0.428 135 E N 1.200 121.431 120.200 0.052 0.000 2.267 135 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 135 E C 0.326 176.959 176.600 0.055 0.000 0.998 135 E CA 0.934 57.367 56.400 0.056 0.000 0.830 135 E CB 0.006 29.750 29.700 0.074 0.000 0.751 135 E HN 0.501 nan 8.360 nan 0.000 0.491 136 D N -0.983 119.466 120.400 0.082 0.000 2.561 136 D HA 0.195 4.835 4.640 -0.000 0.000 0.232 136 D C 0.998 177.325 176.300 0.045 0.000 1.198 136 D CA 0.250 54.294 54.000 0.074 0.000 0.826 136 D CB 0.134 40.999 40.800 0.109 0.000 0.992 136 D HN 0.080 nan 8.370 nan 0.000 0.490 137 G N 0.490 109.298 108.800 0.013 0.000 2.168 137 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 137 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 137 G C 0.190 175.057 174.900 -0.054 0.000 0.997 137 G CA -0.081 45.008 45.100 -0.018 0.000 0.708 137 G HN 0.440 nan 8.290 nan 0.000 0.520 138 R N -0.161 120.294 120.500 -0.075 0.000 2.668 138 R HA 0.597 4.937 4.340 -0.000 0.000 0.279 138 R C -0.108 175.934 176.300 -0.431 0.000 0.976 138 R CA -0.604 55.359 56.100 -0.227 0.000 0.978 138 R CB 1.250 31.433 30.300 -0.194 0.000 1.133 138 R HN 0.226 nan 8.270 nan 0.000 0.484 139 K N 2.386 122.430 120.400 -0.593 0.000 2.345 139 K HA 0.414 4.734 4.320 -0.000 0.000 0.255 139 K C -1.327 174.915 176.600 -0.597 0.000 0.934 139 K CA -0.625 55.351 56.287 -0.518 0.000 0.801 139 K CB 1.832 34.147 32.500 -0.309 0.000 1.137 139 K HN 0.434 nan 8.250 nan 0.000 0.424 140 Y N 1.259 121.560 120.300 0.002 0.000 2.442 140 Y HA 0.378 4.927 4.550 -0.000 0.000 0.344 140 Y C -0.606 175.299 175.900 0.008 0.000 0.976 140 Y CA -1.136 56.994 58.100 0.051 0.000 1.040 140 Y CB 1.559 40.071 38.460 0.087 0.000 1.228 140 Y HN 0.396 nan 8.280 nan 0.000 0.451 141 L N 4.913 126.221 121.223 0.142 0.000 2.289 141 L HA 0.796 5.135 4.340 -0.000 0.000 0.285 141 L C -0.650 176.236 176.870 0.028 0.000 1.049 141 L CA -0.637 54.229 54.840 0.044 0.000 0.804 141 L CB 0.996 43.062 42.059 0.013 0.000 1.195 141 L HN 0.514 nan 8.230 nan 0.000 0.428 142 V N 3.195 123.093 119.914 -0.026 0.000 2.715 142 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 142 V C -0.729 175.332 176.094 -0.055 0.000 1.054 142 V CA -0.573 61.695 62.300 -0.053 0.000 0.928 142 V CB 1.634 33.387 31.823 -0.116 0.000 1.007 142 V HN 0.969 nan 8.190 nan 0.000 0.437 143 N N 2.650 121.333 118.700 -0.030 0.000 3.039 143 N HA 0.498 5.238 4.740 -0.000 0.000 0.257 143 N C -0.858 174.641 175.510 -0.018 0.000 1.497 143 N CA -0.871 52.157 53.050 -0.036 0.000 0.861 143 N CB 1.939 40.401 38.487 -0.043 0.000 1.479 143 N HN 0.882 nan 8.380 nan 0.000 0.547 144 M N -0.821 118.730 119.600 -0.081 0.000 2.255 144 M HA 0.467 4.947 4.480 -0.000 0.000 0.336 144 M C -1.118 175.153 176.300 -0.048 0.000 1.135 144 M CA -0.194 55.061 55.300 -0.074 0.000 1.145 144 M CB 0.305 32.783 32.600 -0.203 0.000 1.473 144 M HN 0.511 nan 8.290 nan 0.000 0.462 145 Y N 2.964 123.234 120.300 -0.049 0.000 2.331 145 Y HA 0.404 4.954 4.550 -0.000 0.000 0.338 145 Y C -1.441 174.451 175.900 -0.012 0.000 0.992 145 Y CA -0.406 57.697 58.100 0.004 0.000 1.121 145 Y CB 0.957 39.485 38.460 0.112 0.000 1.184 145 Y HN 0.822 nan 8.280 nan 0.000 0.469 146 W N 8.191 129.209 121.300 -0.470 0.000 2.316 146 W HA 0.235 4.894 4.660 -0.000 0.000 0.308 146 W C -1.174 175.210 176.519 -0.225 0.000 1.106 146 W CA -0.543 56.582 57.345 -0.367 0.000 1.262 146 W CB 1.232 30.479 29.460 -0.356 0.000 1.233 146 W HN 0.555 nan 8.180 nan 0.000 0.447 147 D N 5.261 125.218 120.400 -0.738 0.000 2.427 147 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 147 D C 1.349 177.160 176.300 -0.814 0.000 1.076 147 D CA -0.086 53.576 54.000 -0.563 0.000 0.849 147 D CB 0.637 41.247 40.800 -0.316 0.000 1.052 147 D HN 0.527 nan 8.370 nan 0.000 0.515 148 H N 2.557 121.256 119.070 -0.617 0.000 2.551 148 H HA 0.176 4.732 4.556 -0.000 0.000 0.266 148 H C 0.105 175.126 175.328 -0.512 0.000 0.977 148 H CA -0.151 55.517 56.048 -0.634 0.000 1.163 148 H CB 0.075 29.385 29.762 -0.752 0.000 1.381 148 H HN 0.119 nan 8.280 nan 0.000 0.581 149 R N 0.697 120.674 120.500 -0.872 0.000 2.590 149 R HA 0.063 4.403 4.340 -0.000 0.000 0.274 149 R C 1.350 177.512 176.300 -0.230 0.000 1.061 149 R CA 0.064 55.807 56.100 -0.594 0.000 1.081 149 R CB 1.077 31.031 30.300 -0.576 0.000 0.984 149 R HN -0.038 nan 8.270 nan 0.000 0.448 150 V N 1.608 121.437 119.914 -0.142 0.000 2.469 150 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 150 V C 0.645 176.723 176.094 -0.026 0.000 1.064 150 V CA 1.892 64.150 62.300 -0.071 0.000 1.066 150 V CB -0.301 31.503 31.823 -0.032 0.000 0.667 150 V HN 0.746 nan 8.190 nan 0.000 0.461 151 D N -1.764 118.648 120.400 0.020 0.000 2.696 151 D HA 0.246 4.886 4.640 -0.000 0.000 0.269 151 D C -0.289 175.925 176.300 -0.142 0.000 1.319 151 D CA -0.047 53.927 54.000 -0.043 0.000 0.826 151 D CB 0.165 40.925 40.800 -0.066 0.000 1.086 151 D HN 0.484 nan 8.370 nan 0.000 0.481 152 H N -0.993 118.024 119.070 -0.088 0.000 2.637 152 H HA 0.230 4.785 4.556 -0.000 0.000 0.363 152 H C -0.464 174.834 175.328 -0.050 0.000 1.131 152 H CA -0.716 55.294 56.048 -0.064 0.000 1.183 152 H CB 1.208 30.902 29.762 -0.112 0.000 1.637 152 H HN -0.028 nan 8.280 nan 0.000 0.531 153 H N 4.339 123.423 119.070 0.025 0.000 2.975 153 H HA 0.087 4.642 4.556 -0.000 0.000 0.303 153 H C -1.747 173.575 175.328 -0.009 0.000 1.023 153 H CA -1.794 54.264 56.048 0.017 0.000 1.473 153 H CB 0.996 30.772 29.762 0.023 0.000 1.498 153 H HN 0.487 nan 8.280 nan 0.000 0.549 154 P HA -0.098 nan 4.420 nan 0.000 0.222 154 P C -0.409 176.441 177.300 -0.751 0.000 1.147 154 P CA 1.071 63.642 63.100 -0.882 0.000 0.790 154 P CB 0.130 31.054 31.700 -1.294 0.000 0.780 155 F N -1.328 118.285 119.950 -0.563 0.000 2.499 155 F HA 0.177 4.704 4.527 -0.000 0.000 0.353 155 F C 1.500 177.343 175.800 0.072 0.000 1.196 155 F CA -0.718 57.201 58.000 -0.136 0.000 1.244 155 F CB -0.336 38.656 39.000 -0.015 0.000 1.577 155 F HN -0.135 nan 8.300 nan 0.000 0.614 156 Y N 1.921 122.238 120.300 0.029 0.000 2.403 156 Y HA 0.152 4.702 4.550 -0.000 0.000 0.291 156 Y C 1.404 177.345 175.900 0.068 0.000 1.143 156 Y CA 1.093 59.235 58.100 0.069 0.000 1.257 156 Y CB -0.203 38.331 38.460 0.123 0.000 0.984 156 Y HN 0.546 nan 8.280 nan 0.000 0.550 157 G N -0.557 108.343 108.800 0.167 0.000 2.298 157 G HA2 0.001 3.960 3.960 -0.000 0.000 0.309 157 G HA3 0.001 3.960 3.960 -0.000 0.000 0.309 157 G C -1.732 173.255 174.900 0.144 0.000 1.279 157 G CA -0.541 44.602 45.100 0.071 0.000 1.042 157 G HN -0.061 nan 8.290 nan 0.000 0.480 158 I N 1.093 121.734 120.570 0.119 0.000 2.321 158 I HA 0.532 4.701 4.170 -0.000 0.000 0.291 158 I C 0.745 176.915 176.117 0.088 0.000 0.998 158 I CA -0.930 60.433 61.300 0.104 0.000 1.227 158 I CB 0.622 38.671 38.000 0.082 0.000 1.368 158 I HN 0.512 nan 8.210 nan 0.000 0.466 159 V N 8.277 128.257 119.914 0.110 0.000 2.567 159 V HA 0.526 4.646 4.120 -0.000 0.000 0.289 159 V C -0.647 175.475 176.094 0.046 0.000 1.049 159 V CA -0.506 61.852 62.300 0.097 0.000 0.969 159 V CB 2.058 34.009 31.823 0.212 0.000 0.995 159 V HN 0.591 nan 8.190 nan 0.000 0.471 160 L N 5.870 127.110 121.223 0.028 0.000 2.381 160 L HA 0.714 5.054 4.340 -0.000 0.000 0.268 160 L C -0.796 176.112 176.870 0.063 0.000 0.997 160 L CA 0.159 54.988 54.840 -0.018 0.000 0.818 160 L CB 1.831 43.779 42.059 -0.184 0.000 1.310 160 L HN 0.828 nan 8.230 nan 0.000 0.416 161 Q N 2.470 122.334 119.800 0.107 0.000 2.352 161 Q HA 0.263 4.603 4.340 -0.000 0.000 0.270 161 Q C -1.579 174.570 176.000 0.247 0.000 1.006 161 Q CA -0.631 55.280 55.803 0.180 0.000 0.880 161 Q CB 2.055 30.876 28.738 0.139 0.000 1.392 161 Q HN 0.808 nan 8.270 nan 0.000 0.401 162 E N 2.015 122.394 120.200 0.300 0.000 2.384 162 E HA 0.059 4.409 4.350 -0.000 0.000 0.266 162 E C -1.578 175.092 176.600 0.117 0.000 1.012 162 E CA -0.034 56.488 56.400 0.203 0.000 0.901 162 E CB 0.636 30.433 29.700 0.162 0.000 0.967 162 E HN 0.440 nan 8.360 nan 0.000 0.435 163 Y N 2.907 123.158 120.300 -0.083 0.000 2.360 163 Y HA 0.306 4.856 4.550 -0.000 0.000 0.337 163 Y C -0.697 175.153 175.900 -0.083 0.000 1.039 163 Y CA -0.673 57.388 58.100 -0.064 0.000 1.109 163 Y CB 1.725 40.144 38.460 -0.069 0.000 1.201 163 Y HN 0.384 nan 8.280 nan 0.000 0.458 164 S N 5.093 120.355 115.700 -0.729 0.000 2.438 164 S HA 0.350 4.820 4.470 -0.000 0.000 0.316 164 S C 0.404 174.578 174.600 -0.710 0.000 1.084 164 S CA -0.675 57.209 58.200 -0.528 0.000 1.107 164 S CB 0.695 63.719 63.200 -0.293 0.000 0.981 164 S HN 0.703 nan 8.310 nan 0.000 0.466 165 V N 4.993 124.725 119.914 -0.302 0.000 2.295 165 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 165 V C 2.566 178.648 176.094 -0.021 0.000 1.049 165 V CA 2.280 64.575 62.300 -0.009 0.000 1.024 165 V CB -0.954 30.984 31.823 0.191 0.000 0.648 165 V HN 0.929 nan 8.190 nan 0.000 0.447 166 E N 0.562 120.733 120.200 -0.048 0.000 2.085 166 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 166 E C 2.158 178.734 176.600 -0.039 0.000 0.994 166 E CA 1.716 58.102 56.400 -0.025 0.000 0.801 166 E CB -0.221 29.463 29.700 -0.027 0.000 0.743 166 E HN 0.688 nan 8.360 nan 0.000 0.453 167 Q N -0.354 119.388 119.800 -0.097 0.000 2.425 167 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 167 Q C -0.284 175.678 176.000 -0.063 0.000 0.933 167 Q CA 0.227 55.984 55.803 -0.077 0.000 0.939 167 Q CB 0.491 29.174 28.738 -0.092 0.000 1.044 167 Q HN 0.073 nan 8.270 nan 0.000 0.513 168 K N 1.276 121.623 120.400 -0.088 0.000 3.077 168 K HA -0.203 4.117 4.320 -0.000 0.000 0.264 168 K C -0.576 176.074 176.600 0.082 0.000 1.008 168 K CA 1.249 57.568 56.287 0.054 0.000 0.740 168 K CB -1.923 30.654 32.500 0.129 0.000 1.273 168 K HN 0.551 nan 8.250 nan 0.000 0.477 169 K N -1.916 118.408 120.400 -0.126 0.000 2.658 169 K HA 0.466 4.786 4.320 -0.000 0.000 0.293 169 K C -0.621 175.939 176.600 -0.066 0.000 1.026 169 K CA -1.196 55.108 56.287 0.029 0.000 0.871 169 K CB 0.875 33.404 32.500 0.048 0.000 1.524 169 K HN -0.054 nan 8.250 nan 0.000 0.400 170 L N 1.562 122.843 121.223 0.096 0.000 2.436 170 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 170 L C 0.205 177.095 176.870 0.033 0.000 1.168 170 L CA -0.697 54.197 54.840 0.090 0.000 0.815 170 L CB 1.271 43.397 42.059 0.111 0.000 1.109 170 L HN 0.585 nan 8.230 nan 0.000 0.462 171 V N -0.978 118.957 119.914 0.036 0.000 3.158 171 V HA 1.013 5.133 4.120 -0.000 0.000 0.311 171 V C 0.285 176.420 176.094 0.068 0.000 1.181 171 V CA -0.021 62.298 62.300 0.031 0.000 1.054 171 V CB 0.943 32.763 31.823 -0.005 0.000 1.085 171 V HN 1.018 nan 8.190 nan 0.000 0.446 172 G N 0.696 109.531 108.800 0.058 0.000 2.601 172 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 172 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 172 G C -0.257 174.687 174.900 0.073 0.000 1.294 172 G CA 0.653 45.795 45.100 0.070 0.000 0.912 172 G HN 1.441 nan 8.290 nan 0.000 0.574 173 E N 0.955 121.201 120.200 0.077 0.000 2.175 173 E HA 0.540 4.890 4.350 -0.000 0.000 0.278 173 E C -2.286 174.378 176.600 0.107 0.000 0.969 173 E CA -1.976 54.466 56.400 0.070 0.000 0.796 173 E CB 1.253 30.974 29.700 0.035 0.000 1.104 173 E HN 0.261 nan 8.360 nan 0.000 0.395 174 P HA 0.149 nan 4.420 nan 0.000 0.271 174 P C -1.279 176.073 177.300 0.087 0.000 1.216 174 P CA 0.064 63.228 63.100 0.106 0.000 0.771 174 P CB 0.591 32.351 31.700 0.101 0.000 0.864 175 K N 2.425 122.896 120.400 0.118 0.000 2.498 175 K HA 0.425 4.745 4.320 -0.000 0.000 0.254 175 K C -0.575 176.075 176.600 0.084 0.000 0.933 175 K CA -0.881 55.469 56.287 0.105 0.000 0.806 175 K CB 2.059 34.669 32.500 0.184 0.000 1.301 175 K HN 0.322 nan 8.250 nan 0.000 0.432 176 I N 5.001 125.595 120.570 0.041 0.000 2.533 176 I HA 0.045 4.215 4.170 -0.000 0.000 0.284 176 I C 1.518 177.692 176.117 0.095 0.000 1.109 176 I CA 0.387 61.711 61.300 0.040 0.000 1.412 176 I CB 0.213 38.208 38.000 -0.008 0.000 1.396 176 I HN 0.708 nan 8.210 nan 0.000 0.543 177 I N 2.692 123.335 120.570 0.122 0.000 4.070 177 I HA 0.335 4.504 4.170 -0.000 0.000 0.328 177 I C -0.143 176.189 176.117 0.358 0.000 1.298 177 I CA 0.342 61.774 61.300 0.221 0.000 1.173 177 I CB 0.637 38.757 38.000 0.201 0.000 1.051 177 I HN 0.289 nan 8.210 nan 0.000 0.409 178 F N 1.680 121.639 119.950 0.015 0.000 2.622 178 F HA 0.455 4.982 4.527 -0.000 0.000 0.318 178 F C 0.104 175.879 175.800 -0.042 0.000 1.135 178 F CA -1.075 56.916 58.000 -0.015 0.000 1.015 178 F CB 1.697 40.624 39.000 -0.122 0.000 1.275 178 F HN -0.274 nan 8.300 nan 0.000 0.457 179 K N 2.853 122.952 120.400 -0.502 0.000 2.334 179 K HA 0.514 4.834 4.320 -0.000 0.000 0.195 179 K C 0.785 177.014 176.600 -0.618 0.000 1.045 179 K CA 0.770 56.785 56.287 -0.454 0.000 1.004 179 K CB 0.176 32.466 32.500 -0.351 0.000 0.837 179 K HN 0.977 nan 8.250 nan 0.000 0.510 180 G N 0.905 108.915 108.800 -1.317 0.000 2.483 180 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.521 180 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.521 180 G C -0.161 174.385 174.900 -0.589 0.000 1.278 180 G CA -0.330 44.179 45.100 -0.984 0.000 0.965 180 G HN 0.196 nan 8.290 nan 0.000 0.504 181 T N -3.117 111.278 114.554 -0.266 0.000 2.876 181 T HA 0.594 4.943 4.350 -0.000 0.000 0.277 181 T C 1.325 175.923 174.700 -0.170 0.000 0.997 181 T CA 0.863 62.867 62.100 -0.161 0.000 0.966 181 T CB 1.475 70.300 68.868 -0.072 0.000 1.312 181 T HN 1.100 nan 8.240 nan 0.000 0.598 182 D N -0.046 120.264 120.400 -0.151 0.000 2.310 182 D HA -0.084 4.556 4.640 -0.000 0.000 0.212 182 D C 1.826 178.012 176.300 -0.191 0.000 0.965 182 D CA 0.342 54.241 54.000 -0.168 0.000 0.879 182 D CB -0.566 40.146 40.800 -0.147 0.000 0.921 182 D HN 0.234 nan 8.370 nan 0.000 0.510 183 L N 0.370 121.488 121.223 -0.175 0.000 2.079 183 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 183 L C 1.303 178.064 176.870 -0.182 0.000 1.081 183 L CA 0.979 55.711 54.840 -0.180 0.000 0.752 183 L CB -0.711 41.264 42.059 -0.140 0.000 0.896 183 L HN 0.102 nan 8.230 nan 0.000 0.433 184 R N -1.387 119.008 120.500 -0.176 0.000 3.819 184 R HA -0.272 4.068 4.340 -0.000 0.000 0.488 184 R C 0.973 177.230 176.300 -0.071 0.000 0.241 184 R CA 1.059 57.059 56.100 -0.166 0.000 1.530 