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 2exj_1_B DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFGPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.603 176.600 0.006 0.000 0.988 3 K CA 0.000 56.291 56.287 0.007 0.000 0.838 3 K CB 0.000 32.503 32.500 0.005 0.000 1.064 4 I N 3.109 123.692 120.570 0.021 0.000 2.362 4 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 4 I C -0.676 175.465 176.117 0.041 0.000 0.994 4 I CA -0.817 60.498 61.300 0.025 0.000 1.158 4 I CB 1.655 39.667 38.000 0.020 0.000 1.315 4 I HN -0.027 nan 8.210 nan 0.000 0.451 5 K N 6.268 126.693 120.400 0.040 0.000 2.213 5 K HA 0.364 4.684 4.320 -0.000 0.000 0.270 5 K C -0.605 176.018 176.600 0.038 0.000 1.002 5 K CA -0.395 55.919 56.287 0.044 0.000 0.868 5 K CB 0.802 33.329 32.500 0.046 0.000 1.093 5 K HN 0.407 nan 8.250 nan 0.000 0.454 6 N N 4.191 122.915 118.700 0.040 0.000 2.515 6 N HA 0.380 5.120 4.740 -0.000 0.000 0.279 6 N C -2.455 173.073 175.510 0.030 0.000 1.164 6 N CA -1.545 51.516 53.050 0.018 0.000 0.982 6 N CB 0.947 39.451 38.487 0.029 0.000 1.170 6 N HN 0.475 nan 8.380 nan 0.000 0.474 7 P HA 0.212 nan 4.420 nan 0.000 0.275 7 P C 0.913 178.143 177.300 -0.116 0.000 1.228 7 P CA -0.334 62.718 63.100 -0.079 0.000 0.786 7 P CB 0.661 32.306 31.700 -0.092 0.000 0.927 8 I N -0.652 119.807 120.570 -0.185 0.000 2.716 8 I HA 0.082 4.252 4.170 -0.000 0.000 0.259 8 I C 0.125 176.009 176.117 -0.389 0.000 1.172 8 I CA 1.001 62.179 61.300 -0.202 0.000 1.478 8 I CB -0.308 37.584 38.000 -0.180 0.000 1.104 8 I HN 0.060 nan 8.210 nan 0.000 0.439 9 L N 1.670 122.568 121.223 -0.542 0.000 2.325 9 L HA 0.504 4.843 4.340 -0.000 0.000 0.281 9 L C -0.385 176.160 176.870 -0.541 0.000 1.004 9 L CA -0.269 54.087 54.840 -0.806 0.000 0.823 9 L CB 1.702 42.999 42.059 -1.271 0.000 1.236 9 L HN -0.038 nan 8.230 nan 0.000 0.415 10 T N 1.844 116.134 114.554 -0.440 0.000 2.859 10 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 10 T C 0.294 174.948 174.700 -0.076 0.000 1.005 10 T CA 0.666 62.632 62.100 -0.223 0.000 1.025 10 T CB 1.718 70.421 68.868 -0.275 0.000 0.977 10 T HN 0.975 nan 8.240 nan 0.000 0.458 11 G N 2.634 111.384 108.800 -0.083 0.000 2.804 11 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.230 11 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.230 11 G C -0.260 174.672 174.900 0.054 0.000 1.386 11 G CA -0.401 44.668 45.100 -0.051 0.000 0.875 11 G HN 0.905 nan 8.290 nan 0.000 0.557 12 F N 2.266 122.072 119.950 -0.241 0.000 2.408 12 F HA 0.342 4.869 4.527 -0.000 0.000 0.361 12 F C 0.794 176.309 175.800 -0.475 0.000 1.108 12 F CA 0.473 58.325 58.000 -0.248 0.000 0.982 12 F CB -0.870 37.989 39.000 -0.235 0.000 0.980 12 F HN 0.525 nan 8.300 nan 0.000 0.557 13 H N 5.019 124.006 119.070 -0.139 0.000 2.695 13 H HA 0.298 4.853 4.556 -0.000 0.000 0.222 13 H C -2.604 172.655 175.328 -0.115 0.000 1.412 13 H CA -1.299 54.597 56.048 -0.252 0.000 1.347 13 H CB 0.395 29.979 29.762 -0.298 0.000 1.858 13 H HN 0.333 nan 8.280 nan 0.000 0.519 14 P HA 0.130 nan 4.420 nan 0.000 0.279 14 P C -0.178 177.139 177.300 0.029 0.000 1.276 14 P CA -0.340 62.817 63.100 0.094 0.000 0.801 14 P CB 0.723 32.546 31.700 0.205 0.000 1.127 15 D N -2.322 118.060 120.400 -0.031 0.000 2.697 15 D HA -0.110 4.529 4.640 -0.000 0.000 0.238 15 D C -2.029 174.317 176.300 0.077 0.000 1.152 15 D CA 0.439 54.351 54.000 -0.146 0.000 0.666 15 D CB -1.660 38.995 40.800 -0.241 0.000 1.037 15 D HN 0.349 nan 8.370 nan 0.000 0.423 16 P HA 0.069 nan 4.420 nan 0.000 0.271 16 P C -0.205 177.217 177.300 0.204 0.000 1.226 16 P CA 0.085 63.245 63.100 0.099 0.000 0.765 16 P CB 1.343 33.050 31.700 0.013 0.000 0.835 17 S N 4.356 120.169 115.700 0.189 0.000 2.461 17 S HA 0.388 4.857 4.470 -0.000 0.000 0.322 17 S C -0.144 174.568 174.600 0.186 0.000 1.063 17 S CA -0.877 57.452 58.200 0.216 0.000 1.120 17 S CB -0.477 62.862 63.200 0.233 0.000 0.968 17 S HN 0.416 nan 8.310 nan 0.000 0.467 18 I N 5.056 125.752 120.570 0.210 0.000 2.428 18 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 18 I C -0.431 175.877 176.117 0.319 0.000 1.019 18 I CA -0.371 61.093 61.300 0.272 0.000 1.351 18 I CB 0.663 38.835 38.000 0.286 0.000 1.412 18 I HN 0.738 nan 8.210 nan 0.000 0.513 19 C N 8.404 127.937 119.300 0.389 0.000 2.431 19 C HA 0.520 4.979 4.460 -0.000 0.000 0.321 19 C C -0.335 174.883 174.990 0.380 0.000 1.202 19 C CA -0.660 58.600 59.018 0.404 0.000 1.398 19 C CB 1.121 29.133 27.740 0.453 0.000 2.047 19 C HN 0.920 nan 8.230 nan 0.000 0.465 20 R N 4.268 124.905 120.500 0.227 0.000 2.407 20 R HA 0.754 5.093 4.340 -0.000 0.000 0.303 20 R C -1.553 174.714 176.300 -0.055 0.000 0.981 20 R CA -0.286 55.775 56.100 -0.065 0.000 0.905 20 R CB 1.442 31.689 30.300 -0.089 0.000 1.099 20 R HN 0.663 nan 8.270 nan 0.000 0.459 21 V N 4.895 124.691 119.914 -0.197 0.000 2.516 21 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 21 V C 0.757 176.690 176.094 -0.267 0.000 0.992 21 V CA 0.112 62.253 62.300 -0.266 0.000 0.857 21 V CB 0.652 32.248 31.823 -0.377 0.000 1.047 21 V HN 1.191 nan 8.190 nan 0.000 0.455 22 G N 4.720 113.381 108.800 -0.232 0.000 2.557 22 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.292 22 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.292 22 G C 0.420 175.144 174.900 -0.293 0.000 1.162 22 G CA 0.704 45.680 45.100 -0.207 0.000 0.964 22 G HN 0.956 nan 8.290 nan 0.000 0.541 23 D N 1.229 121.431 120.400 -0.330 0.000 2.462 23 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 23 D C -0.371 175.804 176.300 -0.207 0.000 1.173 23 D CA 0.092 53.865 54.000 -0.378 0.000 0.831 23 D CB 0.102 40.485 40.800 -0.695 0.000 1.001 23 D HN 0.295 nan 8.370 nan 0.000 0.499 24 D N 0.650 120.854 120.400 -0.327 0.000 2.198 24 D HA 0.224 4.864 4.640 -0.000 0.000 0.245 24 D C -0.720 175.165 176.300 -0.692 0.000 1.079 24 D CA -0.192 53.630 54.000 -0.297 0.000 0.854 24 D CB 0.930 41.691 40.800 -0.064 0.000 1.148 24 D HN 0.122 nan 8.370 nan 0.000 0.456 25 Y N 1.395 121.405 120.300 -0.484 0.000 2.364 25 Y HA 0.400 4.950 4.550 -0.000 0.000 0.340 25 Y C -0.501 175.219 175.900 -0.299 0.000 0.975 25 Y CA -0.891 57.051 58.100 -0.264 0.000 1.089 25 Y CB 1.330 39.708 38.460 -0.137 0.000 1.192 25 Y HN 0.246 nan 8.280 nan 0.000 0.454 26 Y N 3.043 123.618 120.300 0.458 0.000 2.462 26 Y HA 0.669 5.219 4.550 -0.000 0.000 0.346 26 Y C -0.557 175.574 175.900 0.385 0.000 0.976 26 Y CA -1.092 57.271 58.100 0.437 0.000 1.044 26 Y CB 1.919 40.554 38.460 0.291 0.000 1.230 26 Y HN 0.362 nan 8.280 nan 0.000 0.455 27 I N 2.764 123.609 120.570 0.459 0.000 2.447 27 I HA 0.618 4.788 4.170 -0.000 0.000 0.287 27 I C -0.641 175.590 176.117 0.189 0.000 1.023 27 I CA -0.825 60.589 61.300 0.189 0.000 1.083 27 I CB 1.586 39.480 38.000 -0.177 0.000 1.245 27 I HN 0.732 nan 8.210 nan 0.000 0.434 28 A N 6.691 129.597 122.820 0.143 0.000 2.312 28 A HA 0.846 5.166 4.320 -0.000 0.000 0.326 28 A C -0.429 177.194 177.584 0.065 0.000 1.172 28 A CA -0.469 51.618 52.037 0.084 0.000 0.821 28 A CB 1.318 20.341 19.000 0.039 0.000 1.166 28 A HN 0.581 nan 8.150 nan 0.000 0.493 29 V N 0.118 120.051 119.914 0.032 0.000 3.001 29 V HA 0.845 4.965 4.120 -0.000 0.000 0.314 29 V C 0.118 176.168 176.094 -0.073 0.000 1.099 29 V CA -0.400 61.897 62.300 -0.005 0.000 0.989 29 V CB 1.351 33.169 31.823 -0.008 0.000 1.040 29 V HN 1.166 nan 8.190 nan 0.000 0.434 30 S N 1.132 116.785 115.700 -0.078 0.000 2.585 30 S HA 0.458 4.928 4.470 -0.000 0.000 0.273 30 S C 0.753 175.277 174.600 -0.127 0.000 1.339 30 S CA 0.240 58.350 58.200 -0.151 0.000 1.028 30 S CB 0.949 63.992 63.200 -0.260 0.000 0.906 30 S HN 1.463 nan 8.310 nan 0.000 0.528 31 T N -2.262 112.250 114.554 -0.070 0.000 3.016 31 T HA 0.337 4.687 4.350 -0.000 0.000 0.271 31 T C 0.465 175.514 174.700 0.582 0.000 0.968 31 T CA -0.300 61.927 62.100 0.212 0.000 0.891 31 T CB -0.799 68.098 68.868 0.049 0.000 1.149 31 T HN 0.520 nan 8.240 nan 0.000 0.524 32 F N 2.741 122.904 119.950 0.355 0.000 2.512 32 F HA -0.348 4.178 4.527 -0.000 0.000 0.290 32 F C 1.869 177.803 175.800 0.224 0.000 1.459 32 F CA 1.907 60.098 58.000 0.318 0.000 1.366 32 F CB -1.057 38.120 39.000 0.295 0.000 3.242 32 F HN 0.318 nan 8.300 nan 0.000 0.190 33 E N 0.570 120.953 120.200 0.306 0.000 2.511 33 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 33 E C -0.020 176.520 176.600 -0.100 0.000 1.066 33 E CA 0.690 57.097 56.400 0.013 0.000 0.871 33 E CB -0.391 29.209 29.700 -0.167 0.000 0.863 33 E HN 0.504 nan 8.360 nan 0.000 0.520 34 W N 1.011 122.389 121.300 0.130 0.000 2.316 34 W HA 0.373 5.033 4.660 -0.000 0.000 0.311 34 W C -0.273 176.305 176.519 0.098 0.000 1.217 34 W CA -0.822 56.565 57.345 0.070 0.000 1.199 34 W CB 0.493 30.014 29.460 0.102 0.000 1.202 34 W HN -0.109 nan 8.180 nan 0.000 0.528 35 F N 6.630 126.696 119.950 0.193 0.000 2.495 35 F HA 0.549 5.076 4.527 -0.000 0.000 0.327 35 F C -1.860 173.978 175.800 0.062 0.000 1.103 35 F CA -3.063 54.978 58.000 0.070 0.000 0.949 35 F CB 1.232 40.230 39.000 -0.003 0.000 1.142 35 F HN 0.086 nan 8.300 nan 0.000 0.457 36 P HA 0.254 nan 4.420 nan 0.000 0.277 36 P C -0.657 176.248 177.300 -0.657 0.000 1.271 36 P CA -0.313 61.985 63.100 -1.337 0.000 0.795 36 P CB 0.781 31.915 31.700 -0.945 0.000 1.101 37 G N -0.617 107.779 108.800 -0.673 0.000 2.395 37 G HA2 0.473 4.433 3.960 -0.000 0.000 0.283 37 G HA3 0.473 4.433 3.960 -0.000 0.000 0.283 37 G C -0.573 174.086 174.900 -0.401 0.000 1.178 37 G CA -0.462 44.396 45.100 -0.403 0.000 0.837 37 G HN 0.447 nan 8.290 nan 0.000 0.518 38 V N 0.888 120.624 119.914 -0.297 0.000 3.553 38 V HA -0.184 3.936 4.120 -0.000 0.000 0.508 38 V C -0.509 175.424 176.094 -0.268 0.000 0.682 38 V CA 0.256 62.390 62.300 -0.276 0.000 2.060 38 V CB -0.718 30.904 31.823 -0.334 0.000 2.485 38 V HN 1.087 nan 8.190 nan 0.000 0.510 39 R N 4.326 124.709 120.500 -0.194 0.000 2.437 39 R HA 0.758 5.098 4.340 -0.000 0.000 0.310 39 R C -0.759 175.471 176.300 -0.117 0.000 0.955 39 R CA -0.665 55.317 56.100 -0.196 0.000 0.851 39 R CB 1.633 31.869 30.300 -0.107 0.000 1.161 39 R HN 0.711 nan 8.270 nan 0.000 0.446 40 I N 3.357 123.807 120.570 -0.200 0.000 2.378 40 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 40 I C -0.632 175.424 176.117 -0.101 0.000 0.992 40 I CA -0.934 60.337 61.300 -0.049 0.000 1.154 40 I CB 0.927 38.893 38.000 -0.056 0.000 1.315 40 I HN 0.352 nan 8.210 nan 0.000 0.448 41 Y N 4.448 124.835 120.300 0.145 0.000 2.420 41 Y HA 0.431 4.981 4.550 -0.000 0.000 0.334 41 Y C 0.180 176.373 175.900 0.489 0.000 1.094 41 Y CA -0.471 57.776 58.100 0.247 0.000 1.126 41 Y CB 1.251 39.828 38.460 0.195 0.000 1.217 41 Y HN 0.484 nan 8.280 nan 0.000 0.462 42 H N 0.992 120.285 119.070 0.373 0.000 2.621 42 H HA 0.701 5.257 4.556 -0.000 0.000 0.360 42 H C -1.390 173.894 175.328 -0.074 0.000 1.163 42 H CA -0.371 55.737 56.048 0.101 0.000 1.194 42 H CB 2.224 31.941 29.762 -0.076 0.000 1.649 42 H HN 0.656 nan 8.280 nan 0.000 0.532 43 S N 2.455 117.558 115.700 -0.996 0.000 2.550 43 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 43 S C -0.128 174.049 174.600 -0.706 0.000 1.145 43 S CA -0.739 56.907 58.200 -0.922 0.000 0.852 43 S CB 1.665 63.721 63.200 -1.907 0.000 1.119 43 S HN 0.702 nan 8.310 nan 0.000 0.465 44 K N 1.272 121.464 120.400 -0.346 0.000 2.348 44 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 44 K C 0.355 176.819 176.600 -0.227 0.000 1.052 44 K CA 0.982 57.169 56.287 -0.168 0.000 1.004 44 K CB 0.074 32.520 32.500 -0.089 0.000 0.873 44 K HN 0.805 nan 8.250 nan 0.000 0.523 45 D N -0.829 119.333 120.400 -0.396 0.000 2.500 45 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 45 D C 0.910 176.919 176.300 -0.485 0.000 1.159 45 D CA -0.201 53.567 54.000 -0.385 0.000 0.828 45 D CB 0.064 40.684 40.800 -0.300 0.000 1.039 45 D HN 0.017 nan 8.370 nan 0.000 0.512 46 L N -1.212 119.621 121.223 -0.649 0.000 5.174 46 L HA -0.346 3.994 4.340 -0.000 0.000 0.420 46 L C 1.702 178.513 176.870 -0.099 0.000 0.973 46 L CA 1.623 56.208 54.840 -0.425 0.000 1.381 46 L CB -1.199 40.573 42.059 -0.479 0.000 1.819 46 L HN 0.222 nan 8.230 nan 0.000 0.645 47 K N 0.463 120.707 120.400 -0.259 0.000 2.108 47 K HA 0.087 4.407 4.320 -0.000 0.000 0.204 47 K C 0.712 177.281 176.600 -0.051 0.000 1.036 47 K CA 0.538 56.786 56.287 -0.065 0.000 0.965 47 K CB 0.335 32.766 32.500 -0.114 0.000 0.804 47 K HN 0.226 nan 8.250 nan 0.000 0.454 48 N N 0.319 118.860 118.700 -0.265 0.000 2.421 48 N HA 0.130 4.870 4.740 -0.000 0.000 0.285 48 N C -1.536 173.940 175.510 -0.057 0.000 1.027 48 N CA -0.100 52.917 53.050 -0.056 0.000 0.918 48 N CB 0.929 39.306 38.487 -0.183 0.000 1.152 48 N HN 0.124 nan 8.380 nan 0.000 0.485 49 W N 0.977 122.488 121.300 0.351 0.000 2.998 49 W HA 0.434 5.094 4.660 -0.000 0.000 0.335 49 W C 0.262 176.890 176.519 0.181 0.000 1.110 49 W CA -0.896 56.583 57.345 0.223 0.000 1.230 49 W CB 1.832 31.318 29.460 0.043 0.000 1.405 49 W HN 0.251 nan 8.180 nan 0.000 0.493 50 R N 3.030 123.651 120.500 0.202 0.000 2.628 50 R HA 0.635 4.975 4.340 -0.000 0.000 0.288 50 R C -1.503 174.803 176.300 0.011 0.000 0.980 50 R CA -0.996 55.096 56.100 -0.013 0.000 0.891 50 R CB 1.583 31.483 30.300 -0.667 0.000 1.188 50 R HN 0.643 nan 8.270 nan 0.000 0.450 51 L N 5.659 126.782 121.223 -0.166 0.000 2.462 51 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 51 L C 0.403 177.099 176.870 -0.290 0.000 1.166 51 L CA 0.581 55.050 54.840 -0.618 0.000 0.880 51 L CB 1.551 43.072 42.059 -0.895 0.000 1.142 51 L HN 0.718 nan 8.230 nan 0.000 0.473 52 V N 1.802 121.565 119.914 -0.253 0.000 3.473 52 V HA 0.726 4.846 4.120 -0.000 0.000 0.253 52 V C 0.472 176.489 176.094 -0.128 0.000 1.340 52 V CA 0.455 62.674 62.300 -0.134 0.000 1.103 52 V CB -0.259 31.518 31.823 -0.077 0.000 0.881 52 V HN 0.876 nan 8.190 nan 0.000 0.451 53 A N 0.582 123.295 122.820 -0.179 0.000 2.515 53 A HA 0.877 5.197 4.320 -0.000 0.000 0.298 53 A C -0.564 176.877 177.584 -0.238 0.000 1.059 53 A CA -0.820 51.122 52.037 -0.158 0.000 0.698 53 A CB 1.533 20.481 19.000 -0.087 0.000 1.289 53 A HN 0.315 nan 8.150 nan 0.000 0.404 54 R N 2.488 122.851 120.500 -0.227 0.000 2.651 54 R HA 0.274 4.614 4.340 -0.000 0.000 0.282 54 R C -2.166 173.927 176.300 -0.345 0.000 1.565 54 R CA -1.550 54.374 56.100 -0.294 0.000 1.661 54 R CB 1.263 31.409 30.300 -0.257 0.000 1.189 54 R HN 0.490 nan 8.270 nan 0.000 0.621 55 P HA -0.149 nan 4.420 nan 0.000 0.218 55 P C 0.190 177.192 177.300 -0.497 0.000 1.148 55 P CA 1.101 63.797 63.100 -0.672 0.000 0.822 55 P CB 0.330 31.128 31.700 -1.504 0.000 0.784 56 L N 1.101 122.003 121.223 -0.534 0.000 2.397 56 L HA 0.242 4.582 4.340 -0.000 0.000 0.263 56 L C 0.639 177.223 176.870 -0.477 0.000 1.136 56 L CA -0.264 54.287 54.840 -0.481 0.000 1.019 56 L CB -0.521 41.168 42.059 -0.617 0.000 1.352 56 L HN 0.013 nan 8.230 nan 0.000 0.420 57 N N 0.357 118.886 118.700 -0.284 0.000 2.170 57 N HA 0.105 4.845 4.740 -0.000 0.000 0.222 57 N C 0.140 175.743 175.510 0.154 0.000 1.218 57 N CA -0.473 52.449 53.050 -0.212 0.000 0.889 57 N CB 0.609 38.993 38.487 -0.172 0.000 1.083 57 N HN 0.290 nan 8.380 nan 0.000 0.520 58 R N 0.283 120.852 120.500 0.117 0.000 2.562 58 R HA 0.394 4.733 4.340 -0.000 0.000 0.298 58 R C 0.768 177.154 176.300 0.145 0.000 0.961 58 R CA -0.794 55.390 56.100 0.140 0.000 0.881 58 R CB 1.849 32.190 30.300 0.069 0.000 1.159 58 R HN -0.014 nan 8.270 nan 0.000 0.450 59 L N 1.164 122.449 121.223 0.103 0.000 2.151 59 L HA -0.313 4.026 4.340 -0.000 0.000 0.215 59 L C 2.231 179.120 176.870 0.031 0.000 1.084 59 L CA 2.109 56.975 54.840 0.045 0.000 0.764 59 L CB -0.591 41.462 42.059 -0.009 0.000 0.891 59 L HN 0.764 nan 8.230 nan 0.000 0.435 60 S N -1.298 114.419 115.700 0.028 0.000 2.423 60 S HA -0.204 4.266 4.470 -0.000 0.000 0.231 60 S C 1.756 176.357 174.600 0.001 0.000 1.014 60 S CA 0.844 59.052 58.200 0.014 0.000 0.965 60 S CB -0.097 63.116 63.200 0.022 0.000 0.785 60 S HN 0.538 nan 8.310 nan 0.000 0.495 61 Q N -0.345 119.467 119.800 0.019 0.000 2.259 61 Q HA 0.412 4.751 4.340 -0.000 0.000 0.201 61 Q C -0.464 175.537 176.000 0.001 0.000 0.938 61 Q CA 0.448 56.257 55.803 0.011 0.000 0.872 61 Q CB 0.275 29.002 28.738 -0.019 0.000 0.971 61 Q HN 0.473 nan 8.270 nan 0.000 0.494 62 L N 1.248 122.494 121.223 0.039 0.000 2.611 62 L HA 0.409 4.749 4.340 -0.000 0.000 0.263 62 L C -2.028 174.925 176.870 0.138 0.000 0.969 62 L CA -0.405 54.486 54.840 0.086 0.000 0.894 62 L CB 1.800 43.888 42.059 0.048 0.000 1.229 62 L HN -0.108 nan 8.230 nan 0.000 0.416 63 N N 5.530 124.277 118.700 0.078 0.000 2.479 63 N HA 0.503 5.243 4.740 -0.000 0.000 0.261 63 N C -0.487 175.045 175.510 0.037 0.000 0.979 63 N CA -0.280 52.792 53.050 0.036 0.000 0.930 63 N CB 1.320 39.815 38.487 0.012 0.000 1.172 63 N HN 0.759 nan 8.380 nan 0.000 0.499 64 M N 3.169 122.773 119.600 0.006 0.000 2.502 64 M HA 0.305 4.785 4.480 -0.000 0.000 0.351 64 M C 0.429 176.677 176.300 -0.087 0.000 1.118 64 M CA -0.390 54.905 55.300 -0.007 0.000 0.952 64 M CB 0.710 33.333 32.600 0.038 0.000 1.424 64 M HN 0.423 nan 8.290 nan 0.000 0.529 65 I N 1.365 121.877 120.570 -0.097 0.000 2.683 65 I HA 0.004 4.174 4.170 -0.000 0.000 0.286 65 I C 1.267 177.240 176.117 -0.240 0.000 1.175 65 I CA 1.470 62.682 61.300 -0.145 0.000 1.429 65 I CB 0.622 38.598 38.000 -0.041 0.000 1.371 65 I HN 0.711 nan 8.210 nan 0.000 0.569 66 G N 4.584 113.009 108.800 -0.625 0.000 2.212 66 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.266 66 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.266 66 G C 0.352 175.015 174.900 -0.395 0.000 0.978 66 G CA 0.187 44.768 45.100 -0.865 0.000 0.632 66 G HN 0.647 nan 8.290 nan 0.000 0.537 67 N N 2.234 120.791 118.700 -0.239 0.000 2.345 67 N HA 0.343 5.083 4.740 -0.000 0.000 0.243 67 N C -1.671 173.776 175.510 -0.104 0.000 1.246 67 N CA -0.151 52.832 53.050 -0.113 0.000 0.863 67 N CB 0.735 39.196 38.487 -0.044 0.000 1.096 67 N HN 0.327 nan 8.380 nan 0.000 0.446 68 P HA 0.128 nan 4.420 nan 0.000 0.276 68 P C -0.926 176.386 177.300 0.020 0.000 1.244 68 P CA -0.432 62.663 63.100 -0.008 0.000 0.801 68 P CB 0.612 32.332 31.700 0.034 0.000 1.006 69 D N 0.604 121.002 120.400 -0.002 0.000 2.583 69 D HA -0.034 4.606 4.640 -0.000 0.000 0.232 69 D C 0.786 177.119 176.300 0.054 0.000 1.128 69 D CA 1.131 55.126 54.000 -0.009 0.000 0.859 69 D CB -0.321 40.462 40.800 -0.028 0.000 1.169 69 D HN 0.325 nan 8.370 nan 0.000 0.481 70 S N -0.224 115.526 115.700 0.083 0.000 3.382 70 S HA -0.126 4.343 4.470 -0.000 0.000 0.293 70 S C 0.791 175.750 174.600 0.599 0.000 1.262 70 S CA 0.760 59.070 58.200 0.184 0.000 0.969 70 S CB -1.061 62.097 63.200 -0.071 0.000 1.136 70 S HN 0.774 nan 8.310 nan 0.000 0.635 71 G N -0.329 108.765 108.800 0.490 0.000 2.641 71 G HA2 0.730 4.690 3.960 -0.000 0.000 0.239 71 G HA3 0.730 4.690 3.960 -0.000 0.000 0.239 71 G C 0.908 176.114 174.900 0.509 0.000 1.402 71 G CA 0.374 45.801 45.100 0.545 0.000 1.046 71 G HN 1.491 nan 8.290 nan 0.000 0.565 72 G N -1.809 107.150 108.800 0.265 0.000 2.523 72 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.271 72 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.271 72 G C 0.046 175.069 174.900 0.204 0.000 1.146 72 G CA 0.263 45.479 45.100 0.194 0.000 0.961 72 G HN 1.490 nan 8.290 nan 0.000 0.549 73 V N 1.783 121.760 119.914 0.106 0.000 2.338 73 V HA 0.421 4.541 4.120 -0.000 0.000 0.255 73 V C 0.597 176.514 176.094 -0.296 0.000 1.082 73 V CA -0.148 62.150 62.300 -0.003 0.000 0.951 73 V CB -0.174 31.618 31.823 -0.052 0.000 1.102 73 V HN 0.459 nan 8.190 nan 0.000 0.489 74 W N 2.246 123.277 121.300 -0.448 0.000 1.807 74 W HA 0.574 5.234 4.660 -0.000 0.000 0.493 74 W C 1.020 177.387 176.519 -0.252 0.000 2.080 74 W CA -0.782 56.255 57.345 -0.513 0.000 2.345 74 W CB 0.015 29.355 29.460 -0.200 0.000 1.717 74 W HN 0.496 nan 8.180 nan 0.000 0.777 75 A N 4.127 127.053 122.820 0.176 0.000 2.563 75 A HA 0.168 4.488 4.320 -0.000 0.000 0.256 75 A C -1.933 175.799 177.584 0.246 0.000 1.056 75 A CA -0.454 51.691 52.037 0.179 0.000 0.775 75 A CB -1.382 17.791 19.000 0.289 0.000 0.973 75 A HN 0.197 nan 8.150 nan 0.000 0.516 76 P HA 0.302 nan 4.420 nan 0.000 0.283 76 P C -0.944 176.572 177.300 0.360 0.000 1.271 76 P CA -0.270 62.976 63.100 0.243 0.000 0.841 76 P CB 1.170 32.943 31.700 0.121 0.000 1.122 77 H N 1.020 120.238 119.070 0.248 0.000 2.689 77 H HA 0.466 5.022 4.556 -0.000 0.000 0.346 77 H C -1.644 173.854 175.328 0.283 0.000 1.037 77 H CA -0.820 55.398 56.048 0.283 0.000 1.234 77 H CB 1.642 31.587 29.762 0.306 0.000 1.572 77 H HN 0.227 nan 8.280 nan 0.000 0.524 78 L N 5.021 126.124 121.223 -0.201 0.000 2.325 78 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 78 L C -0.868 175.959 176.870 -0.071 0.000 1.004 78 L CA -0.144 54.702 54.840 0.010 0.000 0.823 78 L CB 1.387 43.528 42.059 0.136 0.000 1.236 78 L HN 0.673 nan 8.230 nan 0.000 0.415 79 S N 3.386 119.224 115.700 0.229 0.000 2.697 79 S HA 0.696 5.165 4.470 -0.000 0.000 0.289 79 S C -1.298 173.627 174.600 0.541 0.000 1.149 79 S CA -0.705 57.712 58.200 0.361 0.000 0.850 79 S CB 1.570 65.055 63.200 0.475 0.000 1.151 79 S HN 0.552 nan 8.310 nan 0.000 0.491 80 Y N 0.351 120.776 120.300 0.208 0.000 2.406 80 Y HA 0.698 5.247 4.550 -0.000 0.000 0.340 80 Y C -0.662 175.183 175.900 -0.092 0.000 0.975 80 Y CA -0.057 58.054 58.100 0.018 0.000 1.056 80 Y CB 1.956 40.258 38.460 -0.264 0.000 1.210 80 Y HN 1.025 nan 8.280 nan 0.000 0.448 81 S N 4.235 119.696 115.700 -0.398 0.000 2.535 81 S HA 0.370 4.840 4.470 -0.000 0.000 0.272 81 S C -1.767 172.739 174.600 -0.157 0.000 1.149 81 S CA -0.591 57.405 58.200 -0.339 0.000 0.888 81 S CB 0.775 63.446 63.200 -0.882 0.000 1.110 81 S HN 0.829 nan 8.310 nan 0.000 0.463 82 D N 2.565 122.876 120.400 -0.148 0.000 2.699 82 D HA -0.141 4.499 4.640 -0.000 0.000 0.239 82 D C 0.907 177.106 176.300 -0.168 0.000 1.136 82 D CA 2.029 55.992 54.000 -0.063 0.000 0.668 82 D CB -1.623 39.226 40.800 0.082 0.000 1.060 82 D HN 1.619 nan 8.370 nan 0.000 0.429 83 G N -0.042 108.579 108.800 -0.298 0.000 2.203 83 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.263 83 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.263 83 G C 0.323 174.932 174.900 -0.485 0.000 1.012 83 G CA 1.451 46.379 45.100 -0.286 0.000 0.749 83 G HN 0.872 nan 8.290 nan 0.000 0.512 84 K N -1.905 117.961 120.400 -0.890 0.000 2.499 84 K HA 0.786 5.106 4.320 -0.000 0.000 0.277 84 K C -1.146 174.833 176.600 -1.036 0.000 1.025 84 K CA -1.433 54.350 56.287 -0.840 0.000 0.900 84 K CB 1.059 33.160 32.500 -0.664 0.000 1.494 84 K HN -0.029 nan 8.250 nan 0.000 0.442 85 F N 0.743 120.376 119.950 -0.527 0.000 2.404 85 F HA 0.435 4.962 4.527 -0.000 0.000 0.339 85 F C -0.865 174.790 175.800 -0.242 0.000 1.105 85 F CA 0.008 57.903 58.000 -0.174 0.000 1.087 85 F CB 1.058 39.959 39.000 -0.165 0.000 1.143 85 F HN 