184 R CB -1.643 28.392 30.300 -0.443 0.000 1.019 184 R HN 0.273 nan 8.270 nan 0.000 0.557 185 I N -0.733 119.881 120.570 0.075 0.000 6.532 185 I HA -0.266 3.904 4.170 -0.000 0.000 0.126 185 I C 0.127 176.101 176.117 -0.239 0.000 1.811 185 I CA 1.168 62.175 61.300 -0.489 0.000 2.115 185 I CB -2.054 35.632 38.000 -0.523 0.000 3.474 185 I HN 0.471 nan 8.210 nan 0.000 0.192 186 T N 2.092 116.731 114.554 0.142 0.000 2.870 186 T HA 0.432 4.782 4.350 -0.000 0.000 0.300 186 T C 0.232 175.145 174.700 0.354 0.000 0.989 186 T CA 0.247 62.471 62.100 0.206 0.000 1.139 186 T CB 2.014 70.962 68.868 0.134 0.000 0.920 186 T HN 0.473 nan 8.240 nan 0.000 0.537 187 E N 0.683 121.030 120.200 0.245 0.000 2.447 187 E HA 0.507 4.857 4.350 -0.000 0.000 0.279 187 E C 0.157 176.794 176.600 0.062 0.000 1.053 187 E CA -0.675 55.889 56.400 0.274 0.000 0.840 187 E CB 1.200 31.148 29.700 0.413 0.000 1.409 187 E HN 0.755 nan 8.360 nan 0.000 0.461 188 G N 2.709 111.512 108.800 0.006 0.000 2.396 188 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.288 188 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.288 188 G C -2.467 172.148 174.900 -0.475 0.000 0.926 188 G CA 0.281 45.163 45.100 -0.364 0.000 1.211 188 G HN 0.239 nan 8.290 nan 0.000 0.496 189 P HA 0.297 nan 4.420 nan 0.000 0.280 189 P C -0.394 176.547 177.300 -0.599 0.000 1.244 189 P CA 0.122 63.007 63.100 -0.359 0.000 0.784 189 P CB 1.119 32.696 31.700 -0.205 0.000 0.913 190 H N 1.830 120.817 119.070 -0.138 0.000 2.771 190 H HA 0.418 4.974 4.556 -0.000 0.000 0.361 190 H C -0.236 174.835 175.328 -0.427 0.000 1.108 190 H CA -0.643 55.247 56.048 -0.264 0.000 1.201 190 H CB 1.550 31.241 29.762 -0.117 0.000 1.681 190 H HN 0.307 nan 8.280 nan 0.000 0.534 191 L N 3.119 124.071 121.223 -0.452 0.000 2.322 191 L HA 0.412 4.752 4.340 -0.000 0.000 0.279 191 L C -0.974 175.501 176.870 -0.659 0.000 1.036 191 L CA -0.711 53.780 54.840 -0.581 0.000 0.807 191 L CB 0.823 42.343 42.059 -0.900 0.000 1.226 191 L HN 0.481 nan 8.230 nan 0.000 0.433 192 Y N 1.216 121.589 120.300 0.122 0.000 2.457 192 Y HA 0.367 4.917 4.550 -0.000 0.000 0.343 192 Y C -0.385 175.743 175.900 0.380 0.000 0.994 192 Y CA -1.129 57.204 58.100 0.389 0.000 1.031 192 Y CB 1.795 40.498 38.460 0.405 0.000 1.246 192 Y HN 0.316 nan 8.280 nan 0.000 0.449 193 K N 3.793 124.551 120.400 0.597 0.000 2.268 193 K HA 0.668 4.988 4.320 -0.000 0.000 0.276 193 K C -1.677 175.104 176.600 0.301 0.000 1.080 193 K CA 0.118 56.587 56.287 0.304 0.000 0.910 193 K CB -0.034 32.602 32.500 0.227 0.000 1.163 193 K HN 0.651 nan 8.250 nan 0.000 0.465 194 I N 4.046 124.800 120.570 0.307 0.000 2.582 194 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 194 I C 0.288 176.492 176.117 0.145 0.000 1.066 194 I CA -0.932 60.467 61.300 0.165 0.000 1.053 194 I CB 2.049 39.999 38.000 -0.083 0.000 1.241 194 I HN 0.856 nan 8.210 nan 0.000 0.421 195 N N 2.739 121.433 118.700 -0.010 0.000 1.170 195 N HA -0.256 4.484 4.740 -0.000 0.000 0.121 195 N C 1.074 176.552 175.510 -0.054 0.000 0.786 195 N CA 1.644 54.677 53.050 -0.028 0.000 0.876 195 N CB -0.921 37.572 38.487 0.010 0.000 1.094 195 N HN 0.930 nan 8.380 nan 0.000 0.586 196 G N -1.643 107.060 108.800 -0.161 0.000 3.088 196 G HA2 0.260 4.220 3.960 -0.000 0.000 0.217 196 G HA3 0.260 4.220 3.960 -0.000 0.000 0.217 196 G C -0.732 173.912 174.900 -0.428 0.000 1.159 196 G CA 0.140 45.041 45.100 -0.332 0.000 0.760 196 G HN 0.381 nan 8.290 nan 0.000 0.550 197 Y N -0.768 119.458 120.300 -0.123 0.000 2.420 197 Y HA 0.561 5.110 4.550 -0.000 0.000 0.334 197 Y C -0.396 175.395 175.900 -0.182 0.000 1.094 197 Y CA -1.457 56.507 58.100 -0.226 0.000 1.126 197 Y CB 1.124 39.257 38.460 -0.545 0.000 1.217 197 Y HN 0.006 nan 8.280 nan 0.000 0.462 198 Y N 1.298 121.617 120.300 0.031 0.000 2.316 198 Y HA 0.265 4.815 4.550 -0.000 0.000 0.331 198 Y C -0.882 175.034 175.900 0.026 0.000 1.083 198 Y CA -0.418 57.731 58.100 0.082 0.000 1.206 198 Y CB 0.374 38.844 38.460 0.018 0.000 1.195 198 Y HN 0.436 nan 8.280 nan 0.000 0.497 199 Y N 3.823 124.305 120.300 0.303 0.000 2.331 199 Y HA 0.375 4.924 4.550 -0.000 0.000 0.338 199 Y C -0.585 175.395 175.900 0.133 0.000 0.976 199 Y CA -0.981 57.270 58.100 0.250 0.000 1.137 199 Y CB 1.201 39.834 38.460 0.289 0.000 1.172 199 Y HN 0.428 nan 8.280 nan 0.000 0.478 200 L N 5.843 127.066 121.223 -0.000 0.000 2.265 200 L HA 0.556 4.895 4.340 -0.000 0.000 0.289 200 L C -1.434 175.327 176.870 -0.181 0.000 1.033 200 L CA -0.683 53.971 54.840 -0.309 0.000 0.814 200 L CB 0.703 42.168 42.059 -0.990 0.000 1.203 200 L HN 0.614 nan 8.230 nan 0.000 0.423 201 L N 5.631 126.853 121.223 -0.003 0.000 2.295 201 L HA 0.816 5.156 4.340 -0.000 0.000 0.285 201 L C -0.120 176.725 176.870 -0.041 0.000 1.035 201 L CA 0.359 55.240 54.840 0.069 0.000 0.806 201 L CB 1.616 43.868 42.059 0.320 0.000 1.214 201 L HN 0.869 nan 8.230 nan 0.000 0.426 202 T N 2.035 116.566 114.554 -0.038 0.000 2.901 202 T HA 0.889 5.239 4.350 -0.000 0.000 0.293 202 T C -0.513 174.171 174.700 -0.027 0.000 1.084 202 T CA -0.529 61.547 62.100 -0.039 0.000 1.008 202 T CB 1.479 70.391 68.868 0.072 0.000 1.170 202 T HN 0.849 nan 8.240 nan 0.000 0.509 203 A N 1.190 123.985 122.820 -0.042 0.000 2.290 203 A HA 0.728 5.048 4.320 -0.000 0.000 0.310 203 A C -0.055 177.590 177.584 0.101 0.000 1.202 203 A CA -0.651 51.398 52.037 0.019 0.000 0.837 203 A CB 0.332 19.394 19.000 0.103 0.000 1.139 203 A HN 0.864 nan 8.150 nan 0.000 0.509 204 E N 0.234 120.486 120.200 0.087 0.000 2.410 204 E HA 0.594 4.944 4.350 -0.000 0.000 0.269 204 E C 0.565 177.219 176.600 0.091 0.000 0.937 204 E CA -0.464 55.976 56.400 0.065 0.000 0.793 204 E CB 1.799 31.509 29.700 0.016 0.000 1.314 204 E HN 1.338 nan 8.360 nan 0.000 0.447 205 G N 0.371 109.171 108.800 0.001 0.000 2.176 205 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.253 205 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.253 205 G C 0.561 175.466 174.900 0.009 0.000 0.979 205 G CA 0.187 45.276 45.100 -0.018 0.000 0.641 205 G HN 1.287 nan 8.290 nan 0.000 0.530 206 G N -2.015 106.799 108.800 0.022 0.000 2.716 206 G HA2 0.237 4.196 3.960 -0.000 0.000 0.686 206 G HA3 0.237 4.196 3.960 -0.000 0.000 0.686 206 G C 0.353 175.128 174.900 -0.209 0.000 1.337 206 G CA 0.743 45.818 45.100 -0.042 0.000 0.829 206 G HN 1.628 nan 8.290 nan 0.000 0.599 207 T N 1.002 115.350 114.554 -0.342 0.000 3.317 207 T HA 0.218 4.567 4.350 -0.000 0.000 0.250 207 T C 1.575 176.066 174.700 -0.348 0.000 1.106 207 T CA 1.532 63.200 62.100 -0.720 0.000 0.986 207 T CB -0.423 68.200 68.868 -0.408 0.000 1.010 207 T HN 0.598 nan 8.240 nan 0.000 0.560 208 R N -0.791 119.584 120.500 -0.207 0.000 2.417 208 R HA 0.328 4.668 4.340 -0.000 0.000 0.189 208 R C 0.787 176.953 176.300 -0.223 0.000 1.249 208 R CA -0.533 55.427 56.100 -0.233 0.000 1.171 208 R CB -0.156 30.097 30.300 -0.079 0.000 2.071 208 R HN 0.179 nan 8.270 nan 0.000 0.537 209 Y N 0.677 121.021 120.300 0.074 0.000 2.583 209 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 209 Y C 1.138 177.197 175.900 0.266 0.000 1.157 209 Y CA 0.848 59.033 58.100 0.142 0.000 1.315 209 Y CB -0.343 38.165 38.460 0.079 0.000 1.021 209 Y HN 0.455 nan 8.280 nan 0.000 0.536 210 N N -1.621 117.248 118.700 0.281 0.000 2.280 210 N HA -0.037 4.703 4.740 -0.000 0.000 0.192 210 N C 0.039 175.645 175.510 0.161 0.000 1.109 210 N CA -0.121 53.031 53.050 0.170 0.000 0.855 210 N CB -0.003 38.465 38.487 -0.031 0.000 0.974 210 N HN 0.366 nan 8.380 nan 0.000 0.482 211 H N 0.979 120.100 119.070 0.085 0.000 3.064 211 H HA 0.191 4.746 4.556 -0.000 0.000 0.329 211 H C -0.337 175.034 175.328 0.072 0.000 1.020 211 H CA -0.227 55.863 56.048 0.069 0.000 1.402 211 H CB 0.524 30.335 29.762 0.082 0.000 1.379 211 H HN 0.185 nan 8.280 nan 0.000 0.594 212 A N 3.020 125.847 122.820 0.012 0.000 2.566 212 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 212 A C -1.360 176.124 177.584 -0.167 0.000 1.112 212 A CA -0.185 51.803 52.037 -0.081 0.000 0.707 212 A CB 1.457 20.437 19.000 -0.033 0.000 1.302 212 A HN 0.785 nan 8.150 nan 0.000 0.409 213 A N 0.585 123.319 122.820 -0.143 0.000 2.276 213 A HA 0.720 5.040 4.320 -0.000 0.000 0.316 213 A C -0.055 177.478 177.584 -0.085 0.000 1.229 213 A CA -0.250 51.724 52.037 -0.105 0.000 0.851 213 A CB 0.324 19.269 19.000 -0.092 0.000 1.165 213 A HN 0.794 nan 8.150 nan 0.000 0.513 214 T N 2.641 117.170 114.554 -0.042 0.000 2.855 214 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 214 T C -0.572 174.115 174.700 -0.020 0.000 1.007 214 T CA -0.080 62.003 62.100 -0.028 0.000 1.009 214 T CB 0.913 69.815 68.868 0.056 0.000 0.983 214 T HN 0.572 nan 8.240 nan 0.000 0.455 215 I N 1.997 122.554 120.570 -0.022 0.000 2.647 215 I HA 0.770 4.940 4.170 -0.000 0.000 0.295 215 I C -0.984 175.197 176.117 0.106 0.000 1.078 215 I CA -0.658 60.677 61.300 0.058 0.000 1.048 215 I CB 1.410 39.506 38.000 0.160 0.000 1.239 215 I HN 0.783 nan 8.210 nan 0.000 0.421 216 A N 6.782 129.657 122.820 0.092 0.000 2.566 216 A HA 0.916 5.236 4.320 -0.000 0.000 0.292 216 A C -1.255 176.488 177.584 0.265 0.000 1.112 216 A CA -0.743 51.404 52.037 0.183 0.000 0.707 216 A CB 1.936 20.822 19.000 -0.189 0.000 1.302 216 A HN 0.794 nan 8.150 nan 0.000 0.409 217 R N -0.401 120.259 120.500 0.266 0.000 2.855 217 R HA 0.911 5.250 4.340 -0.000 0.000 0.266 217 R C -0.885 175.392 176.300 -0.038 0.000 1.034 217 R CA -0.260 55.762 56.100 -0.129 0.000 0.944 217 R CB 1.769 31.445 30.300 -1.039 0.000 1.219 217 R HN 1.050 nan 8.270 nan 0.000 0.474 218 S N -1.121 114.515 115.700 -0.105 0.000 2.578 218 S HA 0.173 4.642 4.470 -0.000 0.000 0.272 218 S C 0.155 174.788 174.600 0.054 0.000 1.145 218 S CA -0.075 58.039 58.200 -0.145 0.000 0.835 218 S CB 1.496 64.295 63.200 -0.669 0.000 1.104 218 S HN 0.795 nan 8.310 nan 0.000 0.458 219 T N -0.379 114.189 114.554 0.023 0.000 3.067 219 T HA 0.245 4.595 4.350 -0.000 0.000 0.261 219 T C 0.894 175.652 174.700 0.097 0.000 1.110 219 T CA 0.843 62.949 62.100 0.011 0.000 1.113 219 T CB -0.073 68.756 68.868 -0.065 0.000 0.917 219 T HN 0.526 nan 8.240 nan 0.000 0.499 220 S N -0.028 115.650 115.700 -0.037 0.000 2.549 220 S HA 0.510 4.980 4.470 -0.000 0.000 0.297 220 S C 0.701 175.044 174.600 -0.429 0.000 1.115 220 S CA -0.959 57.170 58.200 -0.118 0.000 1.059 220 S CB 1.459 64.599 63.200 -0.100 0.000 1.046 220 S HN 0.252 nan 8.310 nan 0.000 0.506 221 L N 4.319 125.122 121.223 -0.701 0.000 2.265 221 L HA 0.131 4.471 4.340 -0.000 0.000 0.215 221 L C 0.774 177.240 176.870 -0.673 0.000 1.117 221 L CA 1.848 56.049 54.840 -1.066 0.000 0.782 221 L CB -0.420 40.949 42.059 -1.151 0.000 0.914 221 L HN 0.866 nan 8.230 nan 0.000 0.441 222 Y N -0.541 119.549 120.300 -0.349 0.000 2.458 222 Y HA 0.490 5.040 4.550 -0.000 0.000 0.256 222 Y C 1.436 177.227 175.900 -0.181 0.000 1.159 222 Y CA 0.207 58.196 58.100 -0.185 0.000 1.261 222 Y CB 0.044 38.417 38.460 -0.145 0.000 1.119 222 Y HN 0.228 nan 8.280 nan 0.000 0.524 223 G N 0.421 109.010 108.800 -0.352 0.000 2.548 223 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.208 223 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.208 223 G C -2.872 171.896 174.900 -0.220 0.000 1.308 223 G CA -1.296 43.529 45.100 -0.458 0.000 0.924 223 G HN -0.033 nan 8.290 nan 0.000 0.540 224 P HA 0.508 nan 4.420 nan 0.000 0.279 224 P C -0.905 176.329 177.300 -0.109 0.000 1.239 224 P CA -0.177 62.895 63.100 -0.047 0.000 0.789 224 P CB 0.265 31.979 31.700 0.023 0.000 0.933 225 Y N 0.816 121.166 120.300 0.085 0.000 2.336 225 Y HA 0.164 4.714 4.550 -0.000 0.000 0.335 225 Y C 1.241 177.214 175.900 0.121 0.000 1.046 225 Y CA -0.145 57.984 58.100 0.048 0.000 1.198 225 Y CB 0.551 38.958 38.460 -0.089 0.000 1.182 225 Y HN 0.389 nan 8.280 nan 0.000 0.502 226 E N 1.705 122.046 120.200 0.235 0.000 2.227 226 E HA 0.508 4.858 4.350 -0.000 0.000 0.282 226 E C -1.122 175.648 176.600 0.282 0.000 1.015 226 E CA -0.901 55.638 56.400 0.232 0.000 0.823 226 E CB 1.363 31.180 29.700 0.195 0.000 1.081 226 E HN 0.245 nan 8.360 nan 0.000 0.396 227 V N 3.282 123.294 119.914 0.163 0.000 2.649 227 V HA -0.031 4.089 4.120 -0.000 0.000 0.292 227 V C 0.650 176.553 176.094 -0.319 0.000 1.055 227 V CA -0.634 61.689 62.300 0.037 0.000 1.023 227 V CB 0.821 32.696 31.823 0.086 0.000 0.992 227 V HN 0.763 nan 8.190 nan 0.000 0.480 228 H N 8.070 126.640 119.070 -0.833 0.000 3.209 228 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 228 H C -1.420 173.405 175.328 -0.839 0.000 0.936 228 H CA -0.801 54.371 56.048 -1.459 0.000 1.392 228 H CB 1.133 30.348 29.762 -0.911 0.000 1.349 228 H HN 0.420 nan 8.280 nan 0.000 0.568 229 P HA -0.116 nan 4.420 nan 0.000 0.219 229 P C 0.180 177.436 177.300 -0.073 0.000 1.146 229 P CA 1.172 64.106 63.100 -0.276 0.000 0.808 229 P CB 0.515 32.062 31.700 -0.257 0.000 0.779 230 D N -0.846 119.615 120.400 0.103 0.000 2.559 230 D HA 0.076 4.716 4.640 -0.000 0.000 0.234 230 D C 0.297 176.463 176.300 -0.222 0.000 1.226 230 D CA -0.407 53.600 54.000 0.011 0.000 0.830 230 D CB -0.748 40.142 40.800 0.150 0.000 1.028 230 D HN 0.101 nan 8.370 nan 0.000 0.492 231 N N 2.317 120.863 118.700 -0.258 0.000 2.353 231 N HA 0.020 4.760 4.740 -0.000 0.000 0.248 231 N C -2.318 173.079 175.510 -0.189 0.000 1.240 231 N CA -0.426 52.436 53.050 -0.314 0.000 0.862 231 N CB 0.583 38.954 38.487 -0.194 0.000 1.086 231 N HN -0.112 nan 8.380 nan 0.000 0.453 232 P HA 0.020 nan 4.420 nan 0.000 0.272 232 P C 0.641 177.743 177.300 -0.330 0.000 1.223 232 P CA -0.446 62.532 63.100 -0.203 0.000 0.784 232 P CB 0.599 32.236 31.700 -0.106 0.000 0.923 233 L N 2.469 123.470 121.223 -0.369 0.000 2.046 233 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 233 L C 0.440 177.165 176.870 -0.241 0.000 1.077 233 L CA 1.906 56.503 54.840 -0.404 0.000 0.747 233 L CB -0.515 41.367 42.059 -0.296 0.000 0.896 233 L HN 0.349 nan 8.230 nan 0.000 0.432 234 L N -1.319 119.801 121.223 -0.172 0.000 2.455 234 L HA 0.618 4.957 4.340 -0.000 0.000 0.264 234 L C -0.928 175.892 176.870 -0.083 0.000 0.968 234 L CA 0.194 54.951 54.840 -0.138 0.000 0.827 234 L CB 1.991 43.928 42.059 -0.202 0.000 1.317 234 L HN -0.010 nan 8.230 nan 0.000 0.407 235 T N 1.422 115.984 114.554 0.012 0.000 2.957 235 T HA 0.381 4.731 4.350 -0.000 0.000 0.336 235 T C -0.047 174.799 174.700 0.243 0.000 1.462 235 T CA -0.015 62.149 62.100 0.106 0.000 1.073 235 T CB 1.601 70.553 68.868 0.141 0.000 1.319 235 T HN 0.567 nan 8.240 nan 0.000 0.485 236 S N 1.548 117.405 115.700 0.262 0.000 2.535 236 S HA 0.105 4.575 4.470 -0.000 0.000 0.214 236 S C 1.197 175.983 174.600 0.309 0.000 0.980 236 S CA -0.291 58.111 58.200 0.336 0.000 0.907 236 S CB -0.159 63.196 63.200 0.259 0.000 0.790 236 S HN 0.751 nan 8.310 nan 0.000 0.510 237 W N 4.488 125.853 121.300 0.108 0.000 2.333 237 W HA -0.090 4.569 4.660 -0.000 0.000 0.316 237 W C -1.514 174.951 176.519 -0.090 0.000 1.215 237 W CA 1.539 58.903 57.345 0.033 0.000 1.278 237 W CB -0.973 28.495 29.460 0.013 0.000 1.154 237 W HN 0.165 nan 8.180 nan 0.000 0.486 238 P HA -0.015 nan 4.420 nan 0.000 0.255 238 P C -1.139 175.620 177.300 -0.901 0.000 1.301 238 P CA 0.871 63.417 63.100 -0.923 0.000 0.817 238 P CB -0.517 30.770 31.700 -0.688 0.000 1.259 239 Y N 0.778 120.966 120.300 -0.187 0.000 2.562 239 Y HA 0.303 4.853 4.550 -0.000 0.000 0.363 239 Y C -1.457 174.381 175.900 -0.104 0.000 0.991 239 Y CA -2.732 55.303 58.100 -0.109 0.000 1.121 239 Y CB 0.767 39.206 38.460 -0.035 0.000 1.159 239 Y HN -0.013 nan 8.280 nan 0.000 0.651 240 P HA -0.076 nan 4.420 nan 0.000 0.226 240 P C 0.871 178.156 177.300 -0.024 0.000 1.153 240 P CA 1.103 64.147 63.100 -0.093 0.000 0.777 240 P CB 0.444 32.037 31.700 -0.178 0.000 0.794 241 R N -1.203 119.304 120.500 0.012 0.000 2.300 241 R HA 0.104 4.444 4.340 -0.000 0.000 0.199 241 R C 1.028 177.356 176.300 0.047 0.000 0.920 241 R CA -0.268 55.844 56.100 0.021 0.000 1.046 241 R CB -0.296 30.013 30.300 0.015 0.000 0.984 241 R HN 0.104 nan 8.270 nan 0.000 0.493 242 N N 2.242 120.989 118.700 0.078 0.000 2.468 242 N HA -0.016 4.724 4.740 -0.000 0.000 0.265 242 N C -1.608 173.958 175.510 0.094 0.000 1.199 242 N CA -1.234 51.864 53.050 0.080 0.000 0.928 242 N CB 1.280 39.826 38.487 0.098 0.000 1.059 242 N HN -0.050 nan 8.380 nan 0.000 0.467 243 P HA -0.077 nan 4.420 nan 0.000 0.222 243 P C 0.064 177.454 177.300 0.150 0.000 1.147 243 P CA 1.046 64.211 63.100 0.109 0.000 0.790 243 P CB 0.385 32.144 31.700 0.098 0.000 0.780 244 L N 0.582 121.894 121.223 0.147 0.000 2.264 244 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 244 L C 0.710 177.698 176.870 0.197 0.000 1.039 244 L CA -0.489 54.457 54.840 0.177 0.000 0.829 244 L CB 0.830 42.995 42.059 0.176 0.000 1.211 244 L HN -0.069 nan 8.230 nan 0.000 0.427 245 Q N 2.261 122.195 119.800 0.222 0.000 2.252 245 Q HA 0.365 4.704 4.340 -0.000 0.000 0.256 245 Q C 0.080 176.199 176.000 0.198 0.000 1.020 245 Q CA -0.743 55.210 55.803 0.251 0.000 0.913 245 Q CB 1.476 30.445 28.738 0.384 0.000 1.286 245 Q HN 0.361 nan 8.270 nan 0.000 0.480 246 K N -1.257 119.248 120.400 0.175 0.000 3.069 246 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 246 K C -0.470 176.321 176.600 0.317 0.000 1.082 246 K CA 0.618 57.003 56.287 0.163 0.000 0.782 246 K CB -1.991 30.498 32.500 -0.018 0.000 1.230 246 K HN 0.629 nan 8.250 nan 0.000 0.488 247 A N 1.049 124.000 122.820 0.219 0.000 2.444 247 A HA 0.574 4.893 4.320 -0.000 0.000 0.273 247 A C 0.934 178.465 177.584 -0.089 0.000 1.136 247 A CA 0.875 52.979 52.037 0.111 0.000 0.799 247 A CB 0.481 19.449 19.000 -0.053 0.000 1.081 247 A HN 0.626 nan 8.150 nan 0.000 0.509 248 G N 0.508 109.216 108.800 -0.152 0.000 2.341 248 G HA2 0.448 4.408 3.960 -0.000 0.000 0.299 248 G HA3 0.448 4.408 3.960 -0.000 0.000 0.299 248 G C -0.307 174.509 174.900 -0.140 0.000 1.274 248 G CA 0.044 44.821 45.100 -0.538 0.000 0.853 248 G HN 1.598 nan 8.290 nan 0.000 0.493 249 H N -0.872 118.078 119.070 -0.199 0.000 2.604 249 H HA 0.041 4.597 4.556 -0.000 0.000 0.324 249 H C 0.508 175.964 175.328 0.212 0.000 1.068 249 H CA 1.013 57.149 56.048 0.148 0.000 1.091 249 H CB -0.992 28.958 29.762 0.313 0.000 1.611 249 H HN 1.402 nan 8.280 nan 0.000 0.387 250 A N 2.038 125.008 122.820 0.250 0.000 2.269 250 A HA 0.760 5.080 4.320 -0.000 0.000 0.319 250 A C 0.138 177.958 177.584 0.393 0.000 1.110 250 A CA 0.107 52.324 52.037 0.299 0.000 0.847 250 A CB 1.151 20.269 19.000 0.198 0.000 1.161 250 A HN 0.856 nan 8.150 nan 0.000 0.497 251 S N -0.262 115.645 115.700 0.346 0.000 2.569 251 S HA 0.753 5.223 4.470 -0.000 0.000 0.280 251 S C -0.803 173.962 174.600 0.275 0.000 1.111 251 S CA -0.588 57.819 58.200 0.344 0.000 0.887 251 S CB 1.002 64.332 63.200 0.217 0.000 1.095 251 S HN 0.564 nan 8.310 nan 0.000 0.476 252 I N 1.785 122.487 120.570 0.221 0.000 2.412 252 I HA 0.585 4.755 4.170 -0.000 0.000 0.296 252 I C -0.742 175.482 176.117 0.178 0.000 0.987 252 I CA -1.111 60.230 61.300 0.067 0.000 1.180 252 I CB 1.862 39.657 38.000 -0.342 0.000 1.340 252 I HN 0.494 nan 8.210 nan 0.000 0.455 253 V N 5.901 125.985 119.914 0.283 0.000 2.604 253 V HA 0.395 4.515 4.120 -0.000 0.000 0.305 253 V C -1.062 175.165 176.094 0.222 0.000 1.043 253 V CA -0.442 62.042 62.300 0.307 0.000 0.888 253 V CB 1.906 33.956 31.823 0.378 0.000 0.995 253 V HN 0.684 nan 8.190 nan 0.000 0.429 254 H N 3.976 122.958 119.070 -0.146 0.000 2.541 254 H HA 0.600 5.156 4.556 -0.000 0.000 0.316 254 H C 0.153 175.357 175.328 -0.206 0.000 1.043 254 H CA -0.011 55.641 56.048 -0.660 0.000 1.232 254 H CB 1.295 30.385 29.762 -1.121 0.000 1.406 254 H HN 0.852 nan 8.280 nan 0.000 0.469 255 T N 1.602 116.063 114.554 -0.155 0.000 2.882 255 T HA 0.037 4.387 4.350 -0.000 0.000 0.287 255 T C 1.692 176.243 174.700 -0.248 0.000 1.014 255 T CA -0.401 61.693 62.100 -0.011 0.000 1.049 255 T CB 0.516 69.393 68.868 0.015 0.000 1.001 255 T HN 0.841 nan 8.240 nan 0.000 0.525 256 H N 0.674 119.729 119.070 -0.024 0.000 2.541 256 H HA -0.075 4.480 4.556 -0.000 0.000 0.289 256 H C 1.153 176.442 175.328 -0.065 0.000 1.054 256 H CA 1.491 57.489 56.048 -0.084 0.000 1.250 256 H CB -0.995 28.750 29.762 -0.029 0.000 1.369 256 H HN 0.773 nan 8.280 nan 0.000 0.578 257 T N -2.131 112.134 114.554 -0.482 0.000 3.163 257 T HA 0.069 4.419 4.350 -0.000 0.000 0.252 257 T C 0.191 174.821 174.700 -0.117 0.000 1.056 257 T CA 0.233 62.167 62.100 -0.276 0.000 0.947 257 T CB -0.352 68.336 68.868 -0.299 0.000 1.016 257 T HN 0.299 nan 8.240 nan 0.000 0.554 258 D N 0.963 121.270 120.400 -0.155 0.000 2.699 258 D HA -0.154 4.486 4.640 -0.000 0.000 0.239 258 D C -0.449 175.917 176.300 0.111 0.000 1.136 258 D CA 0.828 54.832 54.000 0.006 0.000 0.668 258 D CB -1.282 39.568 40.800 0.083 0.000 1.060 258 D HN 0.793 nan 8.370 nan 0.000 0.429 259 E N -0.824 119.395 120.200 0.032 0.000 2.359 259 E HA 0.680 5.030 4.350 -0.000 0.000 0.266 259 E C -0.645 175.954 176.600 -0.002 0.000 0.920 259 E CA -0.907 55.547 56.400 0.091 0.000 0.788 259 E CB 1.079 30.869 29.700 0.149 0.000 1.279 259 E HN 0.141 nan 8.360 nan 0.000 0.438 260 W N 1.199 122.441 121.300 -0.096 0.000 2.739 260 W HA 0.520 5.180 4.660 -0.000 0.000 0.331 260 W C -1.074 175.154 176.519 -0.485 0.000 1.049 260 W CA -0.340 56.975 57.345 -0.049 0.000 1.234 260 W CB 0.956 30.474 29.460 0.097 0.000 1.404 260 W HN 0.346 nan 8.180 nan 0.000 0.477 261 F N 2.737 122.868 119.950 0.301 0.000 2.603 261 F HA 0.639 5.165 4.527 -0.000 0.000 0.317 261 F C -0.825 175.087 175.800 0.186 0.000 1.066 261 F CA -1.314 56.802 58.000 0.193 0.000 0.941 261 F CB 1.601 40.675 39.000 0.125 0.000 1.291 261 F HN -0.034 nan 8.300 nan 0.000 0.472 262 L N 3.462 124.887 121.223 0.337 0.000 2.343 262 L HA 0.742 5.082 4.340 -0.000 0.000 0.278 262 L C -0.903 176.136 176.870 0.283 0.000 0.996 262 L CA -0.737 54.256 54.840 0.254 0.000 0.831 262 L CB 1.457 43.612 42.059 0.160 0.000 1.232 262 L HN 0.460 nan 8.230 nan 0.000 0.413 263 V N 2.031 122.089 119.914 0.240 0.000 2.617 263 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 263 V C -0.534 175.693 176.094 0.222 0.000 1.048 263 V CA -0.012 62.382 62.300 0.157 0.000 0.964 263 V CB 1.232 33.089 31.823 0.056 0.000 1.004 263 V HN 1.053 nan 8.190 nan 0.000 0.466 264 H N 2.666 121.784 119.070 0.080 0.000 2.990 264 H HA 0.774 5.330 4.556 -0.000 0.000 0.336 264 H C -0.889 174.493 175.328 0.089 0.000 1.306 264 H CA -1.027 55.084 56.048 0.105 0.000 1.118 264 H CB 1.272 31.084 29.762 0.082 0.000 1.856 264 H HN 0.942 nan 8.280 nan 0.000 0.538 265 L N -0.800 120.562 121.223 0.232 0.000 2.399 265 L HA 0.864 5.204 4.340 -0.000 0.000 0.265 265 L C -0.009 177.024 176.870 0.272 0.000 1.089 265 L CA -0.236 54.705 54.840 0.168 0.000 0.802 265 L CB 1.555 43.740 42.059 0.209 0.000 1.180 265 L HN 0.942 nan 8.230 nan 0.000 0.454 266 T N 0.370 115.027 114.554 0.173 0.000 2.942 266 T HA 0.707 5.057 4.350 -0.000 0.000 0.327 266 T C -0.715 174.074 174.700 0.149 0.000 1.360 266 T CA -0.075 62.147 62.100 0.203 0.000 1.055 266 T CB 1.078 70.072 68.868 0.211 0.000 1.261 266 T HN 1.203 nan 8.240 nan 0.000 0.485 267 G N 2.422 111.310 108.800 0.148 0.000 2.461 267 G HA2 0.640 4.599 3.960 -0.000 0.000 0.323 267 G HA3 0.640 4.599 3.960 -0.000 0.000 0.323 267 G C -1.044 173.984 174.900 0.214 0.000 1.229 267 G CA -0.788 44.401 45.100 0.149 0.000 0.941 267 G HN 0.705 nan 8.290 nan 0.000 0.477 268 R N 3.039 123.704 120.500 0.275 0.000 2.247 268 R HA 0.325 4.665 4.340 -0.000 0.000 0.329 268 R C -2.555 173.991 176.300 0.409 0.000 1.014 268 R CA -1.411 54.899 56.100 0.350 0.000 0.907 268 R CB 1.548 32.122 30.300 0.455 0.000 1.146 268 R HN 0.319 nan 8.270 nan 0.000 0.499 269 P HA -0.069 nan 4.420 nan 0.000 0.267 269 P C -0.138 177.265 177.300 0.171 0.000 1.200 269 P CA -0.037 63.232 63.100 0.282 0.000 0.772 269 P CB 0.610 32.443 31.700 0.221 0.000 0.855 270 L N 4.594 125.935 121.223 0.195 0.000 2.492 270 L HA 0.097 4.436 4.340 -0.000 0.000 0.280 270 L C -1.658 175.204 176.870 -0.013 0.000 1.240 270 L CA -1.380 53.478 54.840 0.030 0.000 0.831 270 L CB -0.640 41.525 42.059 0.177 0.000 1.100 270 L HN 0.309 nan 8.230 nan 0.000 0.505 271 P HA 0.006 nan 4.420 nan 0.000 0.264 271 P C -0.815 176.487 177.300 0.004 0.000 1.183 271 P CA 0.212 63.287 63.100 -0.042 0.000 0.763 271 P CB 0.290 31.963 31.700 -0.045 0.000 0.807 272 R N 0.190 120.694 120.500 0.006 0.000 2.635 272 R HA 0.317 4.657 4.340 -0.000 0.000 0.393 272 R C -0.688 175.610 176.300 -0.002 0.000 1.070 272 R CA -0.605 55.501 56.100 0.011 0.000 1.118 272 R CB -0.160 30.160 30.300 0.032 0.000 1.341 272 R HN 0.168 nan 8.270 nan 0.000 0.628 273 E N 1.039 121.235 120.200 -0.006 0.000 2.529 273 E HA 0.190 4.540 4.350 -0.000 0.000 0.259 273 E C 1.223 177.817 176.600 -0.011 0.000 0.966 273 E CA 1.929 58.324 56.400 -0.009 0.000 0.937 273 E CB 0.586 30.282 29.700 -0.007 0.000 0.923 273 E HN 0.563 nan 8.360 nan 0.000 0.468 274 G N 2.617 111.410 108.800 -0.013 0.000 2.175 274 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 274 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 274 G C 0.053 174.943 174.900 -0.016 0.000 0.982 274 G CA 0.064 45.155 45.100 -0.014 0.000 0.641 274 G HN 0.466 nan 8.290 nan 0.000 0.527 275 Q N 0.558 120.349 119.800 -0.015 0.000 2.235 275 Q HA 0.524 4.864 4.340 -0.000 0.000 0.256 275 Q C -2.438 173.551 176.000 -0.018 0.000 0.951 275 Q CA -1.949 53.845 55.803 -0.014 0.000 0.890 275 Q CB 1.215 29.949 28.738 -0.008 0.000 1.279 275 Q HN 0.132 nan 8.270 nan 0.000 0.444 276 P HA -0.091 nan 4.420 nan 0.000 0.263 276 P C 0.156 177.433 177.300 -0.039 0.000 1.195 276 P CA 0.007 63.092 63.100 -0.025 0.000 0.762 276 P CB 0.473 32.161 31.700 -0.019 0.000 0.799 277 L N 4.530 125.723 121.223 -0.050 0.000 2.043 277 L HA -0.187 4.152 4.340 -0.000 0.000 0.212 277 L C 1.501 178.309 176.870 -0.104 0.000 1.075 277 L CA 2.031 56.829 54.840 -0.071 0.000 0.752 277 L CB -0.477 41.539 42.059 -0.072 0.000 0.891 277 L HN 0.423 nan 8.230 nan 0.000 0.432 278 L N -2.060 119.105 121.223 -0.096 0.000 2.609 278 L HA 0.101 4.441 4.340 -0.000 0.000 0.230 278 L C 2.153 178.966 176.870 -0.095 0.000 1.087 278 L CA 0.041 54.809 54.840 -0.119 0.000 0.874 278 L CB -0.053 41.943 42.059 -0.106 0.000 1.114 278 L HN 0.178 nan 8.230 nan 0.000 0.488 279 E N 0.468 120.636 120.200 -0.054 0.000 2.038 279 E HA -0.175 4.174 4.350 -0.000 0.000 0.195 279 E C 0.693 177.298 176.600 0.007 0.000 1.000 279 E CA 1.397 57.789 56.400 -0.013 0.000 0.803 279 E CB 0.197 29.902 29.700 0.007 0.000 0.750 279 E HN 0.217 nan 8.360 nan 0.000 0.448 280 H N -0.982 118.015 119.070 -0.122 0.000 2.840 280 H HA 0.346 4.902 4.556 -0.000 0.000 0.340 280 H C -0.178 174.973 175.328 -0.296 0.000 1.004 280 H CA -0.491 55.446 56.048 -0.184 0.000 1.288 280 H CB 0.864 30.546 29.762 -0.134 0.000 1.607 280 H HN 0.032 nan 8.280 nan 0.000 0.522 281 R N 2.546 122.568 120.500 -0.797 0.000 2.313 281 R HA 0.221 4.561 4.340 -0.000 0.000 0.199 281 R C 0.457 176.352 176.300 -0.674 0.000 0.958 281 R CA 0.530 56.116 56.100 -0.857 0.000 1.047 281 R CB 0.543 30.071 30.300 -1.288 0.000 0.955 281 R HN 0.810 nan 8.270 nan 0.000 0.481 282 G N -0.445 108.121 108.800 -0.389 0.000 2.347 282 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.477 282 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.477 282 G C -1.840 173.065 174.900 0.009 0.000 1.349 282 G CA -1.058 44.043 45.100 0.001 0.000 1.000 282 G HN 0.074 nan 8.290 nan 0.000 0.605 283 Y N -0.858 119.638 120.300 0.327 0.000 2.350 283 Y HA 0.554 5.103 4.550 -0.000 0.000 0.338 283 Y C 0.466 176.552 175.900 0.310 0.000 0.961 283 Y CA -0.682 57.619 58.100 0.334 0.000 1.100 283 Y CB 2.193 40.844 38.460 0.318 0.000 1.179 283 Y HN 0.684 nan 8.280 nan 0.000 0.454 284 C N 5.596 125.141 119.300 0.408 0.000 2.357 284 C HA 0.228 4.687 4.460 -0.000 0.000 0.300 284 C C -1.235 173.925 174.990 0.284 0.000 1.074 284 C CA -1.433 57.796 59.018 0.351 0.000 1.566 284 C CB 0.143 28.043 27.740 0.267 0.000 1.791 284 C HN 0.658 nan 8.230 nan 0.000 0.415 285 P HA -0.052 nan 4.420 nan 0.000 0.225 285 P C 0.973 178.332 177.300 0.098 0.000 1.156 285 P CA 1.112 64.303 63.100 0.153 0.000 0.787 285 P CB 0.261 32.080 31.700 0.197 0.000 0.802 286 L N -1.526 119.776 121.223 0.132 0.000 2.599 286 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 286 L C 1.582 178.500 176.870 0.080 0.000 1.141 286 L CA 0.395 55.259 54.840 0.041 0.000 0.877 286 L CB -1.202 40.779 42.059 -0.130 0.000 1.009 286 L