0.375 nan 8.300 nan 0.000 0.491 86 W N 5.767 127.297 121.300 0.382 0.000 2.471 86 W HA 0.614 5.273 4.660 -0.000 0.000 0.318 86 W C -1.329 175.456 176.519 0.444 0.000 1.034 86 W CA -0.792 56.781 57.345 0.380 0.000 1.224 86 W CB 1.376 31.017 29.460 0.303 0.000 1.335 86 W HN 0.164 nan 8.180 nan 0.000 0.452 87 L N 6.093 127.703 121.223 0.646 0.000 2.342 87 L HA 0.575 4.915 4.340 -0.000 0.000 0.276 87 L C -1.030 176.068 176.870 0.379 0.000 0.997 87 L CA -0.739 54.332 54.840 0.386 0.000 0.838 87 L CB 0.297 42.354 42.059 -0.003 0.000 1.224 87 L HN 0.204 nan 8.230 nan 0.000 0.416 88 I N 6.134 126.921 120.570 0.362 0.000 2.342 88 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 88 I C -0.182 176.132 176.117 0.328 0.000 1.010 88 I CA -0.398 61.074 61.300 0.286 0.000 1.308 88 I CB 0.378 38.519 38.000 0.236 0.000 1.400 88 I HN 0.685 nan 8.210 nan 0.000 0.488 89 Y N 2.583 122.971 120.300 0.147 0.000 2.634 89 Y HA 0.822 5.372 4.550 -0.000 0.000 0.340 89 Y C -0.529 175.462 175.900 0.151 0.000 1.058 89 Y CA -1.070 57.110 58.100 0.132 0.000 1.081 89 Y CB 1.315 39.824 38.460 0.081 0.000 1.295 89 Y HN 0.414 nan 8.280 nan 0.000 0.487 90 T N 1.435 116.131 114.554 0.236 0.000 2.829 90 T HA 0.251 4.601 4.350 -0.000 0.000 0.280 90 T C -1.643 173.183 174.700 0.210 0.000 0.999 90 T CA -0.603 61.561 62.100 0.106 0.000 0.983 90 T CB 1.334 70.208 68.868 0.010 0.000 0.968 90 T HN 0.651 nan 8.240 nan 0.000 0.446 91 D N 2.745 123.267 120.400 0.204 0.000 2.443 91 D HA 0.312 4.952 4.640 -0.000 0.000 0.221 91 D C -0.479 175.777 176.300 -0.074 0.000 1.097 91 D CA -0.480 53.619 54.000 0.166 0.000 0.865 91 D CB 0.553 41.541 40.800 0.313 0.000 1.034 91 D HN 0.168 nan 8.370 nan 0.000 0.511 92 V N 5.871 125.668 119.914 -0.195 0.000 2.455 92 V HA 0.146 4.266 4.120 -0.000 0.000 0.273 92 V C 1.429 177.408 176.094 -0.191 0.000 1.045 92 V CA -0.172 61.889 62.300 -0.398 0.000 0.976 92 V CB 1.387 32.652 31.823 -0.930 0.000 0.993 92 V HN 0.447 nan 8.190 nan 0.000 0.475 93 K N 3.261 123.530 120.400 -0.218 0.000 2.335 93 K HA 0.261 4.581 4.320 -0.000 0.000 0.195 93 K C -0.050 176.502 176.600 -0.080 0.000 1.058 93 K CA 0.585 56.802 56.287 -0.117 0.000 0.988 93 K CB 1.040 33.466 32.500 -0.123 0.000 0.880 93 K HN 0.446 nan 8.250 nan 0.000 0.513 94 V N 2.111 121.951 119.914 -0.123 0.000 2.483 94 V HA 0.146 4.266 4.120 -0.000 0.000 0.297 94 V C 0.468 176.531 176.094 -0.052 0.000 1.027 94 V CA -0.535 61.733 62.300 -0.053 0.000 0.855 94 V CB 1.936 33.741 31.823 -0.031 0.000 0.995 94 V HN 0.032 nan 8.190 nan 0.000 0.424 95 V N 0.937 120.888 119.914 0.062 0.000 3.398 95 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 95 V C 0.270 176.471 176.094 0.178 0.000 1.496 95 V CA 0.217 62.617 62.300 0.166 0.000 1.044 95 V CB 0.225 32.233 31.823 0.308 0.000 0.880 95 V HN 0.757 nan 8.190 nan 0.000 0.443 96 E N 0.504 120.790 120.200 0.144 0.000 2.293 96 E HA 0.672 5.022 4.350 -0.000 0.000 0.270 96 E C 0.109 176.818 176.600 0.181 0.000 0.879 96 E CA -0.073 56.419 56.400 0.154 0.000 0.756 96 E CB 2.213 31.984 29.700 0.118 0.000 1.208 96 E HN 0.608 nan 8.360 nan 0.000 0.428 97 G N 1.425 110.342 108.800 0.195 0.000 2.396 97 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 97 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 97 G C 0.213 175.237 174.900 0.207 0.000 1.248 97 G CA -0.635 44.592 45.100 0.211 0.000 1.033 97 G HN 0.415 nan 8.290 nan 0.000 0.502 98 Q N -0.830 119.030 119.800 0.099 0.000 2.369 98 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 98 Q C 0.619 176.610 176.000 -0.015 0.000 0.963 98 Q CA 1.012 56.727 55.803 -0.146 0.000 0.894 98 Q CB 0.231 28.554 28.738 -0.691 0.000 0.965 98 Q HN 0.510 nan 8.270 nan 0.000 0.475 99 W N 0.495 121.993 121.300 0.329 0.000 2.578 99 W HA 0.342 5.002 4.660 -0.000 0.000 0.346 99 W C 0.470 176.868 176.519 -0.201 0.000 1.075 99 W CA -0.828 56.622 57.345 0.174 0.000 1.233 99 W CB 1.067 30.557 29.460 0.049 0.000 1.358 99 W HN -0.221 nan 8.180 nan 0.000 0.574 100 K N 1.674 121.759 120.400 -0.524 0.000 3.237 100 K HA 0.124 4.444 4.320 -0.000 0.000 0.197 100 K C -0.769 175.512 176.600 -0.531 0.000 1.133 100 K CA -0.168 55.687 56.287 -0.720 0.000 0.944 100 K CB -0.415 31.277 32.500 -1.346 0.000 0.952 100 K HN 0.132 nan 8.250 nan 0.000 0.515 101 D N 0.889 121.110 120.400 -0.298 0.000 2.520 101 D HA 0.254 4.893 4.640 -0.000 0.000 0.243 101 D C 0.360 176.395 176.300 -0.442 0.000 1.160 101 D CA 0.981 54.805 54.000 -0.294 0.000 0.877 101 D CB 1.024 41.709 40.800 -0.193 0.000 1.150 101 D HN 0.491 nan 8.370 nan 0.000 0.494 102 G N 1.624 110.086 108.800 -0.564 0.000 2.655 102 G HA2 0.352 4.311 3.960 -0.000 0.000 0.296 102 G HA3 0.352 4.311 3.960 -0.000 0.000 0.296 102 G C -1.644 172.873 174.900 -0.639 0.000 1.485 102 G CA -0.833 43.862 45.100 -0.675 0.000 0.869 102 G HN 0.392 nan 8.290 nan 0.000 0.540 103 H N 1.266 120.257 119.070 -0.132 0.000 2.489 103 H HA 0.451 5.007 4.556 -0.000 0.000 0.343 103 H C -0.333 174.675 175.328 -0.533 0.000 1.086 103 H CA -0.867 55.035 56.048 -0.243 0.000 1.198 103 H CB 1.742 31.418 29.762 -0.142 0.000 1.490 103 H HN 0.341 nan 8.280 nan 0.000 0.504 104 N N 2.359 120.763 118.700 -0.494 0.000 2.518 104 N HA 0.204 4.944 4.740 -0.000 0.000 0.283 104 N C -0.736 174.269 175.510 -0.841 0.000 1.119 104 N CA -0.044 52.688 53.050 -0.530 0.000 0.983 104 N CB 1.007 39.286 38.487 -0.345 0.000 1.139 104 N HN 0.462 nan 8.380 nan 0.000 0.465 105 Y N 0.038 120.082 120.300 -0.427 0.000 2.524 105 Y HA 0.462 5.011 4.550 -0.000 0.000 0.347 105 Y C -0.331 175.353 175.900 -0.360 0.000 1.005 105 Y CA -1.189 56.635 58.100 -0.459 0.000 1.025 105 Y CB 1.592 39.640 38.460 -0.686 0.000 1.275 105 Y HN 0.285 nan 8.280 nan 0.000 0.460 106 L N 4.191 125.441 121.223 0.045 0.000 2.322 106 L HA 0.936 5.275 4.340 -0.000 0.000 0.281 106 L C -1.076 175.951 176.870 0.261 0.000 1.014 106 L CA -0.811 54.113 54.840 0.139 0.000 0.815 106 L CB 1.429 43.517 42.059 0.048 0.000 1.247 106 L HN 0.476 nan 8.230 nan 0.000 0.421 107 V N 0.966 121.102 119.914 0.369 0.000 2.962 107 V HA 0.968 5.088 4.120 -0.000 0.000 0.313 107 V C -0.323 176.053 176.094 0.470 0.000 1.099 107 V CA 0.078 62.614 62.300 0.393 0.000 0.971 107 V CB 1.553 33.636 31.823 0.432 0.000 1.028 107 V HN 0.995 nan 8.190 nan 0.000 0.430 108 T N -0.778 113.955 114.554 0.298 0.000 2.906 108 T HA 0.804 5.154 4.350 -0.000 0.000 0.295 108 T C -0.813 173.687 174.700 -0.333 0.000 1.075 108 T CA -0.661 61.412 62.100 -0.046 0.000 1.005 108 T CB 1.615 70.231 68.868 -0.420 0.000 1.136 108 T HN 1.491 nan 8.240 nan 0.000 0.498 109 C N 1.157 119.992 119.300 -0.776 0.000 3.006 109 C HA 0.464 4.924 4.460 -0.000 0.000 0.359 109 C C 0.346 175.005 174.990 -0.552 0.000 1.103 109 C CA -0.533 57.967 59.018 -0.862 0.000 1.286 109 C CB 1.089 27.782 27.740 -1.746 0.000 1.694 109 C HN 1.034 nan 8.230 nan 0.000 0.511 110 D N 1.349 121.532 120.400 -0.361 0.000 2.310 110 D HA 0.058 4.698 4.640 -0.000 0.000 0.212 110 D C 0.760 177.027 176.300 -0.056 0.000 0.965 110 D CA 1.339 55.217 54.000 -0.204 0.000 0.879 110 D CB 0.314 41.017 40.800 -0.161 0.000 0.921 110 D HN 0.597 nan 8.370 nan 0.000 0.510 111 T N -0.601 113.868 114.554 -0.141 0.000 2.900 111 T HA 0.269 4.619 4.350 -0.000 0.000 0.295 111 T C 0.861 175.391 174.700 -0.284 0.000 1.044 111 T CA -0.738 61.324 62.100 -0.063 0.000 0.995 111 T CB 1.682 70.492 68.868 -0.097 0.000 1.072 111 T HN -0.268 nan 8.240 nan 0.000 0.473 112 I N 2.607 122.959 120.570 -0.364 0.000 2.335 112 I HA -0.085 4.084 4.170 -0.000 0.000 0.251 112 I C 0.898 176.919 176.117 -0.161 0.000 1.129 112 I CA 1.835 62.724 61.300 -0.686 0.000 1.402 112 I CB 0.172 37.601 38.000 -0.951 0.000 1.069 112 I HN 0.739 nan 8.210 nan 0.000 0.424 113 D N -1.194 119.133 120.400 -0.121 0.000 2.696 113 D HA 0.305 4.945 4.640 -0.000 0.000 0.269 113 D C 0.494 176.784 176.300 -0.015 0.000 1.319 113 D CA -0.109 53.882 54.000 -0.014 0.000 0.826 113 D CB -0.522 40.243 40.800 -0.058 0.000 1.086 113 D HN 0.214 nan 8.370 nan 0.000 0.481 114 G N -0.375 108.379 108.800 -0.076 0.000 2.642 114 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 114 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 114 G C -0.427 174.480 174.900 0.013 0.000 1.345 114 G CA -0.887 44.167 45.100 -0.076 0.000 1.043 114 G HN 0.302 nan 8.290 nan 0.000 0.528 115 A N -0.582 122.237 122.820 -0.003 0.000 2.473 115 A HA 0.424 4.744 4.320 -0.000 0.000 0.282 115 A C -0.399 177.212 177.584 0.046 0.000 1.163 115 A CA -0.333 51.737 52.037 0.054 0.000 0.827 115 A CB -0.552 18.461 19.000 0.021 0.000 1.098 115 A HN 0.422 nan 8.150 nan 0.000 0.515 116 W N 2.246 123.508 121.300 -0.063 0.000 2.112 116 W HA 0.343 5.003 4.660 -0.000 0.000 0.349 116 W C 1.333 177.833 176.519 -0.031 0.000 1.289 116 W CA 0.620 57.932 57.345 -0.054 0.000 1.256 116 W CB 0.487 29.910 29.460 -0.061 0.000 1.148 116 W HN 0.854 nan 8.180 nan 0.000 0.590 117 S N 0.679 116.484 115.700 0.175 0.000 2.606 117 S HA 0.072 4.541 4.470 -0.000 0.000 0.257 117 S C -0.146 174.540 174.600 0.143 0.000 1.327 117 S CA -0.688 57.579 58.200 0.111 0.000 0.984 117 S CB 0.475 63.720 63.200 0.075 0.000 0.941 117 S HN 0.392 nan 8.310 nan 0.000 0.576 118 D N 2.074 122.537 120.400 0.106 0.000 2.344 118 D HA 0.400 5.040 4.640 -0.000 0.000 0.244 118 D C -2.159 174.224 176.300 0.137 0.000 1.134 118 D CA -1.167 52.895 54.000 0.103 0.000 0.930 118 D CB 0.316 41.160 40.800 0.074 0.000 1.175 118 D HN 0.404 nan 8.370 nan 0.000 0.437 119 P HA 0.136 nan 4.420 nan 0.000 0.276 119 P C -0.552 176.874 177.300 0.209 0.000 1.230 119 P CA -0.352 62.850 63.100 0.169 0.000 0.776 119 P CB 0.643 32.358 31.700 0.025 0.000 0.888 120 I N 4.162 124.879 120.570 0.244 0.000 2.297 120 I HA 0.137 4.306 4.170 -0.000 0.000 0.291 120 I C 0.534 176.830 176.117 0.299 0.000 1.033 120 I CA -1.400 60.059 61.300 0.264 0.000 1.253 120 I CB -0.809 37.347 38.000 0.261 0.000 1.396 120 I HN 0.406 nan 8.210 nan 0.000 0.476 121 Y N 7.064 127.506 120.300 0.235 0.000 2.712 121 Y HA 0.032 4.582 4.550 -0.000 0.000 0.333 121 Y C 0.339 176.261 175.900 0.037 0.000 1.225 121 Y CA 0.719 58.889 58.100 0.116 0.000 1.499 121 Y CB 0.784 39.292 38.460 0.080 0.000 1.288 121 Y HN 0.561 nan 8.280 nan 0.000 0.575 122 L N 3.563 124.256 121.223 -0.884 0.000 2.783 122 L HA 0.245 4.585 4.340 -0.000 0.000 0.174 122 L C 0.047 176.423 176.870 -0.824 0.000 1.235 122 L CA 0.155 54.627 54.840 -0.613 0.000 0.862 122 L CB -0.194 41.647 42.059 -0.363 0.000 1.249 122 L HN 0.754 nan 8.230 nan 0.000 0.518 123 N N -3.026 115.156 118.700 -0.862 0.000 3.439 123 N HA 0.238 4.978 4.740 -0.000 0.000 0.313 123 N C -0.512 174.817 175.510 -0.302 0.000 1.598 123 N CA -0.465 52.288 53.050 -0.495 0.000 0.830 123 N CB 1.588 39.961 38.487 -0.190 0.000 1.849 123 N HN -0.180 nan 8.380 nan 0.000 0.598 124 S N -1.394 114.275 115.700 -0.052 0.000 2.998 124 S HA 0.106 4.576 4.470 -0.000 0.000 0.256 124 S C 0.461 175.011 174.600 -0.082 0.000 0.970 124 S CA 0.122 58.346 58.200 0.039 0.000 1.238 124 S CB -0.401 62.974 63.200 0.292 0.000 1.170 124 S HN 0.682 nan 8.310 nan 0.000 0.663 125 S N 1.205 116.817 115.700 -0.146 0.000 2.603 125 S HA 0.491 4.960 4.470 -0.000 0.000 0.220 125 S C 0.868 175.247 174.600 -0.369 0.000 0.967 125 S CA 0.308 58.332 58.200 -0.293 0.000 0.920 125 S CB 0.298 63.319 63.200 -0.297 0.000 0.773 125 S HN 0.663 nan 8.310 nan 0.000 0.529 126 G N 0.950 109.580 108.800 -0.283 0.000 2.351 126 G HA2 0.374 4.334 3.960 -0.000 0.000 0.296 126 G HA3 0.374 4.334 3.960 -0.000 0.000 0.296 126 G C -0.635 174.071 174.900 -0.324 0.000 1.685 126 G CA -0.893 43.980 45.100 -0.378 0.000 0.936 126 G HN 0.358 nan 8.290 nan 0.000 0.714 127 F N 0.689 120.535 119.950 -0.174 0.000 2.390 127 F HA 0.650 5.177 4.527 -0.000 0.000 0.307 127 F C 1.397 177.227 175.800 0.051 0.000 1.227 127 F CA -0.225 57.708 58.000 -0.112 0.000 1.179 127 F CB 0.513 39.386 39.000 -0.211 0.000 1.280 127 F HN 1.876 nan 8.300 nan 0.000 0.548 128 G N -0.473 108.541 108.800 0.356 0.000 2.182 128 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.248 128 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.248 128 G C -2.545 172.418 174.900 0.106 0.000 1.042 128 G CA -0.442 44.824 45.100 0.277 0.000 0.775 128 G HN 0.718 nan 8.290 nan 0.000 0.501 129 P HA 0.424 nan 4.420 nan 0.000 0.268 129 P C -0.149 177.178 177.300 0.046 0.000 1.204 129 P CA 0.471 63.588 63.100 0.028 0.000 0.768 129 P CB 1.816 33.521 31.700 0.009 0.000 0.842 130 S N 2.828 118.488 115.700 -0.066 0.000 2.677 130 S HA 0.412 4.881 4.470 -0.000 0.000 0.283 130 S C -1.174 173.304 174.600 -0.204 0.000 1.159 130 S CA -0.719 57.306 58.200 -0.292 0.000 1.001 130 S CB 0.319 63.325 63.200 -0.323 0.000 1.032 130 S HN 0.308 nan 8.310 nan 0.000 0.487 131 L N 6.333 127.510 121.223 -0.077 0.000 2.260 131 L HA 0.670 5.010 4.340 -0.000 0.000 0.289 131 L C -0.887 175.929 176.870 -0.090 0.000 1.057 131 L CA -0.233 54.568 54.840 -0.065 0.000 0.811 131 L CB 0.379 42.381 42.059 -0.095 0.000 1.184 131 L HN 0.661 nan 8.230 nan 0.000 0.429 132 F N 5.138 124.920 119.950 -0.279 0.000 2.422 132 F HA 0.514 5.040 4.527 -0.000 0.000 0.333 132 F C -0.490 175.111 175.800 -0.332 0.000 1.095 132 F CA -0.358 57.535 58.000 -0.179 0.000 1.038 132 F CB 0.844 39.831 39.000 -0.021 0.000 1.156 132 F HN 0.514 nan 8.300 nan 0.000 0.483 133 H N 4.236 122.824 119.070 -0.804 0.000 2.792 133 H HA 0.173 4.729 4.556 -0.000 0.000 0.298 133 H C -0.845 173.948 175.328 -0.892 0.000 1.042 133 H CA -0.797 54.843 56.048 -0.680 0.000 1.300 133 H CB 0.933 30.480 29.762 -0.357 0.000 1.431 133 H HN 0.571 nan 8.280 nan 0.000 0.496 134 D N 2.025 122.017 120.400 -0.680 0.000 2.399 134 D HA -0.038 4.602 4.640 -0.000 0.000 0.241 134 D C 1.273 177.554 176.300 -0.033 0.000 1.133 134 D CA 0.019 53.880 54.000 -0.232 0.000 0.890 134 D CB 1.173 42.136 40.800 0.271 0.000 1.201 134 D HN 0.478 nan 8.370 nan 0.000 0.432 135 E N 1.318 121.560 120.200 0.070 0.000 2.171 135 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 135 E C 0.635 177.268 176.600 0.056 0.000 0.997 135 E CA 1.159 57.598 56.400 0.065 0.000 0.810 135 E CB -0.120 29.627 29.700 0.078 0.000 0.738 135 E HN 0.559 nan 8.360 nan 0.000 0.467 136 D N -0.746 119.702 120.400 0.080 0.000 2.413 136 D HA 0.155 4.794 4.640 -0.000 0.000 0.237 136 D C 1.035 177.355 176.300 0.034 0.000 1.171 136 D CA 0.480 54.520 54.000 0.066 0.000 0.839 136 D CB -0.193 40.666 40.800 0.098 0.000 0.950 136 D HN 0.128 nan 8.370 nan 0.000 0.499 137 G N 0.363 109.168 108.800 0.008 0.000 2.212 137 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.267 137 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.267 137 G C 0.250 175.116 174.900 -0.056 0.000 1.002 137 G CA 0.088 45.175 45.100 -0.021 0.000 0.729 137 G HN 0.462 nan 8.290 nan 0.000 0.517 138 R N -0.302 120.154 120.500 -0.073 0.000 2.573 138 R HA 0.609 4.949 4.340 -0.000 0.000 0.272 138 R C -0.043 176.047 176.300 -0.350 0.000 1.009 138 R CA -0.505 55.472 56.100 -0.204 0.000 1.059 138 R CB 1.078 31.248 30.300 -0.218 0.000 1.112 138 R HN 0.236 nan 8.270 nan 0.000 0.517 139 K N 2.139 122.242 120.400 -0.496 0.000 2.397 139 K HA 0.383 4.703 4.320 -0.000 0.000 0.253 139 K C -1.357 174.936 176.600 -0.512 0.000 0.932 139 K CA -0.589 55.425 56.287 -0.456 0.000 0.795 139 K CB 1.859 34.167 32.500 -0.320 0.000 1.159 139 K HN 0.438 nan 8.250 nan 0.000 0.424 140 Y N 1.249 121.544 120.300 -0.009 0.000 2.446 140 Y HA 0.405 4.955 4.550 -0.000 0.000 0.345 140 Y C -0.454 175.455 175.900 0.015 0.000 0.984 140 Y CA -1.299 56.835 58.100 0.056 0.000 1.058 140 Y CB 1.419 39.939 38.460 0.100 0.000 1.220 140 Y HN 0.358 nan 8.280 nan 0.000 0.455 141 L N 4.621 125.932 121.223 0.146 0.000 2.276 141 L HA 0.632 4.972 4.340 -0.000 0.000 0.286 141 L C -0.540 176.348 176.870 0.030 0.000 1.061 141 L CA -0.580 54.288 54.840 0.047 0.000 0.807 141 L CB 0.806 42.869 42.059 0.006 0.000 1.177 141 L HN 0.523 nan 8.230 nan 0.000 0.429 142 V N 3.702 123.602 119.914 -0.023 0.000 2.483 142 V HA 0.741 4.861 4.120 -0.000 0.000 0.295 142 V C -0.466 175.593 176.094 -0.058 0.000 1.035 142 V CA -0.601 61.666 62.300 -0.056 0.000 0.896 142 V CB 1.330 33.083 31.823 -0.116 0.000 0.986 142 V HN 0.928 nan 8.190 nan 0.000 0.447 143 N N 3.417 122.096 118.700 -0.035 0.000 3.157 143 N HA 0.580 5.319 4.740 -0.000 0.000 0.291 143 N C -0.727 174.764 175.510 -0.032 0.000 1.515 143 N CA -0.962 52.059 53.050 -0.049 0.000 0.807 143 N CB 1.971 40.417 38.487 -0.069 0.000 1.672 143 N HN 0.815 nan 8.380 nan 0.000 0.592 144 M N -0.973 118.568 119.600 -0.098 0.000 2.288 144 M HA 0.451 4.931 4.480 -0.000 0.000 0.334 144 M C -1.116 175.136 176.300 -0.079 0.000 1.150 144 M CA -0.292 54.957 55.300 -0.085 0.000 1.118 144 M CB 0.407 32.892 32.600 -0.193 0.000 1.501 144 M HN 0.506 nan 8.290 nan 0.000 0.462 145 Y N 2.984 123.242 120.300 -0.069 0.000 2.328 145 Y HA 0.395 4.945 4.550 -0.000 0.000 0.337 145 Y C -1.374 174.491 175.900 -0.058 0.000 1.008 145 Y CA -0.286 57.791 58.100 -0.039 0.000 1.129 145 Y CB 0.884 39.368 38.460 0.041 0.000 1.185 145 Y HN 0.804 nan 8.280 nan 0.000 0.476 146 W N 8.115 129.075 121.300 -0.567 0.000 2.335 146 W HA 0.243 4.903 4.660 -0.000 0.000 0.307 146 W C -1.211 175.154 176.519 -0.256 0.000 1.117 146 W CA -0.573 56.527 57.345 -0.409 0.000 1.228 146 W CB 1.331 30.558 29.460 -0.388 0.000 1.240 146 W HN 0.549 nan 8.180 nan 0.000 0.468 147 D N 5.233 125.162 120.400 -0.784 0.000 2.460 147 D HA 0.005 4.645 4.640 -0.000 0.000 0.232 147 D C 1.348 177.199 176.300 -0.749 0.000 1.079 147 D CA -0.174 53.493 54.000 -0.554 0.000 0.864 147 D CB 0.538 41.127 40.800 -0.352 0.000 1.048 147 D HN 0.544 nan 8.370 nan 0.000 0.523 148 H N 2.486 121.254 119.070 -0.503 0.000 2.556 148 H HA 0.136 4.692 4.556 -0.000 0.000 0.268 148 H C -0.072 175.004 175.328 -0.420 0.000 0.996 148 H CA -0.003 55.742 56.048 -0.505 0.000 1.157 148 H CB 0.035 29.445 29.762 -0.588 0.000 1.355 148 H HN 0.130 nan 8.280 nan 0.000 0.597 149 R N 0.594 120.644 120.500 -0.749 0.000 2.490 149 R HA 0.122 4.462 4.340 -0.000 0.000 0.280 149 R C 1.458 177.651 176.300 -0.179 0.000 1.077 149 R CA -0.007 55.817 56.100 -0.460 0.000 1.065 149 R CB 1.232 31.371 30.300 -0.269 0.000 1.003 149 R HN -0.092 nan 8.270 nan 0.000 0.470 150 V N 1.391 121.237 119.914 -0.113 0.000 2.220 150 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 150 V C 0.898 176.959 176.094 -0.055 0.000 1.056 150 V CA 2.027 64.287 62.300 -0.067 0.000 1.016 150 V CB -0.270 31.534 31.823 -0.032 0.000 0.639 150 V HN 0.757 nan 8.190 nan 0.000 0.446 151 D N -1.153 119.204 120.400 -0.071 0.000 2.400 151 D HA 0.146 4.786 4.640 -0.000 0.000 0.243 151 D C 0.106 176.255 176.300 -0.252 0.000 1.184 151 D CA 0.328 54.239 54.000 -0.147 0.000 0.853 151 D CB -0.461 40.236 40.800 -0.171 0.000 0.944 151 D HN 0.622 nan 8.370 nan 0.000 0.501 152 H N -1.281 117.748 119.070 -0.069 0.000 2.667 152 H HA 0.174 4.730 4.556 -0.000 0.000 0.353 152 H C -0.533 174.771 175.328 -0.040 0.000 1.072 152 H CA -0.906 55.109 56.048 -0.055 0.000 1.214 152 H CB 1.125 30.827 29.762 -0.101 0.000 1.600 152 H HN -0.047 nan 8.280 nan 0.000 0.527 153 H N 5.074 124.181 119.070 0.061 0.000 2.975 153 H HA 0.056 4.612 4.556 -0.000 0.000 0.303 153 H C -1.797 173.515 175.328 -0.027 0.000 1.023 153 H CA -1.857 54.204 56.048 0.022 0.000 1.473 153 H CB 1.043 30.822 29.762 0.029 0.000 1.498 153 H HN 0.493 nan 8.280 nan 0.000 0.549 154 P HA -0.059 nan 4.420 nan 0.000 0.229 154 P C -0.384 176.410 177.300 -0.843 0.000 1.160 154 P CA 0.883 63.441 63.100 -0.904 0.000 0.777 154 P CB 0.137 31.042 31.700 -1.325 0.000 0.814 155 F N -0.967 118.520 119.950 -0.772 0.000 2.499 155 F HA 0.185 4.711 4.527 -0.000 0.000 0.353 155 F C 1.485 177.253 175.800 -0.054 0.000 1.196 155 F CA -0.688 57.135 58.000 -0.294 0.000 1.244 155 F CB -0.322 38.592 39.000 -0.143 0.000 1.577 155 F HN -0.130 nan 8.300 nan 0.000 0.614 156 Y N 1.874 122.136 120.300 -0.064 0.000 2.497 156 Y HA 0.197 4.747 4.550 -0.000 0.000 0.292 156 Y C 1.397 177.319 175.900 0.036 0.000 1.137 156 Y CA 1.013 59.117 58.100 0.006 0.000 1.285 156 Y CB -0.166 38.322 38.460 0.047 0.000 0.991 156 Y HN 0.559 nan 8.280 nan 0.000 0.556 157 G N -0.237 108.676 108.800 0.187 0.000 2.318 157 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.367 157 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.367 157 G C -1.601 173.401 174.900 0.170 0.000 1.260 157 G CA -0.534 44.629 45.100 0.105 0.000 1.055 157 G HN -0.041 nan 8.290 nan 0.000 0.484 158 I N 1.004 121.662 120.570 0.146 0.000 2.321 158 I HA 0.511 4.681 4.170 -0.000 0.000 0.291 158 I C 0.844 177.024 176.117 0.105 0.000 0.998 158 I CA -0.837 60.536 61.300 0.122 0.000 1.227 158 I CB 0.603 38.661 38.000 0.097 0.000 1.368 158 I HN 0.490 nan 8.210 nan 0.000 0.466 159 V N 8.126 128.114 119.914 0.123 0.000 2.607 159 V HA 0.457 4.577 4.120 -0.000 0.000 0.289 159 V C -0.472 175.649 176.094 0.045 0.000 1.053 159 V CA -0.475 61.887 62.300 0.104 0.000 0.996 159 V CB 2.046 34.003 31.823 0.224 0.000 0.995 159 V HN 0.602 nan 8.190 nan 0.000 0.476 160 L N 5.820 127.057 121.223 0.023 0.000 2.362 160 L HA 0.734 5.074 4.340 -0.000 0.000 0.271 160 L C -0.743 176.168 176.870 0.067 0.000 1.002 160 L CA 0.124 54.953 54.840 -0.018 0.000 0.818 160 L CB 1.867 43.811 42.059 -0.191 0.000 1.298 160 L HN 0.823 nan 8.230 nan 0.000 0.420 161 Q N 2.422 122.290 119.800 0.112 0.000 2.386 161 Q HA 0.285 4.624 4.340 -0.000 0.000 0.274 161 Q C -1.614 174.529 176.000 0.238 0.000 1.011 161 Q CA -0.615 55.297 55.803 0.181 0.000 0.867 161 Q CB 1.724 30.542 28.738 0.132 0.000 1.409 161 Q HN 0.759 nan 8.270 nan 0.000 0.395 162 E N 2.090 122.447 120.200 0.261 0.000 2.383 162 E HA 0.090 4.440 4.350 -0.000 0.000 0.264 162 E C -1.622 175.022 176.600 0.072 0.000 1.050 162 E CA -0.137 56.327 56.400 0.106 0.000 0.896 162 E CB 0.665 30.372 29.700 0.011 0.000 0.982 162 E HN 0.524 nan 8.360 nan 0.000 0.424 163 Y N 2.620 122.848 120.300 -0.120 0.000 2.364 163 Y HA 0.284 4.834 4.550 -0.000 0.000 0.340 163 Y C -0.778 175.060 175.900 -0.104 0.000 0.975 163 Y CA -0.727 57.320 58.100 -0.087 0.000 1.089 163 Y CB 1.735 40.144 38.460 -0.086 0.000 1.192 163 Y HN 0.370 nan 8.280 nan 0.000 0.454 164 S N 5.119 120.356 115.700 -0.772 0.000 2.429 164 S HA 0.329 4.799 4.470 -0.000 0.000 0.302 164 S C 0.457 174.637 174.600 -0.699 0.000 1.115 164 S CA -0.615 57.257 58.200 -0.548 0.000 1.095 164 S CB 0.746 63.761 63.200 -0.309 0.000 0.987 164 S HN 0.696 nan 8.310 nan 0.000 0.474 165 V N 4.942 124.667 119.914 -0.314 0.000 2.427 165 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 165 V C 2.510 178.593 176.094 -0.019 0.000 1.051 165 V CA 2.180 64.460 62.300 -0.033 0.000 1.048 165 V CB -0.933 30.977 31.823 0.144 0.000 0.666 165 V HN 0.918 nan 8.190 nan 0.000 0.456 166 E N 0.525 120.691 120.200 -0.058 0.000 2.047 166 E HA -0.218 4.131 