HN 0.102 nan 8.230 nan 0.000 0.447 287 G N 1.271 110.152 108.800 0.134 0.000 2.539 287 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 287 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 287 G C -0.102 174.891 174.900 0.154 0.000 1.233 287 G CA -0.343 44.852 45.100 0.160 0.000 0.936 287 G HN 0.350 nan 8.290 nan 0.000 0.571 288 R N 1.172 121.781 120.500 0.182 0.000 2.255 288 R HA 0.527 4.866 4.340 -0.000 0.000 0.326 288 R C 0.033 176.412 176.300 0.132 0.000 0.986 288 R CA -0.384 55.807 56.100 0.151 0.000 0.847 288 R CB 1.413 31.805 30.300 0.153 0.000 1.111 288 R HN 0.626 nan 8.270 nan 0.000 0.452 289 E N 0.725 120.974 120.200 0.083 0.000 2.243 289 E HA 0.310 4.660 4.350 -0.000 0.000 0.260 289 E C -0.574 175.996 176.600 -0.050 0.000 0.985 289 E CA -0.816 55.597 56.400 0.023 0.000 0.858 289 E CB 1.763 31.461 29.700 -0.003 0.000 1.210 289 E HN 0.285 nan 8.360 nan 0.000 0.411 290 T N 0.952 115.409 114.554 -0.161 0.000 2.767 290 T HA 0.573 4.922 4.350 -0.000 0.000 0.284 290 T C -0.664 173.841 174.700 -0.324 0.000 0.973 290 T CA -0.474 61.470 62.100 -0.261 0.000 0.996 290 T CB 1.078 69.733 68.868 -0.356 0.000 0.927 290 T HN 0.499 nan 8.240 nan 0.000 0.456 291 A N 3.352 125.907 122.820 -0.441 0.000 2.387 291 A HA 0.934 5.254 4.320 -0.000 0.000 0.303 291 A C -1.073 176.285 177.584 -0.376 0.000 1.145 291 A CA -0.851 50.919 52.037 -0.444 0.000 0.801 291 A CB 1.178 19.864 19.000 -0.522 0.000 1.342 291 A HN 0.853 nan 8.150 nan 0.000 0.440 292 I N -0.175 120.325 120.570 -0.117 0.000 2.569 292 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 292 I C -1.306 174.934 176.117 0.206 0.000 1.088 292 I CA -0.472 60.868 61.300 0.067 0.000 1.047 292 I CB 1.888 39.916 38.000 0.047 0.000 1.237 292 I HN 0.630 nan 8.210 nan 0.000 0.421 293 Q N 5.933 125.913 119.800 0.299 0.000 2.399 293 Q HA 0.504 4.844 4.340 -0.000 0.000 0.276 293 Q C -1.063 175.129 176.000 0.320 0.000 1.098 293 Q CA -0.780 55.183 55.803 0.266 0.000 0.827 293 Q CB 2.575 31.425 28.738 0.187 0.000 1.386 293 Q HN 0.632 nan 8.270 nan 0.000 0.443 294 R N 0.993 121.614 120.500 0.203 0.000 2.428 294 R HA 0.625 4.965 4.340 -0.000 0.000 0.294 294 R C -0.766 175.475 176.300 -0.098 0.000 1.000 294 R CA -0.319 55.760 56.100 -0.035 0.000 0.960 294 R CB 0.663 30.930 30.300 -0.056 0.000 1.076 294 R HN 0.518 nan 8.270 nan 0.000 0.475 295 L N 3.129 124.237 121.223 -0.192 0.000 2.330 295 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 295 L C -0.085 176.702 176.870 -0.138 0.000 1.013 295 L CA -0.640 54.105 54.840 -0.158 0.000 0.816 295 L CB 1.813 43.761 42.059 -0.185 0.000 1.287 295 L HN 0.751 nan 8.230 nan 0.000 0.435 296 E N 0.696 120.799 120.200 -0.162 0.000 2.392 296 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 296 E C -1.979 174.499 176.600 -0.204 0.000 0.924 296 E CA -0.868 55.491 56.400 -0.068 0.000 0.784 296 E CB 1.831 31.529 29.700 -0.004 0.000 1.292 296 E HN 0.386 nan 8.360 nan 0.000 0.447 297 W N 0.892 122.150 121.300 -0.070 0.000 2.606 297 W HA 0.528 5.188 4.660 -0.000 0.000 0.332 297 W C -0.240 176.274 176.519 -0.008 0.000 1.052 297 W CA -0.616 56.691 57.345 -0.063 0.000 1.223 297 W CB 1.899 31.232 29.460 -0.212 0.000 1.383 297 W HN 0.475 nan 8.180 nan 0.000 0.524 298 K N 2.753 123.323 120.400 0.284 0.000 2.616 298 K HA 0.121 4.441 4.320 -0.000 0.000 0.255 298 K C -0.814 175.932 176.600 0.243 0.000 0.995 298 K CA -0.360 56.009 56.287 0.138 0.000 0.860 298 K CB 0.894 33.306 32.500 -0.148 0.000 1.264 298 K HN 0.572 nan 8.250 nan 0.000 0.451 299 D N 3.505 124.008 120.400 0.171 0.000 2.708 299 D HA -0.187 4.452 4.640 -0.000 0.000 0.236 299 D C 0.597 176.972 176.300 0.125 0.000 1.146 299 D CA 2.003 56.099 54.000 0.159 0.000 0.662 299 D CB -1.026 39.882 40.800 0.179 0.000 1.059 299 D HN 1.155 nan 8.370 nan 0.000 0.428 300 G N -1.423 107.453 108.800 0.127 0.000 2.148 300 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.254 300 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.254 300 G C -0.067 174.791 174.900 -0.070 0.000 0.981 300 G CA 0.446 45.549 45.100 0.005 0.000 0.670 300 G HN 0.375 nan 8.290 nan 0.000 0.528 301 W N 0.769 122.221 121.300 0.253 0.000 2.785 301 W HA 0.576 5.236 4.660 -0.000 0.000 0.333 301 W C -2.081 174.238 176.519 -0.334 0.000 1.062 301 W CA -2.571 54.740 57.345 -0.057 0.000 1.233 301 W CB 2.171 31.393 29.460 -0.397 0.000 1.413 301 W HN -0.052 nan 8.180 nan 0.000 0.489 302 P HA 0.215 nan 4.420 nan 0.000 0.282 302 P C -1.491 175.538 177.300 -0.452 0.000 1.249 302 P CA -0.099 62.325 63.100 -1.127 0.000 0.806 302 P CB 1.206 32.004 31.700 -1.503 0.000 0.984 303 Y N -0.011 120.074 120.300 -0.358 0.000 2.406 303 Y HA 0.230 4.780 4.550 -0.000 0.000 0.340 303 Y C 0.274 176.061 175.900 -0.188 0.000 0.975 303 Y CA -1.235 56.768 58.100 -0.162 0.000 1.056 303 Y CB 2.122 40.536 38.460 -0.076 0.000 1.210 303 Y HN 0.032 nan 8.280 nan 0.000 0.448 304 V N 4.863 124.753 119.914 -0.039 0.000 2.485 304 V HA 0.011 4.131 4.120 -0.000 0.000 0.287 304 V C 0.143 176.238 176.094 0.002 0.000 1.022 304 V CA -0.447 61.829 62.300 -0.040 0.000 1.067 304 V CB 0.275 32.059 31.823 -0.064 0.000 0.967 304 V HN 0.506 nan 8.190 nan 0.000 0.479 305 V N 5.002 124.911 119.914 -0.008 0.000 2.599 305 V HA 0.407 4.527 4.120 -0.000 0.000 0.300 305 V C 1.243 177.335 176.094 -0.004 0.000 1.034 305 V CA 1.064 63.362 62.300 -0.002 0.000 1.115 305 V CB 0.341 32.161 31.823 -0.005 0.000 0.934 305 V HN 1.323 nan 8.190 nan 0.000 0.485 306 G N 3.286 112.081 108.800 -0.008 0.000 2.248 306 G HA2 0.265 4.225 3.960 -0.000 0.000 0.252 306 G HA3 0.265 4.225 3.960 -0.000 0.000 0.252 306 G C 0.628 175.499 174.900 -0.049 0.000 1.085 306 G CA 0.005 45.090 45.100 -0.024 0.000 0.845 306 G HN 2.336 nan 8.290 nan 0.000 0.494 307 G N -0.116 108.671 108.800 -0.020 0.000 2.855 307 G HA2 0.087 4.046 3.960 -0.000 0.000 0.352 307 G HA3 0.087 4.046 3.960 -0.000 0.000 0.352 307 G C 0.594 175.476 174.900 -0.030 0.000 1.415 307 G CA 0.420 45.513 45.100 -0.011 0.000 0.871 307 G HN 1.980 nan 8.290 nan 0.000 0.543 308 N N 0.445 119.153 118.700 0.013 0.000 2.398 308 N HA 0.269 5.009 4.740 -0.000 0.000 0.188 308 N C 1.009 176.509 175.510 -0.016 0.000 1.122 308 N CA 1.255 54.305 53.050 0.000 0.000 0.866 308 N CB -0.069 38.427 38.487 0.015 0.000 0.970 308 N HN 1.218 nan 8.380 nan 0.000 0.462 309 G N 0.926 109.591 108.800 -0.225 0.000 2.476 309 G HA2 0.432 4.391 3.960 -0.000 0.000 0.286 309 G HA3 0.432 4.391 3.960 -0.000 0.000 0.286 309 G C -2.701 172.052 174.900 -0.244 0.000 1.177 309 G CA -1.204 43.655 45.100 -0.402 0.000 0.870 309 G HN 0.136 nan 8.290 nan 0.000 0.528 310 P HA 0.207 nan 4.420 nan 0.000 0.276 310 P C -0.276 177.009 177.300 -0.026 0.000 1.230 310 P CA -0.191 62.877 63.100 -0.054 0.000 0.776 310 P CB 1.455 33.175 31.700 0.034 0.000 0.888 311 S N 2.033 117.746 115.700 0.021 0.000 2.585 311 S HA 0.164 4.634 4.470 -0.000 0.000 0.277 311 S C 1.245 175.884 174.600 0.065 0.000 1.241 311 S CA -0.463 57.752 58.200 0.026 0.000 1.041 311 S CB 0.710 63.927 63.200 0.030 0.000 0.987 311 S HN 0.408 nan 8.310 nan 0.000 0.512 312 L N 2.463 123.717 121.223 0.051 0.000 2.131 312 L HA 0.289 4.629 4.340 -0.000 0.000 0.206 312 L C 0.720 177.626 176.870 0.059 0.000 1.087 312 L CA 1.574 56.452 54.840 0.062 0.000 0.767 312 L CB -0.072 42.020 42.059 0.055 0.000 0.917 312 L HN 0.708 nan 8.230 nan 0.000 0.441 313 E N -0.110 120.122 120.200 0.052 0.000 2.234 313 E HA 0.487 4.836 4.350 -0.000 0.000 0.266 313 E C -1.096 175.540 176.600 0.061 0.000 0.877 313 E CA -0.650 55.781 56.400 0.052 0.000 0.758 313 E CB 1.569 31.294 29.700 0.041 0.000 1.170 313 E HN 0.263 nan 8.360 nan 0.000 0.415 314 I N -0.261 120.354 120.570 0.075 0.000 3.108 314 I HA 0.569 4.739 4.170 -0.000 0.000 0.312 314 I C -0.922 175.256 176.117 0.101 0.000 1.095 314 I CA -1.021 60.340 61.300 0.103 0.000 1.000 314 I CB 2.193 40.288 38.000 0.159 0.000 1.229 314 I HN 0.227 nan 8.210 nan 0.000 0.454 315 D N 3.203 123.682 120.400 0.131 0.000 2.313 315 D HA 0.354 4.994 4.640 -0.000 0.000 0.239 315 D C 0.278 176.702 176.300 0.208 0.000 1.142 315 D CA 0.172 54.248 54.000 0.127 0.000 0.847 315 D CB 1.802 42.668 40.800 0.109 0.000 1.082 315 D HN 0.850 nan 8.370 nan 0.000 0.480 316 G N 2.720 111.573 108.800 0.088 0.000 2.621 316 G HA2 0.346 4.306 3.960 -0.000 0.000 0.271 316 G HA3 0.346 4.306 3.960 -0.000 0.000 0.271 316 G C -2.268 172.671 174.900 0.065 0.000 1.236 316 G CA -0.758 44.322 45.100 -0.033 0.000 0.958 316 G HN 0.269 nan 8.290 nan 0.000 0.512 317 P HA 0.195 nan 4.420 nan 0.000 0.276 317 P C -0.160 177.130 177.300 -0.017 0.000 1.244 317 P CA -0.384 62.745 63.100 0.050 0.000 0.801 317 P CB 1.216 32.855 31.700 -0.100 0.000 1.006 318 S N 0.477 116.180 115.700 0.005 0.000 4.051 318 S HA 0.231 4.701 4.470 -0.000 0.000 0.215 318 S C 0.513 175.103 174.600 -0.018 0.000 1.289 318 S CA -0.358 57.839 58.200 -0.005 0.000 0.907 318 S CB -1.529 61.676 63.200 0.009 0.000 1.603 318 S HN 0.329 nan 8.310 nan 0.000 0.453 319 V N -0.766 119.131 119.914 -0.028 0.000 3.102 319 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 319 V C -0.217 175.856 176.094 -0.035 0.000 1.135 319 V CA -1.340 60.958 62.300 -0.003 0.000 1.022 319 V CB 1.475 33.310 31.823 0.021 0.000 1.056 319 V HN 0.153 nan 8.190 nan 0.000 0.436 320 E N 1.620 121.801 120.200 -0.032 0.000 2.376 320 E HA 0.113 4.463 4.350 -0.000 0.000 0.266 320 E C -0.084 176.450 176.600 -0.110 0.000 1.009 320 E CA 0.290 56.652 56.400 -0.064 0.000 0.902 320 E CB 1.053 30.718 29.700 -0.058 0.000 0.972 320 E HN 0.882 nan 8.360 nan 0.000 0.439 321 E N 1.946 122.069 120.200 -0.129 0.000 2.376 321 E HA 0.096 4.446 4.350 -0.000 0.000 0.266 321 E C -1.020 175.429 176.600 -0.250 0.000 1.009 321 E CA -0.205 56.084 56.400 -0.185 0.000 0.902 321 E CB 0.658 30.262 29.700 -0.160 0.000 0.972 321 E HN 0.062 nan 8.360 nan 0.000 0.439 322 V N 4.771 124.461 119.914 -0.374 0.000 2.325 322 V HA 0.169 4.288 4.120 -0.000 0.000 0.280 322 V C -0.347 175.214 176.094 -0.888 0.000 1.016 322 V CA -0.682 61.271 62.300 -0.578 0.000 0.818 322 V CB 1.329 32.781 31.823 -0.619 0.000 1.019 322 V HN 0.632 nan 8.190 nan 0.000 0.434 323 S N 3.664 118.966 115.700 -0.664 0.000 2.601 323 S HA 0.560 5.029 4.470 -0.000 0.000 0.271 323 S C -0.696 173.500 174.600 -0.673 0.000 1.305 323 S CA -0.412 57.436 58.200 -0.587 0.000 1.022 323 S CB 0.811 63.851 63.200 -0.266 0.000 0.940 323 S HN 0.639 nan 8.310 nan 0.000 0.525 324 W N 0.939 122.238 121.300 -0.002 0.000 2.627 324 W HA 0.444 5.103 4.660 -0.000 0.000 0.339 324 W C 0.401 176.941 176.519 0.036 0.000 1.058 324 W CA -0.876 56.485 57.345 0.028 0.000 1.223 324 W CB 0.563 30.059 29.460 0.060 0.000 1.389 324 W HN 0.601 nan 8.180 nan 0.000 0.541 325 E N 2.766 123.142 120.200 0.294 0.000 2.392 325 E HA -0.004 4.345 4.350 -0.000 0.000 0.264 325 E C 0.075 176.781 176.600 0.178 0.000 1.024 325 E CA -0.398 56.104 56.400 0.170 0.000 0.903 325 E CB 0.671 30.448 29.700 0.128 0.000 0.963 325 E HN 0.331 nan 8.360 nan 0.000 0.432 326 K N 2.496 122.960 120.400 0.107 0.000 2.511 326 K HA -0.097 4.223 4.320 -0.000 0.000 0.280 326 K C -0.033 176.633 176.600 0.110 0.000 1.008 326 K CA 0.452 56.790 56.287 0.085 0.000 1.050 326 K CB 0.352 32.819 32.500 -0.055 0.000 0.889 326 K HN 0.480 nan 8.250 nan 0.000 0.484 327 D N 3.413 123.957 120.400 0.239 0.000 2.424 327 D HA 0.024 4.664 4.640 -0.000 0.000 0.220 327 D C -0.574 175.924 176.300 0.330 0.000 1.150 327 D CA -0.070 54.086 54.000 0.259 0.000 0.831 327 D CB -0.316 40.694 40.800 0.350 0.000 0.981 327 D HN 0.473 nan 8.370 nan 0.000 0.500 328 Y N -2.159 118.226 120.300 0.141 0.000 2.581 328 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 328 Y C -1.469 174.473 175.900 0.070 0.000 1.108 328 Y CA -1.489 56.675 58.100 0.107 0.000 1.033 328 Y CB 0.916 39.480 38.460 0.173 0.000 1.318 328 Y HN -0.371 nan 8.280 nan 0.000 0.459 329 D N 2.678 123.101 120.400 0.038 0.000 2.264 329 D HA 0.075 4.715 4.640 -0.000 0.000 0.250 329 D C 0.834 177.128 176.300 -0.010 0.000 1.113 329 D CA -0.021 53.941 54.000 -0.064 0.000 0.871 329 D CB 1.953 42.753 40.800 0.000 0.000 1.167 329 D HN 0.962 nan 8.370 nan 0.000 0.447 330 E N 2.772 122.891 120.200 -0.135 0.000 2.065 330 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 330 E C 0.254 176.892 176.600 0.062 0.000 1.016 330 E CA 1.261 57.657 56.400 -0.005 0.000 0.818 330 E CB 0.259 29.912 29.700 -0.078 0.000 0.749 330 E HN 0.216 nan 8.360 nan 0.000 0.453 331 K N 1.300 121.688 120.400 -0.021 0.000 2.354 331 K HA 0.051 4.371 4.320 -0.000 0.000 0.257 331 K C -1.340 175.237 176.600 -0.038 0.000 1.062 331 K CA -0.489 55.762 56.287 -0.059 0.000 0.971 331 K CB 0.912 33.286 32.500 -0.209 0.000 1.305 331 K HN -0.051 nan 8.250 nan 0.000 0.449 332 D N 3.427 123.840 120.400 0.022 0.000 2.344 332 D HA 0.011 4.651 4.640 -0.000 0.000 0.253 332 D C 0.003 176.133 176.300 -0.283 0.000 1.255 332 D CA 0.043 53.990 54.000 -0.087 0.000 0.894 332 D CB 0.919 41.696 40.800 -0.039 0.000 1.067 332 D HN 0.491 nan 8.370 nan 0.000 0.492 333 D N 3.181 123.496 120.400 -0.141 0.000 2.349 333 D HA -0.069 4.571 4.640 -0.000 0.000 0.224 333 D C 0.322 176.652 176.300 0.051 0.000 1.029 333 D CA 0.022 53.992 54.000 -0.049 0.000 0.879 333 D CB -0.060 40.740 40.800 0.000 0.000 0.906 333 D HN 0.412 nan 8.370 nan 0.000 0.528 334 F N 0.451 120.497 119.950 0.159 0.000 3.071 334 F HA -0.209 4.317 4.527 -0.000 0.000 0.295 334 F C 0.914 176.773 175.800 0.098 0.000 0.919 334 F CA -0.103 57.977 58.000 0.133 0.000 1.050 334 F CB -2.020 37.058 39.000 0.129 0.000 1.040 334 F HN 0.017 nan 8.300 nan 0.000 0.692 335 D N -0.601 119.931 120.400 0.221 0.000 2.354 335 D HA 0.147 4.786 4.640 -0.000 0.000 0.209 335 D C 1.748 178.130 176.300 0.136 0.000 1.015 335 D CA 1.009 55.102 54.000 0.155 0.000 0.867 335 D CB 0.164 41.026 40.800 0.103 0.000 0.933 335 D HN 0.446 nan 8.370 nan 0.000 0.520 336 G N 1.180 110.073 108.800 0.154 0.000 2.599 336 G HA2 0.086 4.046 3.960 -0.000 0.000 0.264 336 G HA3 0.086 4.046 3.960 -0.000 0.000 0.264 336 G C 0.847 175.813 174.900 0.110 0.000 1.200 336 G CA -0.343 44.828 45.100 0.119 0.000 0.896 336 G HN -0.012 nan 8.290 nan 0.000 0.536 337 D N -1.572 118.874 120.400 0.076 0.000 