4.350 -0.000 0.000 0.191 166 E C 2.228 178.802 176.600 -0.043 0.000 0.987 166 E CA 1.438 57.820 56.400 -0.030 0.000 0.799 166 E CB -0.214 29.468 29.700 -0.031 0.000 0.752 166 E HN 0.649 nan 8.360 nan 0.000 0.449 167 Q N 0.017 119.760 119.800 -0.095 0.000 2.435 167 Q HA 0.027 4.367 4.340 -0.000 0.000 0.207 167 Q C -0.260 175.703 176.000 -0.061 0.000 0.956 167 Q CA 0.463 56.221 55.803 -0.076 0.000 0.917 167 Q CB 0.135 28.820 28.738 -0.088 0.000 0.997 167 Q HN 0.136 nan 8.270 nan 0.000 0.497 168 K N 1.259 121.600 120.400 -0.099 0.000 3.393 168 K HA -0.217 4.103 4.320 -0.000 0.000 0.272 168 K C -0.935 175.712 176.600 0.080 0.000 1.004 168 K CA 0.887 57.200 56.287 0.043 0.000 0.764 168 K CB -1.488 31.088 32.500 0.127 0.000 1.373 168 K HN 0.380 nan 8.250 nan 0.000 0.458 169 K N -1.572 118.748 120.400 -0.133 0.000 2.931 169 K HA 0.305 4.624 4.320 -0.000 0.000 0.292 169 K C -1.181 175.374 176.600 -0.075 0.000 1.077 169 K CA -1.197 55.111 56.287 0.035 0.000 0.829 169 K CB 0.686 33.212 32.500 0.043 0.000 1.488 169 K HN -0.017 nan 8.250 nan 0.000 0.358 170 L N 1.829 123.110 121.223 0.097 0.000 2.397 170 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 170 L C 0.185 177.068 176.870 0.023 0.000 1.148 170 L CA -0.638 54.252 54.840 0.082 0.000 0.825 170 L CB 1.263 43.382 42.059 0.099 0.000 1.117 170 L HN 0.553 nan 8.230 nan 0.000 0.456 171 V N -0.351 119.573 119.914 0.017 0.000 3.141 171 V HA 1.020 5.140 4.120 -0.000 0.000 0.312 171 V C 0.343 176.465 176.094 0.047 0.000 1.157 171 V CA 0.043 62.350 62.300 0.011 0.000 1.041 171 V CB 1.037 32.842 31.823 -0.030 0.000 1.071 171 V HN 1.005 nan 8.190 nan 0.000 0.441 172 G N 1.049 109.873 108.800 0.040 0.000 2.552 172 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 172 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 172 G C -0.227 174.710 174.900 0.061 0.000 1.234 172 G CA 0.669 45.801 45.100 0.054 0.000 0.944 172 G HN 1.342 nan 8.290 nan 0.000 0.568 173 E N 1.580 121.824 120.200 0.073 0.000 2.183 173 E HA 0.513 4.863 4.350 -0.000 0.000 0.271 173 E C -2.188 174.476 176.600 0.106 0.000 0.919 173 E CA -1.983 54.459 56.400 0.069 0.000 0.781 173 E CB 1.878 31.602 29.700 0.041 0.000 1.140 173 E HN 0.353 nan 8.360 nan 0.000 0.402 174 P HA 0.152 nan 4.420 nan 0.000 0.271 174 P C -1.130 176.219 177.300 0.081 0.000 1.216 174 P CA -0.116 63.043 63.100 0.099 0.000 0.776 174 P CB 0.740 32.493 31.700 0.090 0.000 0.881 175 K N 2.700 123.167 120.400 0.111 0.000 2.501 175 K HA 0.404 4.724 4.320 -0.000 0.000 0.252 175 K C -0.280 176.372 176.600 0.085 0.000 0.934 175 K CA -0.841 55.513 56.287 0.112 0.000 0.797 175 K CB 2.206 34.847 32.500 0.235 0.000 1.270 175 K HN 0.382 nan 8.250 nan 0.000 0.431 176 I N 5.210 125.808 120.570 0.047 0.000 2.517 176 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 176 I C 1.781 177.963 176.117 0.108 0.000 1.106 176 I CA 0.292 61.626 61.300 0.057 0.000 1.402 176 I CB 0.041 38.062 38.000 0.036 0.000 1.399 176 I HN 0.660 nan 8.210 nan 0.000 0.535 177 I N 3.239 123.885 120.570 0.127 0.000 3.645 177 I HA 0.282 4.451 4.170 -0.000 0.000 0.300 177 I C -0.040 176.280 176.117 0.339 0.000 1.260 177 I CA 0.500 61.928 61.300 0.213 0.000 1.365 177 I CB 0.496 38.605 38.000 0.180 0.000 1.077 177 I HN 0.290 nan 8.210 nan 0.000 0.439 178 F N 1.479 121.440 119.950 0.018 0.000 2.615 178 F HA 0.462 4.989 4.527 -0.000 0.000 0.312 178 F C 0.150 175.936 175.800 -0.022 0.000 1.119 178 F CA -1.056 56.939 58.000 -0.008 0.000 0.979 178 F CB 1.683 40.613 39.000 -0.116 0.000 1.266 178 F HN -0.298 nan 8.300 nan 0.000 0.444 179 K N 2.772 122.810 120.400 -0.604 0.000 2.313 179 K HA 0.540 4.860 4.320 -0.000 0.000 0.197 179 K C 0.644 176.862 176.600 -0.638 0.000 1.061 179 K CA 0.825 56.813 56.287 -0.499 0.000 0.980 179 K CB 0.131 32.411 32.500 -0.366 0.000 0.888 179 K HN 0.966 nan 8.250 nan 0.000 0.502 180 G N 0.819 108.857 108.800 -1.270 0.000 2.423 180 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.684 180 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.684 180 G C -0.103 174.526 174.900 -0.452 0.000 1.309 180 G CA -0.344 44.281 45.100 -0.791 0.000 0.950 180 G HN 0.178 nan 8.290 nan 0.000 0.587 181 T N -2.917 111.531 114.554 -0.177 0.000 2.902 181 T HA 0.551 4.901 4.350 -0.000 0.000 0.287 181 T C 1.448 176.065 174.700 -0.138 0.000 1.048 181 T CA 0.996 63.028 62.100 -0.113 0.000 0.941 181 T CB 1.118 69.960 68.868 -0.043 0.000 1.432 181 T HN 1.116 nan 8.240 nan 0.000 0.586 182 D N -0.075 120.248 120.400 -0.129 0.000 2.350 182 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 182 D C 1.760 177.955 176.300 -0.176 0.000 0.968 182 D CA 0.346 54.256 54.000 -0.150 0.000 0.894 182 D CB -0.601 40.118 40.800 -0.135 0.000 0.909 182 D HN 0.275 nan 8.370 nan 0.000 0.520 183 L N 0.228 121.353 121.223 -0.162 0.000 2.141 183 L HA -0.012 4.327 4.340 -0.000 0.000 0.209 183 L C 1.385 178.153 176.870 -0.170 0.000 1.094 183 L CA 0.765 55.501 54.840 -0.174 0.000 0.763 183 L CB -0.665 41.309 42.059 -0.142 0.000 0.908 183 L HN 0.045 nan 8.230 nan 0.000 0.437 184 R N -1.244 119.168 120.500 -0.147 0.000 3.840 184 R HA -0.280 4.059 4.340 -0.000 0.000 0.475 184 R C 0.947 177.225 176.300 -0.036 0.000 0.241 184 R CA 1.065 57.103 56.100 -0.103 0.000 1.492 184 R CB -1.728 28.365 30.300 -0.345 0.000 1.021 184 R HN 0.226 nan 8.270 nan 0.000 0.556 185 I N -0.254 120.359 120.570 0.072 0.000 6.572 185 I HA -0.265 3.905 4.170 -0.000 0.000 0.126 185 I C 0.121 176.097 176.117 -0.234 0.000 1.771 185 I CA 1.317 62.283 61.300 -0.557 0.000 2.241 185 I CB -1.884 35.761 38.000 -0.591 0.000 3.401 185 I HN 0.456 nan 8.210 nan 0.000 0.227 186 T N 2.630 117.278 114.554 0.156 0.000 2.799 186 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 186 T C 0.413 175.354 174.700 0.402 0.000 0.947 186 T CA 0.073 62.315 62.100 0.238 0.000 1.141 186 T CB 0.889 69.865 68.868 0.180 0.000 0.891 186 T HN 0.725 nan 8.240 nan 0.000 0.533 187 E N 1.186 121.560 120.200 0.290 0.000 2.394 187 E HA 0.557 4.907 4.350 -0.000 0.000 0.266 187 E C 0.169 176.822 176.600 0.087 0.000 1.065 187 E CA -1.304 55.275 56.400 0.298 0.000 0.885 187 E CB 0.245 30.300 29.700 0.592 0.000 1.659 187 E HN 0.594 nan 8.360 nan 0.000 0.462 188 G N 1.694 110.525 108.800 0.052 0.000 2.412 188 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.297 188 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.297 188 G C -2.230 172.397 174.900 -0.456 0.000 0.965 188 G CA 0.272 45.202 45.100 -0.283 0.000 1.134 188 G HN 0.407 nan 8.290 nan 0.000 0.511 189 P HA 0.264 nan 4.420 nan 0.000 0.276 189 P C -0.370 176.616 177.300 -0.523 0.000 1.230 189 P CA 0.222 63.125 63.100 -0.329 0.000 0.776 189 P CB 0.997 32.587 31.700 -0.184 0.000 0.888 190 H N 2.035 121.049 119.070 -0.095 0.000 2.679 190 H HA 0.432 4.988 4.556 -0.000 0.000 0.360 190 H C -0.217 174.916 175.328 -0.325 0.000 1.105 190 H CA -0.707 55.235 56.048 -0.178 0.000 1.196 190 H CB 1.658 31.428 29.762 0.013 0.000 1.636 190 H HN 0.327 nan 8.280 nan 0.000 0.531 191 L N 3.315 124.304 121.223 -0.391 0.000 2.317 191 L HA 0.389 4.729 4.340 -0.000 0.000 0.281 191 L C -1.006 175.471 176.870 -0.656 0.000 1.024 191 L CA -0.649 53.853 54.840 -0.564 0.000 0.810 191 L CB 0.778 42.263 42.059 -0.958 0.000 1.240 191 L HN 0.493 nan 8.230 nan 0.000 0.427 192 Y N 1.684 122.058 120.300 0.124 0.000 2.512 192 Y HA 0.461 5.011 4.550 -0.000 0.000 0.348 192 Y C -0.424 175.689 175.900 0.355 0.000 0.990 192 Y CA -1.110 57.209 58.100 0.365 0.000 1.033 192 Y CB 1.905 40.602 38.460 0.396 0.000 1.259 192 Y HN 0.306 nan 8.280 nan 0.000 0.461 193 K N 3.073 123.790 120.400 0.528 0.000 2.339 193 K HA 0.768 5.087 4.320 -0.000 0.000 0.264 193 K C -1.897 174.859 176.600 0.259 0.000 0.986 193 K CA -0.049 56.379 56.287 0.235 0.000 0.866 193 K CB 0.363 32.943 32.500 0.134 0.000 1.103 193 K HN 0.662 nan 8.250 nan 0.000 0.441 194 I N 4.443 125.168 120.570 0.258 0.000 2.692 194 I HA 0.312 4.482 4.170 -0.000 0.000 0.293 194 I C -0.122 176.068 176.117 0.122 0.000 1.200 194 I CA -0.926 60.465 61.300 0.152 0.000 1.036 194 I CB 2.057 40.049 38.000 -0.013 0.000 1.258 194 I HN 0.956 nan 8.210 nan 0.000 0.421 195 N N 3.451 122.132 118.700 -0.032 0.000 1.133 195 N HA -0.298 4.442 4.740 -0.000 0.000 0.111 195 N C 1.250 176.691 175.510 -0.114 0.000 0.713 195 N CA 1.604 54.617 53.050 -0.062 0.000 0.831 195 N CB -1.305 37.137 38.487 -0.075 0.000 1.095 195 N HN 0.840 nan 8.380 nan 0.000 0.648 196 G N -2.778 105.862 108.800 -0.266 0.000 2.509 196 G HA2 0.057 4.017 3.960 -0.000 0.000 0.218 196 G HA3 0.057 4.017 3.960 -0.000 0.000 0.218 196 G C -0.301 174.230 174.900 -0.615 0.000 1.124 196 G CA 1.003 45.771 45.100 -0.553 0.000 0.776 196 G HN 0.529 nan 8.290 nan 0.000 0.547 197 Y N -1.762 118.448 120.300 -0.150 0.000 2.509 197 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 197 Y C -0.538 175.220 175.900 -0.237 0.000 1.038 197 Y CA -1.725 56.215 58.100 -0.268 0.000 1.089 197 Y CB 1.140 39.224 38.460 -0.627 0.000 1.241 197 Y HN -0.020 nan 8.280 nan 0.000 0.468 198 Y N 0.895 121.192 120.300 -0.006 0.000 2.304 198 Y HA 0.305 4.855 4.550 -0.000 0.000 0.328 198 Y C -0.865 175.006 175.900 -0.049 0.000 1.123 198 Y CA -0.437 57.696 58.100 0.054 0.000 1.218 198 Y CB 0.461 38.934 38.460 0.021 0.000 1.207 198 Y HN 0.435 nan 8.280 nan 0.000 0.495 199 Y N 3.416 123.913 120.300 0.328 0.000 2.331 199 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 199 Y C -0.658 175.341 175.900 0.165 0.000 0.992 199 Y CA -0.995 57.263 58.100 0.264 0.000 1.121 199 Y CB 1.395 40.026 38.460 0.286 0.000 1.184 199 Y HN 0.428 nan 8.280 nan 0.000 0.469 200 L N 5.616 126.864 121.223 0.041 0.000 2.294 200 L HA 0.541 4.880 4.340 -0.000 0.000 0.283 200 L C -1.492 175.294 176.870 -0.140 0.000 1.015 200 L CA -0.683 54.011 54.840 -0.243 0.000 0.831 200 L CB 0.697 42.238 42.059 -0.863 0.000 1.217 200 L HN 0.618 nan 8.230 nan 0.000 0.420 201 L N 5.545 126.802 121.223 0.056 0.000 2.292 201 L HA 0.782 5.122 4.340 -0.000 0.000 0.284 201 L C 0.019 176.874 176.870 -0.025 0.000 1.065 201 L CA 0.478 55.372 54.840 0.090 0.000 0.806 201 L CB 1.421 43.674 42.059 0.323 0.000 1.175 201 L HN 0.863 nan 8.230 nan 0.000 0.431 202 T N 2.000 116.528 114.554 -0.044 0.000 2.883 202 T HA 0.876 5.226 4.350 -0.000 0.000 0.296 202 T C -0.537 174.132 174.700 -0.052 0.000 1.117 202 T CA -0.537 61.529 62.100 -0.057 0.000 1.006 202 T CB 1.372 70.260 68.868 0.033 0.000 1.191 202 T HN 0.838 nan 8.240 nan 0.000 0.508 203 A N 1.062 123.837 122.820 -0.075 0.000 2.301 203 A HA 0.709 5.028 4.320 -0.000 0.000 0.298 203 A C -0.000 177.621 177.584 0.062 0.000 1.185 203 A CA -0.620 51.397 52.037 -0.034 0.000 0.830 203 A CB 0.218 19.247 19.000 0.049 0.000 1.112 203 A HN 0.845 nan 8.150 nan 0.000 0.508 204 E N 0.327 120.548 120.200 0.035 0.000 2.378 204 E HA 0.606 4.956 4.350 -0.000 0.000 0.265 204 E C 0.629 177.265 176.600 0.061 0.000 0.932 204 E CA -0.452 55.973 56.400 0.041 0.000 0.795 204 E CB 1.764 31.467 29.700 0.006 0.000 1.296 204 E HN 1.295 nan 8.360 nan 0.000 0.438 205 G N 0.234 109.026 108.800 -0.013 0.000 2.225 205 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.254 205 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.254 205 G C 0.571 175.473 174.900 0.004 0.000 0.988 205 G CA 0.151 45.233 45.100 -0.030 0.000 0.625 205 G HN 1.297 nan 8.290 nan 0.000 0.527 206 G N -2.006 106.820 108.800 0.044 0.000 2.733 206 G HA2 0.232 4.192 3.960 -0.000 0.000 0.686 206 G HA3 0.232 4.192 3.960 -0.000 0.000 0.686 206 G C 0.347 175.162 174.900 -0.142 0.000 1.373 206 G CA 0.730 45.824 45.100 -0.011 0.000 0.838 206 G HN 1.567 nan 8.290 nan 0.000 0.588 207 T N 0.817 115.169 114.554 -0.337 0.000 3.317 207 T HA 0.208 4.557 4.350 -0.000 0.000 0.250 207 T C 1.593 176.067 174.700 -0.377 0.000 1.106 207 T CA 1.646 63.294 62.100 -0.754 0.000 0.986 207 T CB -0.421 68.170 68.868 -0.461 0.000 1.010 207 T HN 0.594 nan 8.240 nan 0.000 0.560 208 R N -0.868 119.499 120.500 -0.221 0.000 2.424 208 R HA 0.341 4.680 4.340 -0.000 0.000 0.166 208 R C 0.813 176.963 176.300 -0.249 0.000 1.347 208 R CA -0.546 55.388 56.100 -0.277 0.000 1.274 208 R CB -0.167 30.050 30.300 -0.138 0.000 1.949 208 R HN 0.156 nan 8.270 nan 0.000 0.537 209 Y N 0.753 121.096 120.300 0.072 0.000 2.561 209 Y HA 0.046 4.596 4.550 -0.000 0.000 0.291 209 Y C 1.156 177.214 175.900 0.264 0.000 1.141 209 Y CA 0.881 59.066 58.100 0.142 0.000 1.303 209 Y CB -0.362 38.149 38.460 0.084 0.000 1.015 209 Y HN 0.451 nan 8.280 nan 0.000 0.547 210 N N -1.700 117.156 118.700 0.260 0.000 2.280 210 N HA -0.039 4.701 4.740 -0.000 0.000 0.192 210 N C 0.064 175.650 175.510 0.126 0.000 1.109 210 N CA -0.122 52.999 53.050 0.119 0.000 0.855 210 N CB -0.016 38.417 38.487 -0.090 0.000 0.974 210 N HN 0.356 nan 8.380 nan 0.000 0.482 211 H N 1.053 120.158 119.070 0.058 0.000 3.115 211 H HA 0.134 4.689 4.556 -0.000 0.000 0.324 211 H C -0.354 175.008 175.328 0.056 0.000 1.007 211 H CA -0.099 55.979 56.048 0.051 0.000 1.385 211 H CB 0.502 30.305 29.762 0.069 0.000 1.351 211 H HN 0.197 nan 8.280 nan 0.000 0.592 212 A N 3.056 125.834 122.820 -0.070 0.000 2.556 212 A HA 0.661 4.981 4.320 -0.000 0.000 0.294 212 A C -1.273 176.181 177.584 -0.217 0.000 1.091 212 A CA -0.173 51.790 52.037 -0.124 0.000 0.704 212 A CB 1.501 20.461 19.000 -0.067 0.000 1.300 212 A HN 0.794 nan 8.150 nan 0.000 0.406 213 A N 0.693 123.414 122.820 -0.165 0.000 2.276 213 A HA 0.700 5.020 4.320 -0.000 0.000 0.316 213 A C -0.027 177.494 177.584 -0.105 0.000 1.229 213 A CA -0.212 51.751 52.037 -0.123 0.000 0.851 213 A CB 0.221 19.163 19.000 -0.096 0.000 1.165 213 A HN 0.772 nan 8.150 nan 0.000 0.513 214 T N 2.853 117.368 114.554 -0.065 0.000 2.797 214 T HA 0.573 4.922 4.350 -0.000 0.000 0.279 214 T C -0.582 174.097 174.700 -0.035 0.000 0.991 214 T CA -0.021 62.050 62.100 -0.048 0.000 0.979 214 T CB 0.711 69.595 68.868 0.027 0.000 0.943 214 T HN 0.576 nan 8.240 nan 0.000 0.444 215 I N 2.495 123.046 120.570 -0.032 0.000 2.608 215 I HA 0.802 4.972 4.170 -0.000 0.000 0.295 215 I C -0.963 175.220 176.117 0.111 0.000 1.049 215 I CA -0.636 60.696 61.300 0.054 0.000 1.063 215 I CB 1.333 39.419 38.000 0.144 0.000 1.248 215 I HN 0.749 nan 8.210 nan 0.000 0.424 216 A N 6.788 129.666 122.820 0.097 0.000 2.556 216 A HA 0.866 5.186 4.320 -0.000 0.000 0.294 216 A C -1.311 176.431 177.584 0.262 0.000 1.091 216 A CA -0.779 51.376 52.037 0.196 0.000 0.704 216 A CB 1.744 20.658 19.000 -0.144 0.000 1.300 216 A HN 0.774 nan 8.150 nan 0.000 0.406 217 R N 0.015 120.669 120.500 0.257 0.000 2.750 217 R HA 0.872 5.212 4.340 -0.000 0.000 0.281 217 R C -0.853 175.419 176.300 -0.047 0.000 0.972 217 R CA -0.339 55.675 56.100 -0.143 0.000 0.912 217 R CB 1.954 31.616 30.300 -1.063 0.000 1.187 217 R HN 0.730 nan 8.270 nan 0.000 0.464 218 S N -0.420 115.192 115.700 -0.148 0.000 2.588 218 S HA 0.256 4.726 4.470 -0.000 0.000 0.275 218 S C 0.499 175.121 174.600 0.037 0.000 1.130 218 S CA -0.236 57.813 58.200 -0.252 0.000 0.855 218 S CB 1.875 64.528 63.200 -0.912 0.000 1.116 218 S HN 0.741 nan 8.310 nan 0.000 0.472 219 T N -0.433 114.146 114.554 0.040 0.000 3.081 219 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 219 T C 0.771 175.528 174.700 0.094 0.000 1.113 219 T CA 0.522 62.642 62.100 0.033 0.000 1.082 219 T CB -0.075 68.756 68.868 -0.061 0.000 0.939 219 T HN 0.444 nan 8.240 nan 0.000 0.506 220 S N 0.043 115.715 115.700 -0.047 0.000 2.501 220 S HA 0.508 4.978 4.470 -0.000 0.000 0.301 220 S C 0.720 175.070 174.600 -0.416 0.000 1.096 220 S CA -0.968 57.160 58.200 -0.122 0.000 1.063 220 S CB 1.493 64.635 63.200 -0.096 0.000 1.042 220 S HN 0.238 nan 8.310 nan 0.000 0.494 221 L N 4.841 125.653 121.223 -0.685 0.000 2.127 221 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 221 L C 0.985 177.503 176.870 -0.585 0.000 1.089 221 L CA 2.009 56.243 54.840 -1.010 0.000 0.757 221 L CB -0.476 40.948 42.059 -1.057 0.000 0.899 221 L HN 0.889 nan 8.230 nan 0.000 0.434 222 Y N -0.325 119.781 120.300 -0.324 0.000 2.466 222 Y HA 0.443 4.993 4.550 -0.000 0.000 0.272 222 Y C 1.458 177.275 175.900 -0.138 0.000 1.169 222 Y CA 0.244 58.251 58.100 -0.156 0.000 1.285 222 Y CB -0.182 38.206 38.460 -0.120 0.000 1.078 222 Y HN 0.293 nan 8.280 nan 0.000 0.523 223 G N 0.587 109.215 108.800 -0.288 0.000 2.548 223 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.208 223 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.208 223 G C -2.748 172.033 174.900 -0.199 0.000 1.308 223 G CA -0.950 43.892 45.100 -0.429 0.000 0.924 223 G HN 0.024 nan 8.290 nan 0.000 0.540 224 P HA 0.565 nan 4.420 nan 0.000 0.278 224 P C -1.279 175.961 177.300 -0.101 0.000 1.266 224 P CA -0.365 62.721 63.100 -0.023 0.000 0.807 224 P CB 0.486 32.216 31.700 0.051 0.000 1.094 225 Y N -0.365 120.002 120.300 0.111 0.000 2.369 225 Y HA 0.201 4.751 4.550 -0.000 0.000 0.337 225 Y C 0.920 176.902 175.900 0.135 0.000 0.961 225 Y CA -0.510 57.633 58.100 0.071 0.000 1.186 225 Y CB 0.882 39.312 38.460 -0.051 0.000 1.139 225 Y HN 0.348 nan 8.280 nan 0.000 0.494 226 E N 1.842 122.182 120.200 0.233 0.000 2.316 226 E HA 0.380 4.729 4.350 -0.000 0.000 0.275 226 E C -0.827 175.961 176.600 0.313 0.000 1.029 226 E CA -0.673 55.871 56.400 0.240 0.000 0.871 226 E CB 1.005 30.826 29.700 0.201 0.000 1.022 226 E HN 0.234 nan 8.360 nan 0.000 0.418 227 V N 3.451 123.485 119.914 0.200 0.000 2.732 227 V HA -0.045 4.074 4.120 -0.000 0.000 0.297 227 V C 0.756 176.709 176.094 -0.235 0.000 1.060 227 V CA -0.578 61.773 62.300 0.085 0.000 1.038 227 V CB 0.801 32.685 31.823 0.101 0.000 1.003 227 V HN 0.753 nan 8.190 nan 0.000 0.481 228 H N 7.679 126.301 119.070 -0.746 0.000 3.193 228 H HA -0.042 4.514 4.556 -0.000 0.000 0.306 228 H C -1.486 173.335 175.328 -0.845 0.000 0.960 228 H CA -0.753 54.422 56.048 -1.455 0.000 1.375 228 H CB 1.216 30.419 29.762 -0.932 0.000 1.321 228 H HN 0.410 nan 8.280 nan 0.000 0.578 229 P HA -0.041 nan 4.420 nan 0.000 0.229 229 P C -0.085 177.175 177.300 -0.067 0.000 1.160 229 P CA 0.862 63.810 63.100 -0.254 0.000 0.777 229 P CB 0.657 32.209 31.700 -0.247 0.000 0.814 230 D N -0.839 119.600 120.400 0.065 0.000 2.623 230 D HA 0.085 4.725 4.640 -0.000 0.000 0.252 230 D C 0.224 176.332 176.300 -0.321 0.000 1.294 230 D CA -0.488 53.473 54.000 -0.065 0.000 0.824 230 D CB -0.704 40.137 40.800 0.069 0.000 1.070 230 D HN 0.031 nan 8.370 nan 0.000 0.487 231 N N 2.368 120.846 118.700 -0.371 0.000 2.237 231 N HA -0.017 4.723 4.740 -0.000 0.000 0.245 231 N C -2.251 173.126 175.510 -0.221 0.000 1.239 231 N CA -0.203 52.623 53.050 -0.373 0.000 0.842 231 N CB 0.462 38.813 38.487 -0.226 0.000 1.089 231 N HN -0.089 nan 8.380 nan 0.000 0.454 232 P HA -0.026 nan 4.420 nan 0.000 0.270 232 P C 0.729 177.821 177.300 -0.347 0.000 1.223 232 P CA -0.366 62.603 63.100 -0.218 0.000 0.785 232 P CB 0.506 32.133 31.700 -0.122 0.000 0.923 233 L N 2.247 123.251 121.223 -0.364 0.000 2.017 233 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 233 L C 0.484 177.210 176.870 -0.241 0.000 1.073 233 L CA 1.918 56.521 54.840 -0.394 0.000 0.745 233 L CB -0.499 41.392 42.059 -0.281 0.000 0.894 233 L HN 0.310 nan 8.230 nan 0.000 0.432 234 L N -1.135 119.985 121.223 -0.171 0.000 2.431 234 L HA 0.619 4.959 4.340 -0.000 0.000 0.266 234 L C -0.864 175.960 176.870 -0.077 0.000 0.978 234 L CA 0.159 54.920 54.840 -0.132 0.000 0.822 234 L CB 1.979 43.922 42.059 -0.193 0.000 1.310 234 L HN 0.028 nan 8.230 nan 0.000 0.409 235 T N 1.370 115.938 114.554 0.024 0.000 2.942 235 T HA 0.381 4.731 4.350 -0.000 0.000 0.327 235 T C 0.019 174.877 174.700 0.263 0.000 1.360 235 T CA -0.085 62.085 62.100 0.116 0.000 1.055 235 T CB 1.586 70.531 68.868 0.128 0.000 1.261 235 T HN 0.558 nan 8.240 nan 0.000 0.485 236 S N 1.636 117.500 115.700 0.274 0.000 2.535 236 S HA 0.098 4.568 4.470 -0.000 0.000 0.214 236 S C 1.212 175.970 174.600 0.263 0.000 0.980 236 S CA -0.309 58.101 58.200 0.351 0.000 0.907 236 S CB -0.168 63.196 63.200 0.274 0.000 0.790 236 S HN 0.772 nan 8.310 nan 0.000 0.510 237 W N 4.263 125.598 121.300 0.058 0.000 2.338 237 W HA -0.091 4.569 4.660 -0.000 0.000 0.304 237 W C -1.772 174.651 176.519 -0.160 0.000 1.212 237 W CA 1.405 58.741 57.345 -0.015 0.000 1.264 237 W CB -1.025 28.424 29.460 -0.019 0.000 1.142 237 W HN 0.187 nan 8.180 nan 0.000 0.512 238 P HA 0.010 nan 4.420 nan 0.000 0.255 238 P C -1.144 175.564 177.300 -0.988 0.000 1.301 238 P CA 0.874 63.369 63.100 -1.007 0.000 0.817 238 P CB -0.456 30.720 31.700 -0.875 0.000 1.259 239 Y N -0.066 120.122 120.300 -0.186 0.000 2.495 239 Y HA 0.284 4.834 4.550 -0.000 0.000 0.362 239 Y C -1.464 174.372 175.900 -0.106 0.000 0.956 239 Y CA -2.846 55.189 58.100 -0.110 0.000 1.127 239 Y CB 0.499 38.936 38.460 -0.038 0.000 1.173 239 Y HN 0.001 nan 8.280 nan 0.000 0.639 240 P HA -0.139 nan 4.420 nan 0.000 0.225 240 P C 0.817 178.095 177.300 -0.036 0.000 1.148 240 P CA 1.278 64.311 63.100 -0.111 0.000 0.779 240 P CB 0.405 31.990 31.700 -0.191 0.000 0.780 241 R N -1.213 119.289 120.500 0.003 0.000 2.297 241 R HA 0.098 4.438 4.340 -0.000 0.000 0.197 241 R C 1.096 177.424 176.300 0.046 0.000 0.943 241 R CA -0.245 55.866 56.100 0.017 0.000 1.038 241 R CB -0.368 29.939 30.300 0.011 0.000 0.957 241 R HN 0.129 nan 8.270 nan 0.000 0.484 242 N N 2.248 120.996 118.700 0.081 0.000 2.475 242 N HA 0.000 4.740 4.740 -0.000 0.000 0.267 242 N C -1.643 173.926 175.510 0.098 0.000 1.169 242 N CA -1.323 51.779 53.050 0.086 0.000 0.947 242 N CB 1.312 39.868 38.487 0.114 0.000 1.061 242 N HN -0.064 nan 8.380 nan 0.000 0.466 243 P HA -0.057 nan 4.420 nan 0.000 0.225 243 P C -0.056 177.334 177.300 0.150 0.000 1.148 243 P CA 1.034 64.200 63.100 0.109 0.000 0.779 243 P CB 0.370 32.129 31.700 0.097 0.000 0.780 244 L N 0.270 121.584 121.223 0.152 0.000 2.294 244 L HA 0.336 4.676 4.340 -0.000 0.000 0.283 244 L C 0.550 177.546 176.870 0.209 0.000 1.015 244 L CA -0.559 54.392 54.840 0.186 0.000 0.831 244 L CB 1.253 43.425 42.059 0.188 0.000 1.217 244 L HN -0.116 nan 8.230 nan 0.000 0.420 245 Q N 1.976 121.917 119.800 0.236 0.000 2.333 245 Q HA 0.392 4.732 4.340 -0.000 0.000 0.266 245 Q C -0.043 176.089 176.000 0.219 0.000 1.053 245 Q CA -0.795 55.170 55.803 0.271 0.000 0.890 245 Q CB 1.755 30.736 28.738 0.406 0.000 1.337 245 Q HN 0.381 nan 8.270 nan 0.000 0.474 246 K N -1.134 119.386 120.400 0.200 0.000 3.069 246 K HA -0.206 4.114 4.320 -0.000 0.000 0.267 246 K C -0.367 176.418 176.600 0.307 0.000 1.082 246 K CA 0.641 57.029 56.287 0.168 0.000 0.782 246 K CB -1.994 30.496 32.500 -0.017 0.000 1.230 246 K HN 0.635 nan 8.250 nan 0.000 0.488 247 A N 1.081 124.037 122.820 0.228 0.000 2.496 247 A HA 0.491 4.811 4.320 -0.000 0.000 0.278 247 A C 0.979 178.552 177.584 -0.019 0.000 1.137 247 A CA 0.978 53.084 52.037 0.116 0.000 0.805 247 A CB 0.162 19.128 19.000 -0.058 0.000 1.077 247 A