2.249 337 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 337 D C 1.097 177.431 176.300 0.057 0.000 0.962 337 D CA 1.219 55.254 54.000 0.059 0.000 0.860 337 D CB -0.174 40.650 40.800 0.040 0.000 0.955 337 D HN 0.443 nan 8.370 nan 0.000 0.505 338 T N -1.803 112.790 114.554 0.065 0.000 2.900 338 T HA 0.540 4.890 4.350 -0.000 0.000 0.295 338 T C -0.069 174.695 174.700 0.107 0.000 1.044 338 T CA -0.964 61.174 62.100 0.063 0.000 0.995 338 T CB 2.147 71.038 68.868 0.038 0.000 1.072 338 T HN -0.039 nan 8.240 nan 0.000 0.473 339 L N 2.974 124.267 121.223 0.116 0.000 2.490 339 L HA 0.186 4.526 4.340 -0.000 0.000 0.274 339 L C 1.424 178.446 176.870 0.254 0.000 1.201 339 L CA -0.467 54.506 54.840 0.221 0.000 0.869 339 L CB 0.295 42.441 42.059 0.145 0.000 1.123 339 L HN 0.774 nan 8.230 nan 0.000 0.484 340 N N 2.547 121.466 118.700 0.364 0.000 2.353 340 N HA -0.127 4.613 4.740 -0.000 0.000 0.248 340 N C 1.092 176.675 175.510 0.121 0.000 1.240 340 N CA 0.102 53.248 53.050 0.160 0.000 0.862 340 N CB 0.517 39.074 38.487 0.118 0.000 1.086 340 N HN 0.721 nan 8.380 nan 0.000 0.453 341 H N 1.949 120.938 119.070 -0.135 0.000 2.567 341 H HA 0.001 4.557 4.556 -0.000 0.000 0.276 341 H C 0.392 175.516 175.328 -0.339 0.000 1.016 341 H CA 0.301 56.216 56.048 -0.222 0.000 1.186 341 H CB 0.021 29.619 29.762 -0.273 0.000 1.351 341 H HN 0.578 nan 8.280 nan 0.000 0.605 342 H N 0.267 119.317 119.070 -0.034 0.000 2.548 342 H HA 0.039 4.595 4.556 -0.000 0.000 0.268 342 H C -0.222 174.894 175.328 -0.353 0.000 0.975 342 H CA -0.003 55.853 56.048 -0.320 0.000 1.195 342 H CB -0.043 29.408 29.762 -0.518 0.000 1.397 342 H HN 0.260 nan 8.280 nan 0.000 0.572 343 F N 1.948 121.878 119.950 -0.032 0.000 2.427 343 F HA 0.252 4.779 4.527 -0.000 0.000 0.352 343 F C 0.780 176.551 175.800 -0.049 0.000 1.100 343 F CA -0.225 57.722 58.000 -0.089 0.000 1.191 343 F CB 0.857 39.805 39.000 -0.085 0.000 1.128 343 F HN -0.068 nan 8.300 nan 0.000 0.533 344 Q N 0.819 120.730 119.800 0.184 0.000 2.496 344 Q HA 0.626 4.966 4.340 -0.000 0.000 0.286 344 Q C -0.576 175.551 176.000 0.212 0.000 1.103 344 Q CA -1.089 54.835 55.803 0.201 0.000 0.813 344 Q CB 2.713 31.608 28.738 0.261 0.000 1.444 344 Q HN 0.699 nan 8.270 nan 0.000 0.443 345 T N -2.273 112.436 114.554 0.259 0.000 2.930 345 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 345 T C -0.342 174.396 174.700 0.064 0.000 1.052 345 T CA -0.861 61.309 62.100 0.115 0.000 1.017 345 T CB 0.666 69.569 68.868 0.058 0.000 1.137 345 T HN 0.371 nan 8.240 nan 0.000 0.511 346 L N 2.460 123.574 121.223 -0.182 0.000 2.278 346 L HA 0.462 4.802 4.340 -0.000 0.000 0.287 346 L C 1.353 178.089 176.870 -0.224 0.000 1.072 346 L CA -0.438 54.156 54.840 -0.411 0.000 0.819 346 L CB 0.372 42.156 42.059 -0.458 0.000 1.176 346 L HN 0.887 nan 8.230 nan 0.000 0.435 347 R N 1.338 121.736 120.500 -0.170 0.000 2.248 347 R HA -0.255 4.085 4.340 -0.000 0.000 0.154 347 R C 0.065 176.226 176.300 -0.231 0.000 0.881 347 R CA 2.122 58.144 56.100 -0.132 0.000 1.877 347 R CB -1.261 28.927 30.300 -0.187 0.000 0.832 347 R HN 0.717 nan 8.270 nan 0.000 0.665 348 I N -1.283 119.082 120.570 -0.341 0.000 2.892 348 I HA 0.644 4.814 4.170 -0.000 0.000 0.306 348 I C -2.643 173.079 176.117 -0.658 0.000 1.078 348 I CA -2.866 58.055 61.300 -0.631 0.000 1.032 348 I CB 2.318 40.109 38.000 -0.348 0.000 1.229 348 I HN -0.231 nan 8.210 nan 0.000 0.435 349 P HA 0.269 nan 4.420 nan 0.000 0.275 349 P C -1.107 176.108 177.300 -0.141 0.000 1.228 349 P CA -0.077 62.871 63.100 -0.253 0.000 0.786 349 P CB 1.034 32.669 31.700 -0.109 0.000 0.927 350 L N 2.119 123.311 121.223 -0.051 0.000 2.282 350 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 350 L C 1.341 178.191 176.870 -0.032 0.000 1.033 350 L CA -0.539 54.270 54.840 -0.052 0.000 0.807 350 L CB 1.347 43.376 42.059 -0.050 0.000 1.209 350 L HN 0.451 nan 8.230 nan 0.000 0.423 351 G N 1.210 109.988 108.800 -0.038 0.000 2.588 351 G HA2 0.139 4.099 3.960 -0.000 0.000 0.281 351 G HA3 0.139 4.099 3.960 -0.000 0.000 0.281 351 G C 0.582 175.469 174.900 -0.022 0.000 1.236 351 G CA -0.353 44.729 45.100 -0.030 0.000 0.969 351 G HN 0.681 nan 8.290 nan 0.000 0.504 352 E N 0.305 120.492 120.200 -0.022 0.000 2.333 352 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 352 E C 1.921 178.504 176.600 -0.029 0.000 1.007 352 E CA 1.124 57.516 56.400 -0.012 0.000 0.845 352 E CB 0.036 29.725 29.700 -0.018 0.000 0.766 352 E HN 0.689 nan 8.360 nan 0.000 0.507 353 D N 0.020 120.374 120.400 -0.076 0.000 2.310 353 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 353 D C 1.760 177.993 176.300 -0.112 0.000 0.965 353 D CA 0.633 54.533 54.000 -0.167 0.000 0.879 353 D CB -0.076 40.635 40.800 -0.149 0.000 0.921 353 D HN 0.292 nan 8.370 nan 0.000 0.510 354 I N -0.223 120.360 120.570 0.023 0.000 3.518 354 I HA 0.231 4.401 4.170 -0.000 0.000 0.260 354 I C 0.738 176.939 176.117 0.141 0.000 1.148 354 I CA 0.068 61.429 61.300 0.102 0.000 1.440 354 I CB 0.316 38.325 38.000 0.015 0.000 1.485 354 I HN -0.053 nan 8.210 nan 0.000 0.456 355 A N 0.589 123.436 122.820 0.045 0.000 2.319 355 A HA 0.708 5.027 4.320 -0.000 0.000 0.310 355 A C -0.487 177.090 177.584 -0.012 0.000 1.152 355 A CA -0.228 51.800 52.037 -0.015 0.000 0.783 355 A CB 1.165 20.112 19.000 -0.088 0.000 1.184 355 A HN 0.125 nan 8.150 nan 0.000 0.474 356 T N 2.177 116.719 114.554 -0.020 0.000 2.993 356 T HA 0.457 4.807 4.350 -0.000 0.000 0.312 356 T C 0.016 174.688 174.700 -0.047 0.000 1.115 356 T CA -0.436 61.656 62.100 -0.014 0.000 1.027 356 T CB 0.630 69.523 68.868 0.041 0.000 1.116 356 T HN 0.441 nan 8.240 nan 0.000 0.464 357 L N 3.500 124.701 121.223 -0.036 0.000 2.592 357 L HA 0.338 4.678 4.340 -0.000 0.000 0.227 357 L C 2.102 178.991 176.870 0.031 0.000 1.127 357 L CA 0.290 55.123 54.840 -0.013 0.000 0.884 357 L CB -0.001 42.067 42.059 0.014 0.000 1.065 357 L HN 0.585 nan 8.230 nan 0.000 0.457 358 K N -0.188 120.225 120.400 0.022 0.000 2.276 358 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 358 K C 2.260 178.873 176.600 0.021 0.000 1.052 358 K CA 0.742 57.045 56.287 0.027 0.000 0.984 358 K CB 0.074 32.586 32.500 0.020 0.000 0.836 358 K HN 0.172 nan 8.250 nan 0.000 0.490 359 A N 1.426 124.252 122.820 0.010 0.000 1.883 359 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 359 A C 1.221 178.785 177.584 -0.034 0.000 1.186 359 A CA 1.275 53.303 52.037 -0.015 0.000 0.624 359 A CB -0.028 18.954 19.000 -0.029 0.000 0.822 359 A HN 0.058 nan 8.150 nan 0.000 0.444 360 R N -0.365 120.126 120.500 -0.016 0.000 2.500 360 R HA 0.338 4.678 4.340 -0.000 0.000 0.299 360 R C -3.336 173.041 176.300 0.128 0.000 1.038 360 R CA -2.276 53.821 56.100 -0.004 0.000 0.903 360 R CB 1.214 31.441 30.300 -0.121 0.000 1.177 360 R HN 0.057 nan 8.270 nan 0.000 0.455 361 P HA 0.071 nan 4.420 nan 0.000 0.264 361 P C 0.547 178.043 177.300 0.326 0.000 1.193 361 P CA 0.895 64.108 63.100 0.188 0.000 0.763 361 P CB 0.659 32.440 31.700 0.135 0.000 0.810 362 G N 1.393 110.351 108.800 0.264 0.000 2.159 362 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.256 362 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.256 362 G C -0.138 174.849 174.900 0.144 0.000 0.977 362 G CA -0.081 45.147 45.100 0.214 0.000 0.652 362 G HN 0.673 nan 8.290 nan 0.000 0.531 363 H N -1.566 117.635 119.070 0.219 0.000 2.768 363 H HA 0.658 5.213 4.556 -0.000 0.000 0.371 363 H C -0.327 174.989 175.328 -0.020 0.000 1.151 363 H CA -0.830 55.340 56.048 0.203 0.000 1.165 363 H CB 1.759 31.619 29.762 0.164 0.000 1.722 363 H HN 0.303 nan 8.280 nan 0.000 0.543 364 L N 2.137 123.241 121.223 -0.198 0.000 2.265 364 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 364 L C -0.090 176.752 176.870 -0.047 0.000 1.058 364 L CA -0.176 54.400 54.840 -0.440 0.000 0.809 364 L CB 0.394 41.741 42.059 -1.187 0.000 1.179 364 L HN 0.598 nan 8.230 nan 0.000 0.429 365 R N 5.631 126.092 120.500 -0.066 0.000 2.294 365 R HA 0.609 4.949 4.340 -0.000 0.000 0.319 365 R C -1.620 174.626 176.300 -0.089 0.000 0.984 365 R CA -0.598 55.460 56.100 -0.070 0.000 0.861 365 R CB 0.743 30.898 30.300 -0.242 0.000 1.104 365 R HN 0.780 nan 8.270 nan 0.000 0.451 366 L N 5.576 126.791 121.223 -0.012 0.000 2.298 366 L HA 0.380 4.720 4.340 -0.000 0.000 0.284 366 L C -0.964 175.876 176.870 -0.050 0.000 1.013 366 L CA -0.964 53.869 54.840 -0.012 0.000 0.824 366 L CB 1.288 43.366 42.059 0.030 0.000 1.221 366 L HN 0.622 nan 8.230 nan 0.000 0.418 367 Y N 1.537 121.871 120.300 0.057 0.000 2.393 367 Y HA 0.276 4.826 4.550 -0.000 0.000 0.338 367 Y C 1.325 177.247 175.900 0.036 0.000 1.029 367 Y CA -0.103 58.052 58.100 0.092 0.000 1.239 367 Y CB 1.096 39.587 38.460 0.052 0.000 1.170 367 Y HN 0.647 nan 8.280 nan 0.000 0.515 368 G N 4.580 113.477 108.800 0.162 0.000 2.353 368 G HA2 0.243 4.203 3.960 -0.000 0.000 0.239 368 G HA3 0.243 4.203 3.960 -0.000 0.000 0.239 368 G C 0.350 175.289 174.900 0.065 0.000 1.295 368 G CA -0.433 44.711 45.100 0.073 0.000 0.884 368 G HN 0.522 nan 8.290 nan 0.000 0.537 369 R N 1.228 121.736 120.500 0.013 0.000 2.893 369 R HA 0.323 4.663 4.340 -0.000 0.000 0.108 369 R C 0.509 176.829 176.300 0.033 0.000 0.889 369 R CA -0.618 55.493 56.100 0.017 0.000 0.627 369 R CB -0.435 29.864 30.300 -0.003 0.000 0.778 369 R HN 0.682 nan 8.270 nan 0.000 0.360 370 E N 1.122 121.345 120.200 0.037 0.000 2.376 370 E HA 0.166 4.516 4.350 -0.000 0.000 0.254 370 E C 0.017 176.676 176.600 0.099 0.000 1.213 370 E CA -0.275 56.164 56.400 0.065 0.000 0.945 370 E CB 0.502 30.246 29.700 0.073 0.000 1.057 370 E HN 0.461 nan 8.360 nan 0.000 0.479 371 S N -0.086 115.667 115.700 0.088 0.000 2.624 371 S HA 0.077 4.547 4.470 -0.000 0.000 0.263 371 S C 1.078 175.668 174.600 -0.017 0.000 1.287 371 S CA -0.528 57.702 58.200 0.049 0.000 0.990 371 S CB 0.348 63.590 63.200 0.069 0.000 0.950 371 S HN 0.509 nan 8.310 nan 0.000 0.561 372 L N 0.809 121.867 121.223 -0.275 0.000 2.447 372 L HA -0.051 4.289 4.340 -0.000 0.000 0.225 372 L C 2.509 179.376 176.870 -0.006 0.000 1.148 372 L CA 1.385 55.937 54.840 -0.481 0.000 0.808 372 L CB -0.933 40.246 42.059 -1.466 0.000 0.928 372 L HN 1.021 nan 8.230 nan 0.000 0.448 373 T N -5.550 109.097 114.554 0.155 0.000 3.086 373 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 373 T C 0.822 175.624 174.700 0.171 0.000 1.074 373 T CA -0.162 62.082 62.100 0.240 0.000 0.988 373 T CB 0.148 69.168 68.868 0.253 0.000 0.988 373 T HN 0.084 nan 8.240 nan 0.000 0.530 374 S N 0.905 116.693 115.700 0.145 0.000 2.489 374 S HA 0.365 4.835 4.470 -0.000 0.000 0.277 374 S C 0.795 175.456 174.600 0.102 0.000 1.230 374 S CA -0.838 57.472 58.200 0.183 0.000 1.053 374 S CB 0.515 63.829 63.200 0.190 0.000 0.955 374 S HN 0.437 nan 8.310 nan 0.000 0.488 375 R N 3.265 123.780 120.500 0.024 0.000 2.391 375 R HA 0.203 4.543 4.340 -0.000 0.000 0.249 375 R C -0.270 175.658 176.300 -0.620 0.000 0.957 375 R CA 0.265 56.175 56.100 -0.318 0.000 1.093 375 R CB 0.075 30.109 30.300 -0.444 0.000 1.156 375 R HN 0.614 nan 8.270 nan 0.000 0.526 376 F N -1.414 118.518 119.950 -0.030 0.000 2.083 376 F HA 0.217 4.744 4.527 -0.000 0.000 0.225 376 F C 0.800 176.564 175.800 -0.060 0.000 1.146 376 F CA -0.133 57.842 58.000 -0.042 0.000 1.267 376 F CB 0.258 39.242 39.000 -0.027 0.000 1.684 376 F HN -0.365 nan 8.300 nan 0.000 0.436 377 T N 2.292 116.946 114.554 0.167 0.000 2.977 377 T HA 0.366 4.716 4.350 -0.000 0.000 0.346 377 T C -0.776 173.937 174.700 0.021 0.000 1.140 377 T CA -0.523 61.606 62.100 0.048 0.000 1.040 377 T CB 0.708 69.595 68.868 0.032 0.000 1.046 377 T HN 0.081 nan 8.240 nan 0.000 0.494 378 Q N 1.674 121.464 119.800 -0.015 0.000 2.316 378 Q HA 0.610 4.950 4.340 -0.000 0.000 0.264 378 Q C -0.366 175.569 176.000 -0.107 0.000 0.987 378 Q CA -0.873 54.902 55.803 -0.046 0.000 0.852 378 Q CB 2.176 30.915 28.738 0.001 0.000 1.287 378 Q HN 0.737 nan 8.270 nan 0.000 0.448 379 A N 3.616 126.309 122.820 -0.212 0.000 2.915 379 A HA 0.331 4.650 4.320 -0.000 0.000 0.292 379 A C -1.105 176.284 177.584 -0.325 0.000 1.632 379 A CA 0.158 52.064 52.037 -0.218 0.000 1.337 379 A CB -0.561 18.336 19.000 -0.172 0.000 1.111 379 A HN 0.503 nan 8.150 nan 0.000 0.569 380 F N 2.432 122.158 119.950 -0.374 0.000 2.607 380 F HA 0.515 5.042 4.527 -0.000 0.000 0.322 380 F C -1.304 174.375 175.800 -0.201 0.000 1.176 380 F CA -1.300 56.514 58.000 -0.311 0.000 0.977 380 F CB 1.932 40.794 39.000 -0.230 0.000 1.242 380 F HN 0.096 nan 8.300 nan 0.000 0.465 381 V N 5.643 125.303 119.914 -0.423 0.000 2.407 381 V HA 0.905 5.025 4.120 -0.000 0.000 0.291 381 V C -0.431 175.298 176.094 -0.608 0.000 1.018 381 V CA -0.389 61.599 62.300 -0.520 0.000 0.842 381 V CB 1.051 32.511 31.823 -0.605 0.000 0.996 381 V HN 1.028 nan 8.190 nan 0.000 0.426 382 A N 5.480 128.051 122.820 -0.415 0.000 2.498 382 A HA 1.050 5.370 4.320 -0.000 0.000 0.298 382 A C -0.703 176.921 177.584 0.067 0.000 1.075 382 A CA -0.929 50.957 52.037 -0.253 0.000 0.714 382 A CB 2.215 20.883 19.000 -0.553 0.000 1.299 382 A HN 0.992 nan 8.150 nan 0.000 0.407 383 R N 0.281 120.771 120.500 -0.015 0.000 2.837 383 R HA 0.760 5.100 4.340 -0.000 0.000 0.271 383 R C -0.825 175.083 176.300 -0.654 0.000 0.993 383 R CA -0.844 55.059 56.100 -0.328 0.000 0.931 383 R CB 0.901 30.878 30.300 -0.539 0.000 1.206 383 R HN 0.592 nan 8.270 nan 0.000 0.474 384 R N 0.881 120.750 120.500 -1.051 0.000 2.537 384 R HA 0.065 4.405 4.340 -0.000 0.000 0.280 384 R C -0.572 175.369 176.300 -0.599 0.000 1.058 384 R CA -0.025 55.386 56.100 -1.149 0.000 1.057 384 R CB 0.346 30.092 30.300 -0.924 0.000 0.973 384 R HN 0.483 nan 8.270 nan 0.000 0.438 385 W N 2.661 123.611 121.300 -0.584 0.000 2.322 385 W HA 0.010 4.670 4.660 -0.000 0.000 0.328 385 W C 0.792 177.065 176.519 -0.410 0.000 1.395 385 W CA 0.190 57.288 57.345 -0.412 0.000 1.267 385 W CB 0.196 29.621 29.460 -0.059 0.000 1.259 385 W HN 0.577 nan 8.180 nan 0.000 0.560 386 Q N 1.713 121.391 119.800 -0.204 0.000 2.127 386 Q HA 0.110 4.450 4.340 -0.000 0.000 0.222 386 Q C -0.676 174.981 176.000 -0.572 0.000 0.794 386 Q CA 0.102 55.689 55.803 -0.360 0.000 1.010 386 Q CB 0.729 29.185 28.738 -0.470 0.000 1.170 386 Q HN 0.543 nan 8.270 nan 0.000 0.479 387 H N -2.410 116.669 119.070 0.015 0.000 3.012 387 H HA 0.189 4.745 4.556 -0.000 0.000 0.367 387 H C -0.467 174.927 175.328 0.110 0.000 1.211 387 H CA -0.682 55.403 56.048 0.061 0.000 1.139 387 H CB 0.923 30.779 29.762 0.157 0.000 1.838 387 H HN -0.113 nan 8.280 nan 0.000 0.550 388 F N -0.118 120.025 119.950 0.322 0.000 2.407 388 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 388 F C 0.730 176.386 175.800 -0.241 0.000 1.097 388 F CA 0.869 58.921 58.000 0.086 0.000 1.422 388 F CB 0.267 39.282 39.000 0.025 0.000 1.067 388 F HN 0.369 nan 8.300 nan 0.000 0.539 389 H N -0.346 118.896 119.070 0.286 0.000 2.800 389 H HA 0.402 4.958 4.556 -0.000 0.000 0.322 389 H C -0.951 174.390 175.328 0.020 0.000 0.979 389 H CA -0.680 55.402 56.048 0.057 0.000 1.277 389 H CB 0.968 30.760 29.762 0.050 0.000 1.484 389 H HN 0.018 nan 8.280 nan 0.000 0.512 390 F N 0.537 120.387 119.950 -0.167 0.000 2.713 390 F HA 0.515 5.042 4.527 -0.000 0.000 0.311 390 F C -1.998 173.594 175.800 -0.347 0.000 1.141 390 F CA -1.158 56.631 58.000 -0.352 0.000 0.939 390 F CB 1.051 39.714 39.000 -0.563 0.000 1.325 390 F HN 0.191 nan 8.300 nan 0.000 0.453 391 V N 2.059 121.888 119.914 -0.141 0.000 2.555 391 V HA 0.935 5.054 4.120 -0.000 0.000 0.302 391 V C -0.849 175.242 176.094 -0.006 0.000 1.038 391 V CA -0.109 62.101 62.300 -0.150 0.000 0.887 391 V CB 1.064 32.770 31.823 -0.194 0.000 0.991 391 V HN 1.483 nan 8.190 nan 0.000 0.434 392 A N 5.313 128.167 122.820 0.057 0.000 2.401 392 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 392 A C -0.694 176.872 177.584 -0.030 0.000 1.075 392 A CA -0.596 51.462 52.037 0.034 0.000 0.746 392 A CB 1.696 20.862 19.000 0.277 0.000 1.277 392 A HN 0.966 nan 8.150 nan 0.000 0.425 393 E N 0.326 120.433 120.200 -0.155 0.000 2.363 393 E HA 0.592 4.942 4.350 -0.000 0.000 0.281 393 E C -1.437 175.181 176.600 0.030 0.000 0.953 393 E CA -0.334 56.101 56.400 0.058 0.000 0.778 393 E CB 2.175 31.967 29.700 0.153 0.000 1.220 393 E HN 0.685 nan 8.360 nan 0.000 0.431 394 T N 1.867 116.518 114.554 0.162 0.000 2.841 394 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 394 T C -1.820 172.819 174.700 -0.103 0.000 1.166 394 T CA -0.710 61.420 62.100 0.050 0.000 1.007 394 T CB 1.503 70.623 68.868 0.420 0.000 1.253 394 T HN 0.378 nan 8.240 nan 0.000 0.511 395 K N 2.542 122.714 120.400 -0.379 0.000 2.545 395 K HA 0.704 5.024 4.320 -0.000 0.000 0.252 395 K C -1.958 174.565 176.600 -0.128 0.000 0.948 395 K CA -0.672 55.332 56.287 -0.473 0.000 0.827 395 K CB 1.803 33.714 32.500 -0.981 0.000 1.128 395 K HN 0.407 nan 8.250 nan 0.000 0.429 396 V N 2.819 122.725 119.914 -0.013 0.000 2.709 396 V HA 0.477 4.596 4.120 -0.000 0.000 0.308 396 V C -1.237 174.872 176.094 0.026 0.000 1.062 396 V CA -0.420 61.827 62.300 -0.089 0.000 0.901 396 V CB 2.050 33.614 31.823 -0.432 0.000 1.003 396 V HN 0.849 nan 8.190 nan 0.000 0.425 397 S N 6.748 122.421 115.700 -0.044 0.000 2.429 397 S HA 0.777 5.246 4.470 -0.000 0.000 0.302 397 S C -1.270 173.296 174.600 -0.057 0.000 1.115 397 S CA -0.350 57.737 58.200 -0.187 0.000 1.095 397 S CB 0.598 63.566 63.200 -0.386 0.000 0.987 397 S HN 0.810 nan 8.310 nan 0.000 0.474 398 F N 4.584 124.385 119.950 -0.247 0.000 2.622 398 F HA 0.540 5.067 4.527 -0.000 0.000 0.318 398 F C -0.973 174.716 175.800 -0.185 0.000 1.135 398 F CA -0.811 57.050 58.000 -0.232 0.000 1.015 398 F CB 1.539 40.424 39.000 -0.191 0.000 1.275 398 F HN 0.559 nan 8.300 nan 0.000 0.457 399 R N 5.871 125.909 120.500 -0.770 0.000 2.547 399 R HA 0.318 4.658 4.340 -0.000 0.000 0.280 399 R C -2.918 172.884 176.300 -0.829 0.000 1.630 399 R CA -1.605 54.116 56.100 -0.632 0.000 1.470 399 R CB 1.168 31.233 30.300 -0.391 0.000 1.178 399 R HN 0.319 nan 8.270 nan 0.000 0.591 400 P HA 0.115 nan 4.420 nan 0.000 0.275 400 P C 0.635 177.686 177.300 -0.416 0.000 1.228 400 P CA -0.023 62.670 63.100 -0.678 0.000 0.786 400 P CB 1.130 32.581 31.700 -0.415 0.000 0.927 401 T N -2.340 111.913 114.554 -0.502 0.000 3.010 401 T HA 0.190 4.540 4.350 -0.000 0.000 0.257 401 T C 0.506 174.477 174.700 -1.215 0.000 1.020 401 T CA 0.124 61.752 62.100 -0.786 0.000 0.938 401 T CB -0.134 68.406 68.868 -0.546 0.000 1.049 401 T HN 0.551 nan 8.240 nan 0.000 0.522 402 T N 0.381 114.508 114.554 -0.711 0.000 2.868 402 T HA 0.483 4.833 4.350 -0.000 0.000 0.306 402 T C -0.085 174.575 174.700 -0.067 0.000 1.224 402 T CA -0.843 60.903 62.100 -0.591 0.000 1.012 402 T CB 0.878 69.357 68.868 -0.649 0.000 1.221 402 T HN 0.109 nan 8.240 nan 0.000 0.499 403 F N 1.211 121.353 119.950 0.321 0.000 2.546 403 F HA 0.184 4.710 4.527 -0.000 0.000 0.298 403 F C 1.966 177.868 175.800 0.170 0.000 1.120 403 F CA 0.372 58.536 58.000 0.274 0.000 1.456 403 F CB -0.782 38.366 39.000 0.247 0.000 1.088 403 F HN 0.539 nan 8.300 nan 0.000 0.572 404 Q N 0.486 120.247 119.800 -0.065 0.000 2.482 404 Q HA 0.045 4.385 4.340 -0.000 0.000 0.209 404 Q C 0.034 176.082 176.000 0.080 0.000 0.961 404 Q CA 0.487 56.309 55.803 0.032 0.000 0.945 404 Q CB -0.035 28.636 28.738 -0.112 0.000 1.012 404 Q HN 0.606 nan 8.270 nan 0.000 0.515 405 Q N 0.430 120.297 119.800 0.111 0.000 2.333 405 Q HA 0.392 4.732 4.340 -0.000 0.000 0.267 405 Q C -0.867 175.338 176.000 0.341 0.000 1.012 405 Q CA -0.496 55.432 55.803 0.207 0.000 0.824 405 Q CB 2.201 31.032 28.738 0.156 0.000 1.290 405 Q HN 0.043 nan 8.270 nan 0.000 0.449 406 S N 0.238 116.137 115.700 0.333 0.000 2.579 406 S HA 0.934 5.404 4.470 -0.000 0.000 0.272 406 S C -1.379 173.167 174.600 -0.089 0.000 1.141 406 S CA -0.840 57.523 58.200 0.272 0.000 0.843 406 S CB 2.105 65.398 63.200 0.156 0.000 1.122 406 S HN 0.697 nan 8.310 nan 0.000 0.468 407 A N 0.356 123.025 122.820 -0.253 0.000 2.547 407 A HA 1.023 5.343 4.320 -0.000 0.000 0.297 407 A C 0.005 177.565 177.584 -0.041 0.000 1.056 407 A CA -0.231 51.573 52.037 -0.389 0.000 0.688 407 A CB 1.145 19.421 19.000 -1.207 0.000 1.282 407 A HN 2.180 nan 8.150 nan 0.000 0.400 408 G N -0.549 108.347 108.800 0.160 0.000 2.427 408 G HA2 0.594 4.554 3.960 -0.000 0.000 0.306 408 G HA3 0.594 4.554 3.960 -0.000 0.000 0.306 408 G C -2.136 172.973 174.900 0.349 0.000 1.280 408 G CA -0.357 44.884 45.100 0.234 0.000 0.837 408 G HN 1.593 nan 8.290 nan 0.000 0.482 409 L N 0.690 122.113 121.223 0.334 0.000 2.282 409 L HA 0.797 5.137 4.340 -0.000 0.000 0.288 409 L C -0.548 176.567 176.870 0.409 0.000 1.033 409 L CA -0.660 54.442 54.840 0.436 0.000 0.807 409 L CB 1.583 43.941 42.059 0.499 0.000 1.209 409 L HN 0.401 nan 8.230 nan 0.000 0.423 410 V N 4.825 125.019 119.914 0.468 0.000 2.540 410 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 410 V C -0.472 175.986 176.094 0.607 0.000 1.035 410 V CA -0.851 61.706 62.300 0.429 0.000 0.873 410 V CB 1.815 33.743 31.823 0.175 0.000 0.992 410 V HN 0.750 nan 8.190 nan 0.000 0.428 411 N N 3.205 122.269 118.700 0.606 0.000 2.444 411 N HA 0.445 5.185 4.740 -0.000 0.000 0.262 411 N C -1.587 174.264 175.510 0.568 0.000 0.974 411 N CA -0.266 53.152 53.050 0.613 0.000 0.933 411 N CB 2.297 41.081 38.487 0.495 0.000 1.137 411 N HN 0.800 nan 8.380 nan 0.000 0.498 412 Y N 2.224 122.771 120.300 0.411 0.000 2.406 412 Y HA 0.179 4.728 4.550 -0.000 0.000 0.340 412 Y C -0.541 175.557 175.900 0.330 0.000 0.975 412 Y CA -0.656 57.698 58.100 0.423 0.000 1.056 412 Y CB 1.202 39.991 38.460 0.548 0.000 1.210 412 Y HN 0.516 nan 8.280 nan 0.000 0.448 413 Y N 4.344 124.557 120.300 -0.145 0.000 2.333 413 Y HA 0.231 4.781 4.550 -0.000 0.000 0.287 413 Y C -0.003 175.720 175.900 -0.294 0.000 1.149 413 Y CA 1.106 59.121 58.100 -0.141 0.000 1.193 413 Y CB 0.408 38.770 38.460 -0.163 0.000 1.175 413 Y HN 0.756 nan 8.280 nan 0.000 0.518 414 N N -2.450 116.019 118.700 -0.384 0.000 3.278 414 N HA 0.106 4.846 4.740 -0.000 0.000 0.307 414 N C 0.414 175.680 175.510 -0.407 0.000 1.551 414 N CA 0.178 52.991 53.050 -0.395 0.000 0.794 414 N CB 0.303 38.744 38.487 -0.076 0.000 1.770 414 N HN 0.050 nan 8.380 nan 0.000 0.612 415 T N -3.069 111.461 114.554 -0.040 0.000 2.897 415 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 415 T C 0.855 175.686 174.700 0.219 0.000 1.084 415 T CA 1.389 63.592 62.100 0.171 0.000 1.123 415 T CB -0.378 68.570 68.868 0.134 0.000 0.865 415 T HN 0.584 nan 8.240 nan 0.000 0.496 416 Q N 0.514 120.317 119.800 0.006 0.000 2.281 416 Q HA 0.251 4.591 4.340 -0.000 0.000 0.215 416 Q C -0.225 175.572 176.000 -0.337 0.000 0.867 416 Q CA -0.011 55.717 55.803 -0.126 0.000 0.940 416 Q CB 0.530 29.181 28.738 -0.144 0.000 1.111 416 Q HN 0.538 nan 8.270 nan 0.000 0.513 417 N N 1.074 119.593 118.700 -0.303 0.000 2.581 417 N HA 0.218 4.958 4.740 -0.000 0.000 0.279 417 N C -1.453 173.964 175.510 -0.156 0.000 1.124 417 N CA -0.169 52.694 53.050 -0.313 0.000 0.833 417 N CB 1.490 39.843 38.487 -0.224 0.000 1.338 417 N HN 0.167 nan 8.380 nan 0.000 0.533 418 W N 0.262 121.511 121.300 -0.085 0.000 3.057 418 W HA 0.458 5.118 4.660 -0.000 0.000 0.328 418 W C -1.170 175.390 176.519 0.068 0.000 1.232 418 W CA -0.880 56.461 57.345 -0.006 0.000 1.187 418 W CB 0.618 30.074 29.460 -0.006 0.000 1.417 418 W HN 0.218 nan 8.180 nan 0.000 0.569 419 T N -0.827 114.061 114.554 0.556 0.000 2.901 419 T HA 0.749 5.099 4.350 -0.000 0.000 0.293 419 T C -1.121 173.851 174.700 0.453 0.000 1.084 419 T CA -0.622 61.742 62.100 0.439 0.000 1.008 419 T CB 2.451 71.422 68.868 0.171 0.000 1.170 419 T HN 0.762 nan 8.240 nan 0.000 0.509 420 T N 0.774 115.445 114.554 0.194 0.000 3.047 420 T HA 0.515 4.865 4.350 -0.000 0.000 0.340 420 T C -2.186 172.311 174.700 -0.338 0.000 1.421 420 T CA -0.701 61.398 62.100 -0.002 0.000 1.090 420 T CB 1.500 70.381 68.868 0.021 0.000 1.292 420 T HN 0.855 nan 8.240 nan 0.000 0.480 421 L N 5.509 126.440 121.223 -0.486 0.000 2.272 421 L HA 0.743 5.083 4.340 -0.000 0.000 0.289 421 L C -0.422 176.434 176.870 -0.023 0.000 1.032 421 L CA 0.131 54.786 54.840 -0.309 0.000 0.810 421 L CB 0.944 42.818 42.059 -0.308 0.000 1.205 421 L HN 0.816 nan 8.230 nan 0.000 0.422 422 Q N 4.361 124.175 119.800 0.025 0.000 2.416 422 Q HA 0.617 4.957 4.340 -0.000 0.000 0.281 422 Q C -1.519 174.552 176.000 0.120 0.000 1.067 422 Q CA -0.923 54.929 55.803 0.081 0.000 0.809 422 Q CB 1.970 30.744 28.738 0.061 0.000 1.418 422 Q HN 0.620 nan 8.270 nan 0.000 0.411 423 I N 1.768 122.444 120.570 0.177 0.000 2.353 423 I HA 0.478 4.647 4.170 -0.000 0.000 0.293 423 I C 0.093 176.416 176.117 0.343 0.000 0.992 423 I CA -0.187 61.265 61.300 0.254 0.000 1.268 423 I CB 1.767 39.981 38.000 0.356 0.000 1.387 423 I HN 0.828 nan 8.210 nan 0.000 0.478 424 T N 4.159 118.872 114.554 0.266 0.000 2.618 424 T HA 0.456 4.806 4.350 -0.000 0.000 0.293 424 T C -2.250 172.620 174.700 0.283 0.000 1.093 424 T CA -0.514 61.767 62.100 0.301 0.000 1.061 424 T CB 1.143 70.183 68.868 0.286 0.000 1.498 424 T HN 0.533 nan 8.240 nan 0.000 0.494 425 W N 1.783 123.154 121.300 0.119 0.000 2.785 425 W HA 0.657 5.317 4.660 -0.000 0.000 0.333 425 W C -1.257 175.387 176.519 0.210 0.000 1.062 425 W CA -0.519 56.884 57.345 0.096 0.000 1.233 425 W CB 1.038 30.499 29.460 0.002 0.000 1.413 425 W HN 0.685 nan 8.180 nan 0.000 0.489 426 H N 3.967 122.620 119.070 -0.695 0.000 2.538 426 H HA 0.199 4.755 4.556 -0.000 0.000 0.353 426 H C 0.481 175.037 175.328 -1.286 0.000 1.109 426 H CA -0.252 55.400 56.048 -0.661 0.000 1.192 426 H CB 2.106 31.664 29.762 -0.339 0.000 1.555 426 H HN 0.619 nan 8.280 nan 0.000 0.518 427 E N 2.614 121.991 120.200 -1.372 0.000 2.147 427 E HA -0.217 4.132 4.350 -0.000 0.000 0.199 427 E C 1.024 177.319 176.600 -0.508 0.000 1.005 427 E CA 2.224 58.088 56.400 -0.894 0.000 0.810 427 E CB 0.314 29.780 29.700 -0.391 0.000 0.736 427 E HN 0.725 nan 8.360 nan 0.000 0.460 428 E N -0.650 119.360 120.200 -0.317 0.000 2.290 428 E HA 0.101 4.451 4.350 -0.000 0.000 0.199 428 E C 1.556 178.146 176.600 -0.018 0.000 0.912 428 E CA 0.198 56.564 56.400 -0.057 0.000 0.924 428 E CB 0.267 29.996 29.700 0.049 0.000 0.901 428 E HN 0.026 nan 8.360 nan 0.000 0.487 429 K N 0.614 121.063 120.400 0.083 0.000 2.305 429 K HA 0.150 4.470 4.320 -0.000 0.000 0.199 429 K C 1.047 177.562 176.600 -0.141 0.000 1.047 429 K CA 0.557 56.809 56.287 -0.058 0.000 0.976 429 K CB 0.417 32.831 32.500 -0.142 0.000 0.765 429 K HN 0.183 nan 8.250 nan 0.000 0.474 430 G N 2.262 110.870 108.800 -0.320 0.000 2.512 430 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 430 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 430 G C -0.587 174.134 174.900 -0.298 0.000 1.199 430 G CA -0.125 44.727 45.100 -0.414 0.000 0.941 430 G HN 0.356 nan 8.290 nan 0.000 0.569 431 R N 0.891 121.357 120.500 -0.056 0.000 2.480 431 R HA 0.343 4.683 4.340 -0.000 0.000 0.303 431 R C 0.669 176.957 176.300 -0.020 0.000 0.985 431 R CA 0.965 57.074 56.100 0.016 0.000 1.051 431 R CB -0.691 29.610 30.300 0.002 0.000 0.935 431 R HN 0.731 nan 8.270 nan 0.000 0.410 432 I N 1.079 121.660 120.570 0.017 0.000 2.934 432 I HA 0.487 4.657 4.170 -0.000 0.000 0.306 432 I C -1.487 174.654 176.117 0.040 0.000 1.110 432 I CA -1.506 59.797 61.300 0.004 0.000 1.019 432 I CB 1.681 39.663 38.000 -0.029 0.000 1.227 432 I HN 0.313 nan 8.210 nan 0.000 0.434 433 L N 3.294 124.519 121.223 0.004 0.000 2.322 433 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 433 L C -0.547 176.317 176.870 -0.010 0.000 1.014 433 L CA 0.307 55.145 54.840 -0.003 0.000 0.815 433 L CB 1.302 43.301 42.059 -0.099 0.000 1.247 433 L HN 0.942 nan 8.230 nan 0.000 0.421 434 E N 4.121 124.337 120.200 0.027 0.000 2.429 434 E HA 0.590 4.940 4.350 -0.000 0.000 0.276 434 E C -1.664 174.963 176.600 0.044 0.000 0.953 434 E CA -0.977 55.447 56.400 0.039 0.000 0.787 434 E CB 1.611 31.344 29.700 0.055 0.000 1.307 434 E HN 0.482 nan 8.360 nan 0.000 0.458 435 L N 1.520 122.787 121.223 0.074 0.000 2.334 435 L HA 0.639 4.979 4.340 -0.000 0.000 0.275 435 L C -0.200 176.751 176.870 0.134 0.000 1.036 435 L CA -0.821 54.075 54.840 0.093 0.000 0.807 435 L CB 1.585 43.778 42.059 0.223 0.000 1.231 435 L HN 0.638 nan 8.230 nan 0.000 0.438 436 M N 2.310 122.005 119.600 0.158 0.000 2.371 436 M HA 0.478 4.958 4.480 -0.000 0.000 0.287 436 M C -1.218 175.237 176.300 0.259 0.000 1.149 436 M CA -0.241 55.194 55.300 0.224 0.000 0.929 436 M CB 2.463 