HN 0.627 nan 8.150 nan 0.000 0.513 248 G N 0.524 109.308 108.800 -0.027 0.000 2.427 248 G HA2 0.466 4.425 3.960 -0.000 0.000 0.306 248 G HA3 0.466 4.425 3.960 -0.000 0.000 0.306 248 G C -0.302 174.558 174.900 -0.066 0.000 1.280 248 G CA 0.040 44.870 45.100 -0.450 0.000 0.837 248 G HN 1.529 nan 8.290 nan 0.000 0.482 249 H N -0.956 117.988 119.070 -0.210 0.000 2.702 249 H HA 0.037 4.593 4.556 -0.000 0.000 0.328 249 H C 0.471 175.934 175.328 0.224 0.000 1.111 249 H CA 0.916 57.051 56.048 0.145 0.000 1.109 249 H CB -1.002 28.961 29.762 0.335 0.000 1.606 249 H HN 1.325 nan 8.280 nan 0.000 0.399 250 A N 2.068 125.044 122.820 0.260 0.000 2.256 250 A HA 0.775 5.095 4.320 -0.000 0.000 0.318 250 A C 0.086 177.922 177.584 0.421 0.000 1.103 250 A CA 0.088 52.317 52.037 0.319 0.000 0.860 250 A CB 1.180 20.310 19.000 0.216 0.000 1.182 250 A HN 0.859 nan 8.150 nan 0.000 0.501 251 S N -0.356 115.558 115.700 0.357 0.000 2.549 251 S HA 0.728 5.198 4.470 -0.000 0.000 0.280 251 S C -0.797 173.976 174.600 0.288 0.000 1.109 251 S CA -0.559 57.838 58.200 0.329 0.000 0.905 251 S CB 0.985 64.290 63.200 0.174 0.000 1.081 251 S HN 0.557 nan 8.310 nan 0.000 0.477 252 I N 1.944 122.673 120.570 0.264 0.000 2.392 252 I HA 0.565 4.735 4.170 -0.000 0.000 0.295 252 I C -0.743 175.523 176.117 0.248 0.000 0.985 252 I CA -1.093 60.276 61.300 0.115 0.000 1.221 252 I CB 1.814 39.629 38.000 -0.309 0.000 1.366 252 I HN 0.470 nan 8.210 nan 0.000 0.467 253 V N 5.992 126.110 119.914 0.340 0.000 2.540 253 V HA 0.351 4.470 4.120 -0.000 0.000 0.302 253 V C -0.916 175.350 176.094 0.286 0.000 1.035 253 V CA -0.463 62.055 62.300 0.362 0.000 0.873 253 V CB 1.845 33.914 31.823 0.411 0.000 0.992 253 V HN 0.662 nan 8.190 nan 0.000 0.428 254 H N 4.137 123.146 119.070 -0.102 0.000 2.517 254 H HA 0.619 5.174 4.556 -0.000 0.000 0.317 254 H C 0.260 175.468 175.328 -0.201 0.000 1.080 254 H CA 0.112 55.755 56.048 -0.674 0.000 1.301 254 H CB 1.364 30.527 29.762 -0.998 0.000 1.425 254 H HN 0.843 nan 8.280 nan 0.000 0.471 255 T N 1.383 115.810 114.554 -0.211 0.000 2.847 255 T HA 0.054 4.404 4.350 -0.000 0.000 0.279 255 T C 1.651 176.216 174.700 -0.226 0.000 0.984 255 T CA -0.406 61.679 62.100 -0.025 0.000 0.988 255 T CB 0.553 69.434 68.868 0.021 0.000 1.040 255 T HN 0.844 nan 8.240 nan 0.000 0.528 256 H N -0.197 118.868 119.070 -0.010 0.000 2.543 256 H HA -0.047 4.509 4.556 -0.000 0.000 0.286 256 H C 1.230 176.520 175.328 -0.064 0.000 1.037 256 H CA 1.474 57.482 56.048 -0.068 0.000 1.250 256 H CB -0.947 28.814 29.762 -0.002 0.000 1.373 256 H HN 0.765 nan 8.280 nan 0.000 0.580 257 T N -2.092 112.165 114.554 -0.495 0.000 3.107 257 T HA 0.038 4.388 4.350 -0.000 0.000 0.249 257 T C 0.302 174.915 174.700 -0.146 0.000 1.096 257 T CA 0.338 62.250 62.100 -0.314 0.000 1.012 257 T CB -0.349 68.327 68.868 -0.320 0.000 0.977 257 T HN 0.351 nan 8.240 nan 0.000 0.527 258 D N 0.868 121.153 120.400 -0.192 0.000 2.716 258 D HA -0.151 4.489 4.640 -0.000 0.000 0.239 258 D C -0.428 175.898 176.300 0.044 0.000 1.125 258 D CA 0.740 54.701 54.000 -0.065 0.000 0.681 258 D CB -1.343 39.489 40.800 0.054 0.000 1.070 258 D HN 0.773 nan 8.370 nan 0.000 0.432 259 E N -0.844 119.328 120.200 -0.045 0.000 2.339 259 E HA 0.722 5.071 4.350 -0.000 0.000 0.262 259 E C -0.636 175.910 176.600 -0.090 0.000 0.934 259 E CA -0.914 55.499 56.400 0.022 0.000 0.802 259 E CB 1.043 30.780 29.700 0.062 0.000 1.275 259 E HN 0.161 nan 8.360 nan 0.000 0.427 260 W N 0.884 122.087 121.300 -0.161 0.000 2.839 260 W HA 0.521 5.181 4.660 -0.000 0.000 0.334 260 W C -1.120 175.077 176.519 -0.537 0.000 1.064 260 W CA -0.350 56.939 57.345 -0.093 0.000 1.236 260 W CB 0.937 30.447 29.460 0.084 0.000 1.405 260 W HN 0.349 nan 8.180 nan 0.000 0.478 261 F N 2.400 122.543 119.950 0.323 0.000 2.629 261 F HA 0.697 5.224 4.527 -0.000 0.000 0.316 261 F C -0.857 175.066 175.800 0.205 0.000 1.081 261 F CA -1.394 56.733 58.000 0.213 0.000 0.954 261 F CB 1.594 40.683 39.000 0.148 0.000 1.337 261 F HN 0.005 nan 8.300 nan 0.000 0.474 262 L N 2.890 124.331 121.223 0.364 0.000 2.406 262 L HA 0.745 5.084 4.340 -0.000 0.000 0.272 262 L C -0.966 176.081 176.870 0.295 0.000 0.980 262 L CA -0.724 54.281 54.840 0.275 0.000 0.831 262 L CB 1.580 43.746 42.059 0.179 0.000 1.253 262 L HN 0.477 nan 8.230 nan 0.000 0.406 263 V N 1.882 121.945 119.914 0.248 0.000 2.785 263 V HA 0.834 4.953 4.120 -0.000 0.000 0.300 263 V C -0.504 175.730 176.094 0.234 0.000 1.062 263 V CA 0.047 62.441 62.300 0.156 0.000 1.029 263 V CB 1.194 33.055 31.823 0.065 0.000 1.024 263 V HN 1.081 nan 8.190 nan 0.000 0.477 264 H N 2.280 121.410 119.070 0.100 0.000 3.014 264 H HA 0.743 5.299 4.556 -0.000 0.000 0.337 264 H C -0.913 174.482 175.328 0.111 0.000 1.320 264 H CA -1.063 55.061 56.048 0.127 0.000 1.128 264 H CB 1.155 30.981 29.762 0.106 0.000 1.862 264 H HN 0.929 nan 8.280 nan 0.000 0.536 265 L N -0.650 120.737 121.223 0.272 0.000 2.439 265 L HA 0.873 5.213 4.340 -0.000 0.000 0.259 265 L C 0.047 177.097 176.870 0.299 0.000 1.129 265 L CA -0.236 54.722 54.840 0.195 0.000 0.803 265 L CB 1.322 43.508 42.059 0.211 0.000 1.161 265 L HN 0.955 nan 8.230 nan 0.000 0.462 266 T N -0.103 114.566 114.554 0.192 0.000 2.957 266 T HA 0.692 5.042 4.350 -0.000 0.000 0.336 266 T C -0.765 174.027 174.700 0.152 0.000 1.462 266 T CA -0.077 62.151 62.100 0.214 0.000 1.073 266 T CB 1.035 70.041 68.868 0.230 0.000 1.319 266 T HN 1.208 nan 8.240 nan 0.000 0.485 267 G N 2.377 111.268 108.800 0.152 0.000 2.470 267 G HA2 0.634 4.593 3.960 -0.000 0.000 0.320 267 G HA3 0.634 4.593 3.960 -0.000 0.000 0.320 267 G C -1.024 174.008 174.900 0.220 0.000 1.245 267 G CA -0.754 44.437 45.100 0.152 0.000 0.935 267 G HN 0.697 nan 8.290 nan 0.000 0.476 268 R N 3.059 123.724 120.500 0.274 0.000 2.247 268 R HA 0.316 4.656 4.340 -0.000 0.000 0.329 268 R C -2.503 174.038 176.300 0.401 0.000 1.014 268 R CA -1.380 54.928 56.100 0.347 0.000 0.907 268 R CB 1.459 32.032 30.300 0.456 0.000 1.146 268 R HN 0.325 nan 8.270 nan 0.000 0.499 269 P HA -0.074 nan 4.420 nan 0.000 0.266 269 P C -0.105 177.302 177.300 0.178 0.000 1.195 269 P CA -0.048 63.221 63.100 0.282 0.000 0.768 269 P CB 0.604 32.434 31.700 0.217 0.000 0.838 270 L N 4.738 126.086 121.223 0.207 0.000 2.503 270 L HA 0.048 4.388 4.340 -0.000 0.000 0.287 270 L C -1.651 175.216 176.870 -0.005 0.000 1.252 270 L CA -1.224 53.644 54.840 0.046 0.000 0.835 270 L CB -0.639 41.533 42.059 0.189 0.000 1.099 270 L HN 0.318 nan 8.230 nan 0.000 0.516 271 P HA 0.023 nan 4.420 nan 0.000 0.265 271 P C -0.325 176.976 177.300 0.002 0.000 1.187 271 P CA 0.293 63.367 63.100 -0.044 0.000 0.766 271 P CB 0.418 32.088 31.700 -0.050 0.000 0.820 272 R N 0.747 121.249 120.500 0.003 0.000 2.572 272 R HA 0.106 4.446 4.340 -0.000 0.000 0.370 272 R C -0.276 176.023 176.300 -0.002 0.000 1.005 272 R CA -0.265 55.842 56.100 0.012 0.000 1.146 272 R CB 0.438 30.748 30.300 0.015 0.000 1.390 272 R HN 0.522 nan 8.270 nan 0.000 0.553 273 E N 0.413 120.609 120.200 -0.006 0.000 2.529 273 E HA 0.078 4.427 4.350 -0.000 0.000 0.259 273 E C 1.162 177.755 176.600 -0.011 0.000 0.966 273 E CA 1.579 57.974 56.400 -0.009 0.000 0.937 273 E CB 0.331 30.026 29.700 -0.008 0.000 0.923 273 E HN 0.416 nan 8.360 nan 0.000 0.468 274 G N 2.710 111.503 108.800 -0.013 0.000 2.234 274 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.235 274 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.235 274 G C 0.167 175.058 174.900 -0.016 0.000 0.997 274 G CA -0.036 45.055 45.100 -0.014 0.000 0.623 274 G HN 0.481 nan 8.290 nan 0.000 0.514 275 Q N 1.167 120.958 119.800 -0.015 0.000 2.259 275 Q HA 0.515 4.854 4.340 -0.000 0.000 0.246 275 Q C -2.268 173.720 176.000 -0.019 0.000 0.920 275 Q CA -1.657 54.138 55.803 -0.014 0.000 0.895 275 Q CB 0.901 29.636 28.738 -0.006 0.000 1.220 275 Q HN 0.177 nan 8.270 nan 0.000 0.439 276 P HA -0.109 nan 4.420 nan 0.000 0.261 276 P C 0.099 177.375 177.300 -0.040 0.000 1.183 276 P CA 0.037 63.122 63.100 -0.026 0.000 0.761 276 P CB 0.497 32.186 31.700 -0.020 0.000 0.785 277 L N 4.463 125.655 121.223 -0.052 0.000 2.043 277 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 277 L C 1.565 178.370 176.870 -0.107 0.000 1.075 277 L CA 2.038 56.833 54.840 -0.075 0.000 0.752 277 L CB -0.477 41.536 42.059 -0.076 0.000 0.891 277 L HN 0.424 nan 8.230 nan 0.000 0.432 278 L N -1.935 119.228 121.223 -0.099 0.000 2.638 278 L HA 0.095 4.435 4.340 -0.000 0.000 0.232 278 L C 2.106 178.917 176.870 -0.098 0.000 1.099 278 L CA -0.009 54.757 54.840 -0.123 0.000 0.883 278 L CB 0.026 42.018 42.059 -0.112 0.000 1.136 278 L HN 0.200 nan 8.230 nan 0.000 0.492 279 E N 0.411 120.578 120.200 -0.056 0.000 2.031 279 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 279 E C 0.666 177.269 176.600 0.004 0.000 0.994 279 E CA 1.362 57.754 56.400 -0.014 0.000 0.800 279 E CB 0.226 29.930 29.700 0.008 0.000 0.752 279 E HN 0.212 nan 8.360 nan 0.000 0.447 280 H N -1.056 117.942 119.070 -0.119 0.000 2.840 280 H HA 0.354 4.910 4.556 -0.000 0.000 0.340 280 H C -0.223 174.935 175.328 -0.284 0.000 1.004 280 H CA -0.504 55.438 56.048 -0.177 0.000 1.288 280 H CB 0.940 30.625 29.762 -0.128 0.000 1.607 280 H HN 0.035 nan 8.280 nan 0.000 0.522 281 R N 2.479 122.540 120.500 -0.731 0.000 2.310 281 R HA 0.251 4.591 4.340 -0.000 0.000 0.202 281 R C 0.429 176.360 176.300 -0.615 0.000 0.933 281 R CA 0.486 56.113 56.100 -0.789 0.000 1.054 281 R CB 0.687 30.252 30.300 -1.226 0.000 0.985 281 R HN 0.795 nan 8.270 nan 0.000 0.489 282 G N -0.414 108.190 108.800 -0.326 0.000 2.351 282 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.353 282 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.353 282 G C -1.888 173.016 174.900 0.007 0.000 1.358 282 G CA -1.054 44.053 45.100 0.013 0.000 0.995 282 G HN 0.067 nan 8.290 nan 0.000 0.611 283 Y N -0.876 119.622 120.300 0.330 0.000 2.361 283 Y HA 0.546 5.096 4.550 -0.000 0.000 0.337 283 Y C 0.412 176.499 175.900 0.312 0.000 0.965 283 Y CA -0.716 57.584 58.100 0.333 0.000 1.091 283 Y CB 2.215 40.858 38.460 0.305 0.000 1.182 283 Y HN 0.690 nan 8.280 nan 0.000 0.450 284 C N 5.403 124.949 119.300 0.409 0.000 2.357 284 C HA 0.226 4.686 4.460 -0.000 0.000 0.300 284 C C -1.219 173.945 174.990 0.291 0.000 1.074 284 C CA -1.455 57.776 59.018 0.354 0.000 1.566 284 C CB 0.053 27.954 27.740 0.268 0.000 1.791 284 C HN 0.655 nan 8.230 nan 0.000 0.415 285 P HA -0.053 nan 4.420 nan 0.000 0.229 285 P C 0.854 178.219 177.300 0.108 0.000 1.160 285 P CA 1.094 64.298 63.100 0.173 0.000 0.777 285 P CB 0.255 32.086 31.700 0.218 0.000 0.814 286 L N -1.470 119.833 121.223 0.134 0.000 2.612 286 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 286 L C 1.539 178.454 176.870 0.075 0.000 1.140 286 L CA 0.255 55.119 54.840 0.040 0.000 0.896 286 L CB -1.179 40.807 42.059 -0.122 0.000 1.065 286 L HN 0.083 nan 8.230 nan 0.000 0.447 287 G N 1.361 110.236 108.800 0.124 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 -0.132 174.851 174.900 0.137 0.000 1.233 287 G CA -0.342 44.840 45.100 0.137 0.000 0.936 287 G HN 0.373 nan 8.290 nan 0.000 0.571 288 R N 1.134 121.729 120.500 0.159 0.000 2.294 288 R HA 0.534 4.874 4.340 -0.000 0.000 0.319 288 R C 0.101 176.480 176.300 0.132 0.000 0.984 288 R CA -0.378 55.804 56.100 0.137 0.000 0.861 288 R CB 1.429 31.804 30.300 0.125 0.000 1.104 288 R HN 0.625 nan 8.270 nan 0.000 0.451 289 E N 0.756 121.009 