35.239 32.600 0.293 0.000 1.683 436 M HN 0.696 nan 8.290 nan 0.000 0.470 437 T N 0.475 115.092 114.554 0.105 0.000 2.906 437 T HA 0.723 5.073 4.350 -0.000 0.000 0.295 437 T C -1.423 172.991 174.700 -0.477 0.000 1.061 437 T CA -0.747 61.307 62.100 -0.076 0.000 1.000 437 T CB 1.708 70.626 68.868 0.085 0.000 1.103 437 T HN 0.846 nan 8.240 nan 0.000 0.486 438 C N 2.840 121.624 119.300 -0.861 0.000 2.446 438 C HA 0.715 5.175 4.460 -0.000 0.000 0.329 438 C C -1.491 173.162 174.990 -0.560 0.000 1.166 438 C CA -0.447 58.001 59.018 -0.949 0.000 1.341 438 C CB 0.267 26.868 27.740 -1.899 0.000 1.970 438 C HN 1.028 nan 8.230 nan 0.000 0.452 439 D N 3.436 123.674 120.400 -0.270 0.000 2.469 439 D HA 0.330 4.970 4.640 -0.000 0.000 0.251 439 D C 0.105 176.428 176.300 0.038 0.000 1.173 439 D CA -0.032 53.933 54.000 -0.058 0.000 0.882 439 D CB 0.292 41.135 40.800 0.071 0.000 1.129 439 D HN 0.811 nan 8.370 nan 0.000 0.549 440 H N 2.988 121.984 119.070 -0.124 0.000 2.655 440 H HA -0.225 4.330 4.556 -0.000 0.000 0.313 440 H C 1.224 176.498 175.328 -0.091 0.000 1.141 440 H CA 0.755 56.739 56.048 -0.108 0.000 1.138 440 H CB -0.941 28.753 29.762 -0.113 0.000 1.446 440 H HN 0.419 nan 8.280 nan 0.000 0.415 441 L N -3.272 117.906 121.223 -0.076 0.000 3.803 441 L HA -0.224 4.115 4.340 -0.000 0.000 0.407 441 L C -0.036 176.800 176.870 -0.056 0.000 0.735 441 L CA 1.425 56.233 54.840 -0.053 0.000 2.621 441 L CB -0.821 41.241 42.059 0.006 0.000 1.075 441 L HN 0.183 nan 8.230 nan 0.000 0.644 442 V N 1.409 121.292 119.914 -0.052 0.000 2.470 442 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 442 V C 0.684 176.720 176.094 -0.097 0.000 1.040 442 V CA -0.022 62.250 62.300 -0.046 0.000 1.008 442 V CB 1.095 32.907 31.823 -0.017 0.000 0.990 442 V HN 0.072 nan 8.190 nan 0.000 0.477 443 V N 4.500 124.373 119.914 -0.069 0.000 2.532 443 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 443 V C -0.288 175.789 176.094 -0.028 0.000 1.041 443 V CA -0.416 61.836 62.300 -0.080 0.000 0.926 443 V CB 1.968 33.783 31.823 -0.014 0.000 0.992 443 V HN 0.984 nan 8.190 nan 0.000 0.457 444 D N 2.233 122.623 120.400 -0.017 0.000 2.671 444 D HA 0.469 5.109 4.640 -0.000 0.000 0.232 444 D C -0.880 175.457 176.300 0.061 0.000 1.114 444 D CA -0.480 53.534 54.000 0.023 0.000 0.858 444 D CB 2.196 43.011 40.800 0.024 0.000 1.544 444 D HN 0.519 nan 8.370 nan 0.000 0.471 445 Q N 2.883 122.720 119.800 0.061 0.000 2.607 445 Q HA 0.304 4.644 4.340 -0.000 0.000 0.247 445 Q C -1.888 174.150 176.000 0.064 0.000 1.033 445 Q CA -1.602 54.247 55.803 0.077 0.000 0.769 445 Q CB 2.053 30.830 28.738 0.065 0.000 1.169 445 Q HN 0.271 nan 8.270 nan 0.000 0.508 446 P HA -0.065 nan 4.420 nan 0.000 0.242 446 P C 0.218 177.543 177.300 0.041 0.000 1.197 446 P CA 0.502 63.633 63.100 0.051 0.000 0.765 446 P CB 0.373 32.104 31.700 0.051 0.000 0.936 447 L N -1.152 120.103 121.223 0.053 0.000 2.910 447 L HA 0.234 4.574 4.340 -0.000 0.000 0.252 447 L C 0.964 177.840 176.870 0.009 0.000 1.195 447 L CA -0.529 54.332 54.840 0.036 0.000 1.003 447 L CB -0.682 41.408 42.059 0.052 0.000 1.328 447 L HN -0.142 nan 8.230 nan 0.000 0.540 448 R N 0.546 121.051 120.500 0.009 0.000 2.494 448 R HA 0.100 4.440 4.340 -0.000 0.000 0.291 448 R C 1.243 177.526 176.300 -0.028 0.000 0.953 448 R CA 1.304 57.399 56.100 -0.008 0.000 1.098 448 R CB -0.015 30.286 30.300 0.002 0.000 0.911 448 R HN 0.492 nan 8.270 nan 0.000 0.407 449 G N 4.145 112.908 108.800 -0.061 0.000 2.245 449 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 449 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 449 G C 0.384 175.241 174.900 -0.072 0.000 0.985 449 G CA 0.692 45.747 45.100 -0.074 0.000 0.625 449 G HN 0.736 nan 8.290 nan 0.000 0.536 450 R N 0.009 120.477 120.500 -0.054 0.000 2.698 450 R HA 0.540 4.880 4.340 -0.000 0.000 0.422 450 R C -0.353 175.928 176.300 -0.031 0.000 1.073 450 R CA -0.486 55.593 56.100 -0.035 0.000 1.054 450 R CB 0.287 30.582 30.300 -0.008 0.000 1.373 450 R HN 0.282 nan 8.270 nan 0.000 0.593 451 E N 1.159 121.319 120.200 -0.066 0.000 2.415 451 E HA 0.091 4.441 4.350 -0.000 0.000 0.262 451 E C -0.377 176.193 176.600 -0.051 0.000 1.038 451 E CA -0.149 56.216 56.400 -0.059 0.000 0.921 451 E CB 0.626 30.271 29.700 -0.092 0.000 0.950 451 E HN 0.185 nan 8.360 nan 0.000 0.438 452 I N 2.420 122.959 120.570 -0.050 0.000 2.452 452 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 452 I C -0.454 175.655 176.117 -0.013 0.000 1.079 452 I CA -0.053 61.221 61.300 -0.045 0.000 1.387 452 I CB 0.464 38.332 38.000 -0.219 0.000 1.404 452 I HN 0.206 nan 8.210 nan 0.000 0.522 453 V N 7.619 127.546 119.914 0.022 0.000 2.470 453 V HA 0.108 4.228 4.120 -0.000 0.000 0.276 453 V C 0.291 176.396 176.094 0.019 0.000 1.040 453 V CA -0.550 61.751 62.300 0.002 0.000 1.008 453 V CB 0.904 32.723 31.823 -0.008 0.000 0.990 453 V HN 0.391 nan 8.190 nan 0.000 0.477 454 V N 8.190 128.066 119.914 -0.063 0.000 2.385 454 V HA 0.257 4.377 4.120 -0.000 0.000 0.269 454 V C -1.938 173.989 176.094 -0.277 0.000 1.043 454 V CA -1.688 60.460 62.300 -0.253 0.000 0.906 454 V CB 1.027 32.745 31.823 -0.174 0.000 0.995 454 V HN 0.783 nan 8.190 nan 0.000 0.467 455 P HA -0.005 nan 4.420 nan 0.000 0.267 455 P C 0.814 177.997 177.300 -0.196 0.000 1.200 455 P CA 0.062 63.022 63.100 -0.232 0.000 0.772 455 P CB 0.596 32.154 31.700 -0.238 0.000 0.855 456 D N 1.842 122.171 120.400 -0.119 0.000 2.264 456 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 456 D C 0.735 176.978 176.300 -0.095 0.000 0.966 456 D CA 0.939 54.881 54.000 -0.096 0.000 0.864 456 D CB 0.090 40.853 40.800 -0.061 0.000 0.933 456 D HN 0.465 nan 8.370 nan 0.000 0.499 457 D N 0.087 120.433 120.400 -0.091 0.000 2.349 457 D HA -0.084 4.555 4.640 -0.000 0.000 0.224 457 D C 0.725 176.981 176.300 -0.073 0.000 1.029 457 D CA -0.229 53.731 54.000 -0.067 0.000 0.879 457 D CB 0.055 40.831 40.800 -0.041 0.000 0.906 457 D HN 0.138 nan 8.370 nan 0.000 0.528 458 I N 2.114 122.608 120.570 -0.127 0.000 2.379 458 I HA 0.069 4.239 4.170 -0.000 0.000 0.290 458 I C 1.486 177.544 176.117 -0.098 0.000 1.063 458 I CA -0.076 61.155 61.300 -0.116 0.000 1.351 458 I CB 1.084 38.907 38.000 -0.293 0.000 1.410 458 I HN 0.083 nan 8.210 nan 0.000 0.505 459 E N 5.607 125.769 120.200 -0.062 0.000 2.102 459 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 459 E C -0.477 175.927 176.600 -0.328 0.000 0.971 459 E CA 0.817 57.090 56.400 -0.212 0.000 0.821 459 E CB 0.416 29.971 29.700 -0.240 0.000 0.777 459 E HN 0.509 nan 8.360 nan 0.000 0.460 460 Y N -0.013 120.312 120.300 0.042 0.000 2.341 460 Y HA 0.344 4.894 4.550 -0.000 0.000 0.338 460 Y C -0.523 175.427 175.900 0.083 0.000 0.965 460 Y CA -0.912 57.183 58.100 -0.009 0.000 1.108 460 Y CB 2.012 40.405 38.460 -0.111 0.000 1.180 460 Y HN -0.267 nan 8.280 nan 0.000 0.458 461 V N 4.350 124.400 119.914 0.226 0.000 2.427 461 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 461 V C -0.844 175.369 176.094 0.199 0.000 1.034 461 V CA -1.187 61.322 62.300 0.350 0.000 0.893 461 V CB 0.657 32.677 31.823 0.328 0.000 0.982 461 V HN 0.591 nan 8.190 nan 0.000 0.452 462 Y N 5.044 125.461 120.300 0.195 0.000 2.326 462 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 462 Y C 0.104 176.193 175.900 0.315 0.000 1.023 462 Y CA -0.572 57.626 58.100 0.164 0.000 1.143 462 Y CB 1.209 39.602 38.460 -0.112 0.000 1.183 462 Y HN 0.414 nan 8.280 nan 0.000 0.485 463 L N 4.901 126.445 121.223 0.535 0.000 2.362 463 L HA 0.677 5.016 4.340 -0.000 0.000 0.275 463 L C -0.404 176.807 176.870 0.568 0.000 0.998 463 L CA -0.858 54.312 54.840 0.551 0.000 0.820 463 L CB 2.165 44.476 42.059 0.421 0.000 1.270 463 L HN 0.580 nan 8.230 nan 0.000 0.415 464 R N 2.031 122.869 120.500 0.563 0.000 2.744 464 R HA 0.795 5.135 4.340 -0.000 0.000 0.279 464 R C -2.032 174.438 176.300 0.284 0.000 0.977 464 R CA -0.572 55.712 56.100 0.307 0.000 0.906 464 R CB 2.861 33.155 30.300 -0.011 0.000 1.197 464 R HN 0.428 nan 8.270 nan 0.000 0.463 465 V N 2.728 122.703 119.914 0.102 0.000 2.656 465 V HA 0.555 4.675 4.120 -0.000 0.000 0.307 465 V C -1.230 174.739 176.094 -0.209 0.000 1.051 465 V CA -0.226 62.010 62.300 -0.107 0.000 0.893 465 V CB 2.365 34.040 31.823 -0.247 0.000 0.999 465 V HN 0.896 nan 8.190 nan 0.000 0.426 466 T N 5.984 120.401 114.554 -0.228 0.000 2.833 466 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 466 T C -0.622 173.880 174.700 -0.331 0.000 1.015 466 T CA -0.272 61.656 62.100 -0.288 0.000 0.963 466 T CB 1.217 69.980 68.868 -0.176 0.000 0.955 466 T HN 0.467 nan 8.240 nan 0.000 0.449 467 V N 4.762 124.281 119.914 -0.659 0.000 2.370 467 V HA 0.372 4.492 4.120 -0.000 0.000 0.279 467 V C -0.063 175.787 176.094 -0.405 0.000 1.029 467 V CA -0.605 61.294 62.300 -0.668 0.000 0.870 467 V CB 1.411 32.313 31.823 -1.536 0.000 0.984 467 V HN 0.742 nan 8.190 nan 0.000 0.451 468 Q N 3.945 123.642 119.800 -0.172 0.000 2.907 468 Q HA 0.572 4.912 4.340 -0.000 0.000 0.262 468 Q C 0.712 176.628 176.000 -0.140 0.000 0.997 468 Q CA 0.339 56.097 55.803 -0.075 0.000 0.797 468 Q CB 1.345 30.123 28.738 0.067 0.000 1.228 468 Q HN 1.003 nan 8.270 nan 0.000 0.466 469 A N 1.465 124.062 122.820 -0.372 0.000 5.093 469 A HA -0.404 3.916 4.320 -0.000 0.000 0.329 469 A C 1.708 179.350 177.584 0.097 0.000 1.836 469 A CA 2.789 54.744 52.037 -0.138 0.000 0.707 469 A CB -2.142 16.752 19.000 -0.177 0.000 1.389 469 A HN 0.716 nan 8.150 nan 0.000 0.383 470 T N -1.606 112.997 114.554 0.083 0.000 2.962 470 T HA 0.324 4.674 4.350 -0.000 0.000 0.270 470 T C 0.892 175.693 174.700 0.168 0.000 1.088 470 T CA 2.340 64.522 62.100 0.138 0.000 1.127 470 T CB -1.029 67.888 68.868 0.083 0.000 0.883 470 T HN 2.363 nan 8.240 nan 0.000 0.493 471 T N -0.456 114.181 114.554 0.138 0.000 2.906 471 T HA 0.667 5.016 4.350 -0.000 0.000 0.295 471 T C -1.180 173.628 174.700 0.181 0.000 1.075 471 T CA -1.147 61.027 62.100 0.122 0.000 1.005 471 T CB 2.073 70.961 68.868 0.034 0.000 1.136 471 T HN 0.558 nan 8.240 nan 0.000 0.498 472 Y N -1.368 118.969 120.300 0.061 0.000 2.597 472 Y HA 0.850 5.399 4.550 -0.000 0.000 0.340 472 Y C -1.389 174.560 175.900 0.082 0.000 1.097 472 Y CA -1.343 56.743 58.100 -0.022 0.000 1.037 472 Y CB 1.686 40.070 38.460 -0.127 0.000 1.305 472 Y HN 0.786 nan 8.280 nan 0.000 0.463 473 K N 1.752 122.237 120.400 0.141 0.000 2.498 473 K HA 0.396 4.715 4.320 -0.000 0.000 0.254 473 K C -1.978 174.712 176.600 0.148 0.000 0.933 473 K CA -0.901 55.493 56.287 0.178 0.000 0.806 473 K CB 2.421 34.989 32.500 0.114 0.000 1.301 473 K HN 0.655 nan 8.250 nan 0.000 0.432 474 Y N 0.773 121.286 120.300 0.355 0.000 2.301 474 Y HA 0.265 4.815 4.550 -0.000 0.000 0.325 474 Y C 0.847 176.916 175.900 0.282 0.000 1.203 474 Y CA 0.114 58.400 58.100 0.310 0.000 1.255 474 Y CB 1.598 40.259 38.460 0.335 0.000 1.232 474 Y HN 0.604 nan 8.280 nan 0.000 0.501 475 S N 1.493 117.475 115.700 0.471 0.000 2.651 475 S HA 0.797 5.267 4.470 -0.000 0.000 0.279 475 S C -1.569 173.410 174.600 0.631 0.000 1.148 475 S CA -0.924 57.544 58.200 0.446 0.000 0.837 475 S CB 1.972 65.359 63.200 0.311 0.000 1.138 475 S HN 0.663 nan 8.310 nan 0.000 0.478 476 Y N -1.392 119.153 120.300 0.409 0.000 2.615 476 Y HA 0.885 5.435 4.550 -0.000 0.000 0.341 476 Y C -0.679 175.089 175.900 -0.220 0.000 1.089 476 Y CA -0.811 57.412 58.100 0.205 0.000 1.049 476 Y CB 1.354 39.851 38.460 0.061 0.000 1.296 476 Y HN 0.974 nan 8.280 nan 0.000 0.470 477 S N 0.541 115.975 115.700 -0.442 0.000 2.550 477 S HA 0.568 5.038 4.470 -0.000 0.000 0.270 477 S C -1.325 173.139 174.600 -0.226 0.000 1.145 477 S CA -0.621 57.095 58.200 -0.807 0.000 0.852 477 S CB 0.724 62.913 63.200 -1.686 0.000 1.119 477 S HN 0.605 nan 8.310 nan 0.000 0.465 478 F N 1.667 121.599 119.950 -0.031 0.000 2.731 478 F HA 0.283 4.809 4.527 -0.000 0.000 0.298 478 F C 1.570 177.429 175.800 0.098 0.000 1.106 478 F CA -0.047 58.039 58.000 0.143 0.000 1.329 478 F CB 0.246 39.322 39.000 0.126 0.000 1.100 478 F HN 0.694 nan 8.300 nan 0.000 0.592 479 D N -2.378 117.970 120.400 -0.086 0.000 2.514 479 D HA 0.213 4.853 4.640 -0.000 0.000 0.225 479 D C 1.765 177.725 176.300 -0.567 0.000 1.159 479 D CA 0.726 54.634 54.000 -0.153 0.000 0.823 479 D CB -0.056 40.704 40.800 -0.066 0.000 1.097 479 D HN 0.169 nan 8.370 nan 0.000 0.519 480 G N 0.672 108.698 108.800 -1.289 0.000 2.162 480 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 480 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 480 G C 0.828 175.476 174.900 -0.421 0.000 0.976 480 G CA 0.984 45.265 45.100 -1.366 0.000 0.655 480 G HN 0.404 nan 8.290 nan 0.000 0.533 481 M N -0.840 118.539 119.600 -0.369 0.000 2.532 481 M HA 0.272 4.752 4.480 -0.000 0.000 0.244 481 M C 0.273 176.546 176.300 -0.045 0.000 1.390 481 M CA 0.175 55.425 55.300 -0.084 0.000 1.132 481 M CB 0.441 33.002 32.600 -0.065 0.000 1.466 481 M HN 0.063 nan 8.290 nan 0.000 0.550 482 N N 0.007 118.558 118.700 -0.249 0.000 2.417 482 N HA 0.303 5.043 4.740 -0.000 0.000 0.274 482 N C -1.883 173.394 175.510 -0.387 0.000 0.987 482 N CA -0.029 52.915 53.050 -0.176 0.000 0.912 482 N CB 0.960 39.359 38.487 -0.147 0.000 1.177 482 N HN 0.087 nan 8.380 nan 0.000 0.490 483 W N 1.929 123.119 121.300 -0.184 0.000 2.632 483 W HA 0.592 5.252 4.660 -0.000 0.000 0.328 483 W C 0.061 176.415 176.519 -0.276 0.000 1.044 483 W CA -0.524 56.681 57.345 -0.233 0.000 1.225 483 W CB 1.370 30.750 29.460 -0.133 0.000 1.396 483 W HN 0.176 nan 8.180 nan 0.000 0.499 484 I N 3.339 123.757 120.570 -0.253 0.000 2.406 484 I HA 0.151 4.321 4.170 -0.000 0.000 0.290 484 I C -0.455 175.614 176.117 -0.081 0.000 0.999 484 I CA -1.008 60.136 61.300 -0.259 0.000 1.124 484 I CB 1.311 39.012 38.000 -0.499 0.000 1.289 484 I HN 0.213 nan 8.210 nan 0.000 0.441 485 D N 6.341 126.765 120.400 0.041 0.000 2.414 485 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 485 D C -0.061 176.342 176.300 0.172 0.000 1.129 485 D CA 0.158 54.232 54.000 0.124 0.000 0.885 485 D CB 1.030 41.884 40.800 0.090 0.000 1.198 485 D HN 0.262 nan 8.370 nan 0.000 0.437 486 L N 4.387 125.769 121.223 0.264 0.000 2.331 486 L HA 0.216 4.556 4.340 -0.000 0.000 0.278 486 L C -1.473 175.503 176.870 0.176 0.000 1.106 486 L CA -1.496 53.501 54.840 0.263 0.000 0.824 486 L CB 0.731 42.995 42.059 0.341 0.000 1.142 486 L HN 0.228 nan 8.230 nan 0.000 0.443 487 P HA 0.085 nan 4.420 nan 0.000 0.237 487 P C -0.694 176.599 177.300 -0.012 0.000 1.723 487 P CA 0.165 63.293 63.100 0.047 0.000 0.882 487 P CB -0.001 31.721 31.700 0.037 0.000 1.810 488 V N -0.017 119.876 119.914 -0.035 0.000 2.686 488 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 488 V C 0.150 176.038 176.094 -0.342 0.000 1.065 488 V CA -0.331 61.820 62.300 -0.249 0.000 0.894 488 V CB 2.371 33.964 31.823 -0.383 0.000 1.004 488 V HN 0.001 nan 8.190 nan 0.000 0.424 489 T N 5.530 119.849 114.554 -0.392 0.000 2.749 489 T HA 0.647 4.997 4.350 -0.000 0.000 0.287 489 T C -0.529 173.866 174.700 -0.509 0.000 0.970 489 T CA 0.025 61.938 62.100 -0.311 0.000 0.980 489 T CB 0.287 69.057 68.868 -0.163 0.000 0.924 489 T HN 0.283 nan 8.240 nan 0.000 0.456 490 F N 1.534 121.264 119.950 -0.365 0.000 2.403 490 F HA 0.433 4.960 4.527 -0.000 0.000 0.326 490 F C 1.051 176.567 175.800 -0.474 0.000 1.081 490 F CA -1.056 56.616 58.000 -0.547 0.000 1.041 490 F CB 1.147 39.491 39.000 -1.094 0.000 1.234 490 F HN 0.432 nan 8.300 nan 0.000 0.503 491 E N 0.242 120.382 120.200 -0.100 0.000 2.145 491 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 491 E C 0.023 176.684 176.600 0.102 0.000 0.906 491 E CA -0.312 56.089 56.400 0.002 0.000 0.761 491 E CB 1.635 31.326 29.700 -0.015 0.000 1.116 491 E HN 0.557 nan 8.360 nan 0.000 0.408 492 S N 1.731 117.625 115.700 0.324 0.000 2.399 492 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 492 S C 1.751 176.446 174.600 0.158 0.000 1.022 492 S CA 1.176 59.636 58.200 0.433 0.000 0.983 492 S CB -0.344 63.185 63.200 0.549 0.000 0.803 492 S HN 0.698 nan 8.310 nan 0.000 0.480 493 Y N 1.724 122.005 120.300 -0.033 0.000 2.403 493 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 493 Y C 1.557 177.221 175.900 -0.393 0.000 1.143 493 Y CA 0.901 58.870 58.100 -0.218 0.000 1.257 493 Y CB -0.459 37.657 38.460 -0.573 0.000 0.984 493 Y HN 0.037 nan 8.280 nan 0.000 0.550 494 K N 0.790 120.552 120.400 -1.063 0.000 2.486 494 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 494 K C 0.389 176.750 176.600 -0.399 0.000 1.033 494 K CA 0.475 56.074 56.287 -1.147 0.000 1.004 494 K CB 0.010 31.887 32.500 -1.039 0.000 0.798 494 K HN 0.423 nan 8.250 nan 0.000 0.495 495 L N 1.182 122.263 121.223 -0.237 0.000 3.154 495 L HA 0.151 4.491 4.340 -0.000 0.000 0.266 495 L C -0.095 176.682 176.870 -0.155 0.000 1.300 495 L CA -0.511 54.234 54.840 -0.158 0.000 1.028 495 L CB 0.445 42.392 42.059 -0.186 0.000 1.412 495 L HN -0.012 nan 8.230 nan 0.000 0.564 496 S N -3.725 111.874 115.700 -0.169 0.000 2.568 496 S HA 0.355 4.825 4.470 -0.000 0.000 0.302 496 S C 0.444 174.901 174.600 -0.238 0.000 1.082 496 S CA -0.760 57.418 58.200 -0.037 0.000 1.009 496 S CB 2.293 65.643 63.200 0.250 0.000 1.069 496 S HN 0.073 nan 8.310 nan 0.000 0.500 497 D N 1.778 122.120 120.400 -0.096 0.000 2.157 497 D HA -0.162 4.478 4.640 -0.000 0.000 0.191 497 D C 0.997 177.264 176.300 -0.055 0.000 1.004 497 D CA 2.219 56.154 54.000 -0.108 0.000 0.854 497 D CB -0.480 40.340 40.800 0.033 0.000 0.936 497 D HN 0.809 nan 8.370 nan 0.000 0.446 498 D N -1.379 119.099 120.400 0.131 0.000 2.277 498 D HA -0.114 4.525 4.640 -0.000 0.000 0.208 498 D C 1.605 178.126 176.300 0.369 0.000 0.962 498 D CA 0.307 54.431 54.000 0.206 0.000 0.865 498 D CB -0.194 40.711 40.800 0.175 0.000 0.939 498 D HN 0.251 nan 8.370 nan 0.000 0.510 499 Y N 1.216 121.711 120.300 0.326 0.000 2.373 499 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 499 Y C 0.314 176.315 175.900 0.168 0.000 1.129 499 Y CA 0.209 58.500 58.100 0.317 0.000 1.226 499 Y CB 0.140 38.693 38.460 0.154 0.000 1.000 499 Y HN -0.174 nan 8.280 nan 0.000 0.549 500 I N 2.032 122.594 120.570 -0.013 0.000 2.517 500 I HA -0.037 4.132 4.170 -0.000 0.000 0.285 500 I C 1.180 177.308 176.117 0.019 0.000 1.106 500 I CA 0.233 61.493 61.300 -0.066 0.000 1.402 500 I CB 1.144 39.004 38.000 -0.234 0.000 1.399 500 I HN 0.096 nan 8.210 nan 0.000 0.535 501 K N 3.413 123.933 120.400 0.200 0.000 2.148 501 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 501 K C 2.020 178.624 176.600 0.007 0.000 1.050 501 K CA 1.272 57.557 56.287 -0.005 0.000 0.942 501 K CB -0.031 32.372 32.500 -0.163 0.000 0.724 501 K HN 0.769 nan 8.250 nan 0.000 0.446 502 S N 0.151 115.864 115.700 0.023 0.000 2.474 502 S HA -0.107 4.362 4.470 -0.000 0.000 0.235 502 S C 0.897 175.482 174.600 -0.026 0.000 0.997 502 S CA 0.727 58.930 58.200 0.005 0.000 0.949 502 S CB -0.223 62.977 63.200 0.001 0.000 0.766 502 S HN 0.306 nan 8.310 nan 0.000 0.517 503 R N -0.440 120.014 120.500 -0.077 0.000 4.010 503 R HA -0.194 4.146 4.340 -0.000 0.000 0.409 503 R C 0.363 176.471 176.300 -0.320 0.000 1.120 503 R CA 0.871 56.891 56.100 -0.134 0.000 1.244 503 R CB -2.355 27.933 30.300 -0.020 0.000 1.799 503 R HN 0.595 nan 8.270 nan 0.000 0.559 504 A N 1.051 123.695 122.820 -0.293 0.000 3.004 504 A HA 0.613 4.933 4.320 -0.000 0.000 0.286 504 A C 0.283 177.463 177.584 -0.674 0.000 1.632 504 A CA 0.551 52.279 52.037 -0.514 0.000 1.339 504 A CB 0.157 19.116 19.000 -0.067 0.000 1.136 504 A HN 0.388 nan 8.150 nan 0.000 0.577 505 A N 1.433 123.558 122.820 -1.158 0.000 2.855 505 A HA 0.668 4.988 4.320 -0.000 0.000 0.313 505 A C -0.668 176.532 177.584 -0.639 0.000 1.173 505 A CA -0.281 51.415 52.037 -0.569 0.000 0.753 505 A CB 0.123 18.927 19.000 -0.325 0.000 1.200 505 A HN 0.540 nan 8.150 nan 0.000 0.442 506 F N 0.675 120.409 119.950 -0.360 0.000 2.772 506 F HA 0.138 4.664 4.527 -0.000 0.000 0.316 506 F C 1.731 177.103 175.800 -0.714 0.000 1.114 506 F CA 0.587 58.180 58.000 -0.679 0.000 1.191 506 F CB 0.317 38.498 39.000 -1.365 0.000 1.065 506 F HN 0.528 nan 8.300 nan 0.000 0.534 507 T N -2.285 111.981 114.554 -0.479 0.000 2.589 507 T HA 0.819 5.169 4.350 -0.000 0.000 0.178 507 T C 0.811 175.121 174.700 -0.650 0.000 0.708 507 T CA 0.167 61.664 62.100 -1.006 0.000 1.734 507 T CB 0.396 68.588 68.868 -1.128 0.000 2.792 507 T HN 0.205 nan 8.240 nan 0.000 0.406 508 G N -0.099 108.338 108.800 -0.605 0.000 2.321 508 G HA2 0.546 4.506 3.960 -0.000 0.000 0.298 508 G HA3 0.546 4.506 3.960 -0.000 0.000 0.298 508 G C -1.231 173.592 174.900 -0.129 0.000 1.385 508 G CA -0.532 44.491 45.100 -0.129 0.000 0.856 508 G HN 0.897 nan 8.290 nan 0.000 0.584 509 A N -0.361 122.369 122.820 -0.151 0.000 2.401 509 A HA 0.773 5.093 4.320 -0.000 0.000 0.259 509 A C -0.660 176.766 177.584 -0.264 0.000 1.103 509 A CA 0.145 51.942 52.037 -0.400 0.000 0.789 509 A CB 0.008 18.158 19.000 -1.417 0.000 1.035 509 A HN 0.784 nan 8.150 nan 0.000 0.491 510 F N 0.682 120.542 119.950 -0.149 0.000 2.556 510 F HA 0.605 5.131 4.527 -0.000 0.000 0.327 510 F C 0.173 176.220 175.800 0.413 0.000 1.059 510 F CA -0.720 57.316 58.000 0.061 0.000 0.953 510 F CB 2.356 41.299 39.000 -0.095 0.000 1.227 510 F HN 0.442 nan 8.300 nan 0.000 0.478 511 V N 1.625 121.892 119.914 0.588 0.000 2.709 511 V HA 0.969 5.088 4.120 -0.000 0.000 0.308 511 V C -0.636 175.751 176.094 0.489 0.000 1.062 511 V CA 0.116 62.814 62.300 0.662 0.000 0.901 511 V CB 1.256 33.505 31.823 0.710 0.000 1.003 511 V HN 0.917 nan 8.190 nan 0.000 0.425 512 G N 5.240 114.362 108.800 0.537 0.000 2.570 512 G HA2 0.526 4.486 3.960 -0.000 0.000 0.310 512 G HA3 0.526 4.486 3.960 -0.000 0.000 0.310 512 G C -1.691 173.444 174.900 0.391 0.000 1.266 512 G CA -0.940 44.319 45.100 0.265 0.000 0.825 512 G HN 0.730 nan 8.290 nan 0.000 0.483 513 M N 1.079 120.725 119.600 0.076 0.000 2.383 513 M HA 0.488 4.967 4.480 -0.000 0.000 0.325 513 M C -0.900 175.445 176.300 0.075 0.000 1.092 513 M CA -0.751 54.478 55.300 -0.117 0.000 0.961 513 M CB 2.328 34.345 32.600 -0.971 0.000 1.672 513 M HN 0.594 nan 8.290 nan 0.000 0.438 514 H N 1.141 120.258 119.070 0.078 0.000 2.768 514 H HA 0.606 5.162 4.556 -0.000 0.000 0.371 514 H C -1.892 173.473 175.328 0.062 0.000 1.151 514 H CA -0.632 55.446 56.048 0.051 0.000 1.165 514 H CB 2.339 31.997 29.762 -0.174 0.000 1.722 514 H HN 0.880 nan 8.280 nan 0.000 0.543 515 C N 5.737 124.950 119.300 -0.146 0.000 2.551 515 C HA 0.530 4.990 4.460 -0.000 0.000 0.332 515 C C -0.738 174.206 174.990 -0.076 0.000 1.139 515 C CA -0.636 58.337 59.018 -0.076 0.000 1.328 515 C CB 0.702 28.383 27.740 -0.098 0.000 1.903 515 C HN 0.975 nan 8.230 nan 0.000 0.459 516 R N 3.532 124.075 120.500 0.072 0.000 2.514 516 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 516 R C -1.547 174.817 176.300 0.108 0.000 0.962 516 R CA -0.144 56.020 56.100 0.107 0.000 0.882 516 R CB 1.302 31.698 30.300 0.161 0.000 1.143 516 R HN 0.775 nan 8.270 nan 0.000 0.452 517 D N 2.983 123.435 120.400 0.088 0.000 2.389 517 D HA 0.246 4.886 4.640 -0.000 0.000 0.256 517 D C 0.454 176.784 176.300 0.050 0.000 1.239 517 D CA -0.362 53.687 54.000 0.082 0.000 0.925 517 D CB 1.486 42.339 40.800 0.087 0.000 1.145 517 D HN 0.782 nan 8.370 nan 0.000 0.542 518 G N 1.426 110.254 108.800 0.046 0.000 2.744 518 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.211 518 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.211 518 G C 1.259 176.159 174.900 0.000 0.000 1.143 518 G CA 0.777 45.898 45.100 0.034 0.000 0.788 518 G HN 0.466 nan 8.290 nan 0.000 0.534 519 S N -0.864 114.821 115.700 -0.026 0.000 2.470 519 S HA 0.346 4.816 4.470 -0.000 0.000 0.222 519 S C 1.809 176.385 174.600 -0.040 0.000 1.024 519 S CA 1.079 59.244 58.200 -0.057 0.000 0.931 519 S CB -0.030 63.105 63.200 -0.109 0.000 0.791 519 S HN 1.400 nan 8.310 nan 0.000 0.513 520 G N 1.175 109.964 108.800 -0.019 0.000 2.149 520 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.235 520 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.235 520 G C 0.252 175.144 174.900 -0.013 0.000 1.018 520 G CA 0.299 45.392 45.100 -0.011 0.000 0.728 520 G HN 0.570 nan 8.290 nan 0.000 0.508 521 Q N -0.640 119.153 119.800 -0.013 0.000 2.280 521 Q HA 0.229 4.569 4.340 -0.000 0.000 0.201 521 Q C 1.231 177.252 176.000 0.036 0.000 0.890 521 Q CA 0.140 55.934 55.803 -0.014 0.000 0.947 521 Q CB 0.265 28.970 28.738 -0.054 0.000 1.081 521 Q HN 0.482 nan 8.270 nan 0.000 0.502 522 N N 1.538 120.282 118.700 0.074 0.000 2.727 522 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 522 N C -0.987 174.701 175.510 0.297 0.000 1.048 522 N CA 0.276 53.429 53.050 0.172 0.000 0.714 522 N CB -0.889 37.663 38.487 0.109 0.000 0.959 522 N HN 0.270 nan 8.380 nan 0.000 0.544 523 N N 0.365 119.172 118.700 0.178 0.000 2.467 523 N HA 0.397 5.137 4.740 -0.000 0.000 0.262 523 N C -0.552 175.076 175.510 0.196 0.000 1.234 523 N CA 0.182 53.291 53.050 0.099 0.000 0.952 523 N CB 0.365 38.844 38.487 -0.014 0.000 1.158 523 N HN 0.334 nan 8.380 nan 0.000 0.463 524 Y N -1.512 118.846 120.300 0.096 0.000 2.615 524 Y HA 0.809 5.359 4.550 -0.000 0.000 0.341 524 Y C -1.314 174.593 175.900 0.010 0.000 1.089 524 Y CA -1.607 56.434 58.100 -0.098 0.000 1.049 524 Y CB 0.720 38.825 38.460 -0.592 0.000 1.296 524 Y HN 0.475 nan 8.280 nan 0.000 0.470 525 A N 1.326 124.175 122.820 0.049 0.000 2.355 525 A HA 0.623 4.943 4.320 -0.000 0.000 0.317 525 A C -1.679 175.847 177.584 -0.096 0.000 1.094 525 A CA -0.755 51.201 52.037 -0.135 0.000 0.764 525 A CB 0.846 19.485 19.000 -0.602 0.000 1.230 525 A HN 0.702 nan 8.150 nan 0.000 0.448 526 D N 1.932 122.273 120.400 -0.099 0.000 2.373 526 D HA 0.439 5.079 4.640 -0.000 0.000 0.227 526 D C -1.145 175.189 176.300 0.057 0.000 1.091 526 D CA 0.483 54.509 54.000 0.044 0.000 0.840 526 D CB 0.655 41.477 40.800 0.036 0.000 1.060 526 D HN 0.331 nan 8.370 nan 0.000 0.502 527 F N 1.510 121.595 119.950 0.225 0.000 2.404 527 F HA 0.112 4.639 4.527 -0.000 0.000 0.358 527 F C 1.708 177.702 175.800 0.323 0.000 1.120 527 F CA -0.683 57.464 58.000 0.244 0.000 1.144 527 F CB 1.262 40.370 39.000 0.180 0.000 1.133 527 F HN 0.176 nan 8.300 nan 0.000 0.495 528 D N 2.572 123.146 120.400 0.292 0.000 2.162 528 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 528 D C -0.265 176.168 176.300 0.222 0.000 0.967 528 D CA 1.498 55.462 54.000 -0.059 0.000 0.840 528 D CB 0.240 40.860 40.800 -0.300 0.000 0.972 528 D HN 0.451 nan 8.370 nan 0.000 0.482 529 Y N -2.855 117.589 120.300 0.240 0.000 2.670 529 Y HA 0.547 5.097 4.550 -0.000 0.000 0.334 529 Y C -1.810 174.231 175.900 0.235 0.000 1.185 529 Y CA -1.947 56.182 58.100 0.049 0.000 1.053 529 Y CB 0.668 39.106 38.460 -0.037 0.000 1.298 529 Y HN -0.203 nan 8.280 nan 0.000 0.459 530 F N 3.660 123.680 119.950 0.116 0.000 2.539 530 F HA 0.688 5.215 4.527 -0.000 0.000 0.318 530 F C -1.943 174.055 175.800 0.330 0.000 1.135 530 F CA -1.118 57.070 58.000 0.313 0.000 0.915 530 F CB 1.678 40.932 39.000 0.424 0.000 1.176 530 F HN 0.707 nan 8.300 nan 0.000 0.440 531 L N 7.884 128.996 121.223 -0.185 0.000 2.346 531 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 531 L C -2.398 174.384 176.870 -0.148 0.000 1.006 531 L CA -1.234 53.584 54.840 -0.037 0.000 0.817 531 L CB 1.185 43.269 42.059 0.041 0.000 1.272 531 L HN 0.649 nan 8.230 nan 0.000 0.421 532 Y N 4.373 124.669 120.300 -0.007 0.000 2.346 532 Y HA 0.619 5.169 4.550 -0.000 0.000 0.332 532 Y C -1.132 174.813 175.900 0.075 0.000 0.985 532 Y CA -0.545 57.572 58.100 0.027 0.000 1.112 532 Y CB 1.238 39.743 38.460 0.076 0.000 1.170 532 Y HN 0.821 nan 8.280 nan 0.000 0.447 533 K N 6.016 126.152 120.400 -0.440 0.000 2.565 533 K HA 0.215 4.535 4.320 -0.000 0.000 0.249 533 K C -1.135 175.194 176.600 -0.452 0.000 0.958 533 K CA -0.624 55.471 56.287 -0.320 0.000 0.806 533 K CB 1.627 34.019 32.500 -0.180 0.000 1.194 533 K HN 0.903 nan 8.250 nan 0.000 0.434 534 E N 4.026 123.951 120.200 -0.458 0.000 2.415 534 E HA 0.067 4.416 4.350 -0.000 0.000 0.262 534 E C -0.408 176.047 176.600 -0.241 0.000 1.038 534 E CA -0.138 55.976 56.400 -0.476 0.000 0.921 534 E CB 0.399 29.653 29.700 -0.743 0.000 0.950 534 E HN 0.544 nan 8.360 nan 0.000 0.438 535 L N 0.000 121.143 121.223 -0.133 0.000 2.949 535 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 535 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 535 L CB 0.000 42.003 42.059 -0.093 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502