120.200 0.087 0.000 2.243 289 E HA 0.291 4.640 4.350 -0.000 0.000 0.260 289 E C -0.551 176.029 176.600 -0.033 0.000 0.985 289 E CA -0.802 55.618 56.400 0.033 0.000 0.858 289 E CB 1.692 31.392 29.700 0.000 0.000 1.210 289 E HN 0.304 nan 8.360 nan 0.000 0.411 290 T N 1.128 115.595 114.554 -0.144 0.000 2.749 290 T HA 0.529 4.878 4.350 -0.000 0.000 0.287 290 T C -0.542 173.969 174.700 -0.315 0.000 0.970 290 T CA -0.482 61.472 62.100 -0.244 0.000 0.980 290 T CB 0.969 69.640 68.868 -0.329 0.000 0.924 290 T HN 0.494 nan 8.240 nan 0.000 0.456 291 A N 3.611 126.175 122.820 -0.427 0.000 2.309 291 A HA 0.948 5.268 4.320 -0.000 0.000 0.317 291 A C -0.792 176.545 177.584 -0.412 0.000 1.134 291 A CA -0.872 50.889 52.037 -0.461 0.000 0.866 291 A CB 1.010 19.679 19.000 -0.551 0.000 1.329 291 A HN 0.855 nan 8.150 nan 0.000 0.477 292 I N -0.679 119.802 120.570 -0.148 0.000 2.722 292 I HA 0.433 4.602 4.170 -0.000 0.000 0.295 292 I C -1.490 174.751 176.117 0.207 0.000 1.161 292 I CA -0.510 60.825 61.300 0.057 0.000 1.032 292 I CB 1.985 40.013 38.000 0.048 0.000 1.244 292 I HN 0.638 nan 8.210 nan 0.000 0.421 293 Q N 5.664 125.648 119.800 0.307 0.000 2.433 293 Q HA 0.480 4.820 4.340 -0.000 0.000 0.279 293 Q C -1.168 175.030 176.000 0.330 0.000 1.105 293 Q CA -0.792 55.178 55.803 0.279 0.000 0.815 293 Q CB 2.665 31.529 28.738 0.209 0.000 1.403 293 Q HN 0.640 nan 8.270 nan 0.000 0.435 294 R N 1.286 121.915 120.500 0.216 0.000 2.368 294 R HA 0.592 4.932 4.340 -0.000 0.000 0.302 294 R C -0.771 175.491 176.300 -0.064 0.000 1.002 294 R CA -0.281 55.823 56.100 0.007 0.000 0.929 294 R CB 0.562 30.846 30.300 -0.026 0.000 1.073 294 R HN 0.525 nan 8.270 nan 0.000 0.464 295 L N 3.384 124.517 121.223 -0.149 0.000 2.334 295 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 295 L C -0.026 176.779 176.870 -0.108 0.000 1.020 295 L CA -0.669 54.093 54.840 -0.130 0.000 0.812 295 L CB 1.771 43.727 42.059 -0.172 0.000 1.264 295 L HN 0.750 nan 8.230 nan 0.000 0.439 296 E N 0.451 120.575 120.200 -0.126 0.000 2.392 296 E HA 0.470 4.820 4.350 -0.000 0.000 0.269 296 E C -1.873 174.630 176.600 -0.162 0.000 0.924 296 E CA -0.927 55.447 56.400 -0.045 0.000 0.784 296 E CB 1.694 31.397 29.700 0.005 0.000 1.292 296 E HN 0.350 nan 8.360 nan 0.000 0.447 297 W N 0.668 121.918 121.300 -0.084 0.000 2.578 297 W HA 0.604 5.264 4.660 -0.000 0.000 0.353 297 W C -0.332 176.173 176.519 -0.023 0.000 1.088 297 W CA -0.556 56.740 57.345 -0.081 0.000 1.235 297 W CB 1.849 31.175 29.460 -0.223 0.000 1.362 297 W HN 0.484 nan 8.180 nan 0.000 0.592 298 K N 1.755 122.338 120.400 0.304 0.000 2.545 298 K HA 0.027 4.347 4.320 -0.000 0.000 0.291 298 K C -1.083 175.668 176.600 0.252 0.000 1.093 298 K CA -0.314 56.069 56.287 0.161 0.000 1.012 298 K CB 0.611 33.072 32.500 -0.064 0.000 1.354 298 K HN 0.629 nan 8.250 nan 0.000 0.460 299 D N 2.889 123.396 120.400 0.177 0.000 2.772 299 D HA -0.187 4.453 4.640 -0.000 0.000 0.233 299 D C 0.511 176.867 176.300 0.093 0.000 1.143 299 D CA 1.935 56.030 54.000 0.158 0.000 0.700 299 D CB -0.867 40.053 40.800 0.201 0.000 1.076 299 D HN 1.141 nan 8.370 nan 0.000 0.430 300 G N -0.988 107.886 108.800 0.124 0.000 2.153 300 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 300 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 300 G C -0.146 174.739 174.900 -0.025 0.000 0.994 300 G CA 0.488 45.621 45.100 0.054 0.000 0.698 300 G HN 0.388 nan 8.290 nan 0.000 0.521 301 W N 0.679 122.145 121.300 0.276 0.000 2.683 301 W HA 0.546 5.206 4.660 -0.000 0.000 0.329 301 W C -2.066 174.233 176.519 -0.367 0.000 1.037 301 W CA -2.678 54.614 57.345 -0.088 0.000 1.232 301 W CB 2.178 31.422 29.460 -0.359 0.000 1.390 301 W HN -0.048 nan 8.180 nan 0.000 0.465 302 P HA 0.151 nan 4.420 nan 0.000 0.279 302 P C -1.382 175.677 177.300 -0.401 0.000 1.239 302 P CA 0.087 62.490 63.100 -1.163 0.000 0.789 302 P CB 1.095 31.865 31.700 -1.549 0.000 0.933 303 Y N 0.224 120.316 120.300 -0.347 0.000 2.425 303 Y HA 0.253 4.802 4.550 -0.000 0.000 0.344 303 Y C 0.399 176.198 175.900 -0.168 0.000 0.969 303 Y CA -1.337 56.671 58.100 -0.153 0.000 1.052 303 Y CB 2.142 40.561 38.460 -0.069 0.000 1.215 303 Y HN 0.038 nan 8.280 nan 0.000 0.451 304 V N 4.725 124.628 119.914 -0.017 0.000 2.479 304 V HA 0.025 4.145 4.120 -0.000 0.000 0.281 304 V C 0.068 176.172 176.094 0.015 0.000 1.031 304 V CA -0.469 61.817 62.300 -0.023 0.000 1.038 304 V CB 0.473 32.266 31.823 -0.051 0.000 0.981 304 V HN 0.491 nan 8.190 nan 0.000 0.478 305 V N 5.285 125.202 119.914 0.006 0.000 2.585 305 V HA 0.467 4.587 4.120 -0.000 0.000 0.296 305 V C 1.272 177.369 176.094 0.004 0.000 1.035 305 V CA 1.269 63.574 62.300 0.009 0.000 1.084 305 V CB 0.411 32.236 31.823 0.004 0.000 0.953 305 V HN 1.273 nan 8.190 nan 0.000 0.483 306 G N 3.115 111.913 108.800 -0.004 0.000 2.134 306 G HA2 0.251 4.211 3.960 -0.000 0.000 0.209 306 G HA3 0.251 4.211 3.960 -0.000 0.000 0.209 306 G C 0.686 175.554 174.900 -0.053 0.000 0.993 306 G CA -0.047 45.038 45.100 -0.025 0.000 0.669 306 G HN 2.282 nan 8.290 nan 0.000 0.519 307 G N -0.198 108.587 108.800 -0.024 0.000 2.685 307 G HA2 0.206 4.166 3.960 -0.000 0.000 0.387 307 G HA3 0.206 4.166 3.960 -0.000 0.000 0.387 307 G C 0.360 175.240 174.900 -0.033 0.000 1.324 307 G CA 0.447 45.535 45.100 -0.020 0.000 0.878 307 G HN 1.832 nan 8.290 nan 0.000 0.527 308 N N 0.491 119.191 118.700 0.001 0.000 2.383 308 N HA 0.308 5.048 4.740 -0.000 0.000 0.192 308 N C 0.925 176.437 175.510 0.004 0.000 1.141 308 N CA 1.232 54.280 53.050 -0.003 0.000 0.851 308 N CB 0.048 38.533 38.487 -0.003 0.000 0.976 308 N HN 1.247 nan 8.380 nan 0.000 0.465 309 G N 0.840 109.534 108.800 -0.177 0.000 2.451 309 G HA2 0.466 4.426 3.960 -0.000 0.000 0.303 309 G HA3 0.466 4.426 3.960 -0.000 0.000 0.303 309 G C -2.772 172.012 174.900 -0.195 0.000 1.166 309 G CA -1.273 43.648 45.100 -0.299 0.000 0.884 309 G HN 0.132 nan 8.290 nan 0.000 0.514 310 P HA 0.228 nan 4.420 nan 0.000 0.280 310 P C -0.244 177.056 177.300 0.000 0.000 1.244 310 P CA -0.244 62.840 63.100 -0.026 0.000 0.784 310 P CB 1.504 33.231 31.700 0.045 0.000 0.913 311 S N 2.336 118.058 115.700 0.036 0.000 2.565 311 S HA 0.107 4.577 4.470 -0.000 0.000 0.274 311 S C 1.355 176.000 174.600 0.075 0.000 1.309 311 S CA -0.461 57.762 58.200 0.038 0.000 1.043 311 S CB 0.521 63.745 63.200 0.041 0.000 0.939 311 S HN 0.407 nan 8.310 nan 0.000 0.504 312 L N 2.618 123.876 121.223 0.059 0.000 2.093 312 L HA 0.197 4.537 4.340 -0.000 0.000 0.208 312 L C 0.806 177.714 176.870 0.063 0.000 1.085 312 L CA 1.708 56.589 54.840 0.067 0.000 0.755 312 L CB -0.168 41.927 42.059 0.059 0.000 0.904 312 L HN 0.746 nan 8.230 nan 0.000 0.435 313 E N -0.218 120.015 120.200 0.056 0.000 2.256 313 E HA 0.471 4.820 4.350 -0.000 0.000 0.268 313 E C -1.103 175.534 176.600 0.063 0.000 0.877 313 E CA -0.629 55.804 56.400 0.055 0.000 0.757 313 E CB 1.556 31.283 29.700 0.044 0.000 1.183 313 E HN 0.255 nan 8.360 nan 0.000 0.418 314 I N 0.005 120.621 120.570 0.076 0.000 3.108 314 I HA 0.570 4.740 4.170 -0.000 0.000 0.312 314 I C -0.965 175.211 176.117 0.099 0.000 1.095 314 I CA -1.019 60.342 61.300 0.101 0.000 1.000 314 I CB 2.206 40.298 38.000 0.154 0.000 1.229 314 I HN 0.258 nan 8.210 nan 0.000 0.454 315 D N 3.457 123.929 120.400 0.120 0.000 2.325 315 D HA 0.337 4.977 4.640 -0.000 0.000 0.251 315 D C 0.334 176.748 176.300 0.190 0.000 1.196 315 D CA 0.207 54.277 54.000 0.116 0.000 0.866 315 D CB 1.721 42.579 40.800 0.097 0.000 1.101 315 D HN 0.839 nan 8.370 nan 0.000 0.476 316 G N 2.682 111.542 108.800 0.100 0.000 2.621 316 G HA2 0.350 4.310 3.960 -0.000 0.000 0.271 316 G HA3 0.350 4.310 3.960 -0.000 0.000 0.271 316 G C -2.258 172.709 174.900 0.112 0.000 1.236 316 G CA -0.765 44.356 45.100 0.035 0.000 0.958 316 G HN 0.276 nan 8.290 nan 0.000 0.512 317 P HA 0.176 nan 4.420 nan 0.000 0.277 317 P C 0.080 177.374 177.300 -0.010 0.000 1.240 317 P CA -0.358 62.800 63.100 0.098 0.000 0.798 317 P CB 1.170 32.850 31.700 -0.034 0.000 0.979 318 S N 0.401 116.100 115.700 -0.002 0.000 4.117 318 S HA 0.320 4.790 4.470 -0.000 0.000 0.191 318 S C 0.587 175.164 174.600 -0.037 0.000 1.308 318 S CA -0.579 57.611 58.200 -0.018 0.000 0.906 318 S CB -1.578 61.619 63.200 -0.006 0.000 1.565 318 S HN 0.445 nan 8.310 nan 0.000 0.439 319 V N -1.826 118.060 119.914 -0.046 0.000 3.001 319 V HA 0.607 4.727 4.120 -0.000 0.000 0.314 319 V C -0.281 175.784 176.094 -0.048 0.000 1.099 319 V CA -1.268 61.017 62.300 -0.025 0.000 0.989 319 V CB 1.657 33.479 31.823 -0.002 0.000 1.040 319 V HN 0.362 nan 8.190 nan 0.000 0.434 320 E N 1.882 122.056 120.200 -0.042 0.000 2.415 320 E HA 0.082 4.431 4.350 -0.000 0.000 0.263 320 E C -0.022 176.507 176.600 -0.118 0.000 0.995 320 E CA 0.429 56.787 56.400 -0.071 0.000 0.915 320 E CB 0.883 30.546 29.700 -0.063 0.000 0.951 320 E HN 0.902 nan 8.360 nan 0.000 0.449 321 E N 1.883 122.002 120.200 -0.135 0.000 2.415 321 E HA 0.076 4.426 4.350 -0.000 0.000 0.263 321 E C -1.014 175.433 176.600 -0.255 0.000 0.995 321 E CA -0.158 56.128 56.400 -0.191 0.000 0.915 321 E CB 0.612 30.215 29.700 -0.163 0.000 0.951 321 E HN 0.065 nan 8.360 nan 0.000 0.449 322 V N 4.757 124.442 119.914 -0.382 0.000 2.349 322 V HA 0.188 4.308 4.120 -0.000 0.000 0.284 322 V C -0.260 175.294 176.094 -0.899 0.000 1.014 322 V CA -0.667 61.281 62.300 -0.586 0.000 0.826 322 V CB 1.413 32.859 31.823 -0.630 0.000 1.009 322 V HN 0.642 nan 8.190 nan 0.000 0.431 323 S N 3.684 118.983 115.700 -0.668 0.000 2.610 323 S HA 0.599 5.069 4.470 -0.000 0.000 0.273 323 S C -0.790 173.436 174.600 -0.625 0.000 1.274 323 S CA -0.381 57.472 58.200 -0.579 0.000 1.023 323 S CB 0.869 63.916 63.200 -0.256 0.000 0.962 323 S HN 0.644 nan 8.310 nan 0.000 0.523 324 W N 1.311 122.612 121.300 0.002 0.000 2.689 324 W HA 0.393 5.053 4.660 -0.000 0.000 0.340 324 W C 0.154 176.695 176.519 0.037 0.000 1.060 324 W CA -1.014 56.350 57.345 0.030 0.000 1.218 324 W CB 0.690 30.188 29.460 0.063 0.000 1.410 324 W HN 0.649 nan 8.180 nan 0.000 0.528 325 E N 2.073 122.454 120.200 0.300 0.000 2.373 325 E HA 0.179 4.529 4.350 -0.000 0.000 0.263 325 E C -0.248 176.456 176.600 0.174 0.000 1.073 325 E CA -0.802 55.701 56.400 0.170 0.000 0.894 325 E CB 1.179 30.948 29.700 0.114 0.000 1.008 325 E HN 0.353 nan 8.360 nan 0.000 0.420 326 K N 1.512 121.974 120.400 0.103 0.000 2.511 326 K HA -0.098 4.222 4.320 -0.000 0.000 0.280 326 K C -0.034 176.628 176.600 0.104 0.000 1.008 326 K CA 0.490 56.822 56.287 0.076 0.000 1.050 326 K CB 0.372 32.831 32.500 -0.069 0.000 0.889 326 K HN 0.631 nan 8.250 nan 0.000 0.484 327 D N 3.561 124.104 120.400 0.238 0.000 2.424 327 D HA 0.026 4.666 4.640 -0.000 0.000 0.220 327 D C -0.603 175.904 176.300 0.345 0.000 1.150 327 D CA -0.102 54.058 54.000 0.267 0.000 0.831 327 D CB -0.327 40.686 40.800 0.355 0.000 0.981 327 D HN 0.479 nan 8.370 nan 0.000 0.500 328 Y N -2.148 118.247 120.300 0.158 0.000 2.597 328 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 328 Y C -1.440 174.507 175.900 0.077 0.000 1.097 328 Y CA -1.485 56.690 58.100 0.124 0.000 1.037 328 Y CB 0.929 39.511 38.460 0.204 0.000 1.305 328 Y HN -0.376 nan 8.280 nan 0.000 0.463 329 D N 2.464 122.911 120.400 0.077 0.000 2.277 329 D HA 0.082 4.722 4.640 -0.000 0.000 0.249 329 D C 0.874 177.188 176.300 0.024 0.000 1.134 329 D CA -0.029 53.950 54.000 -0.034 0.000 0.863 329 D CB 1.862 42.672 40.800 0.015 0.000 1.143 329 D HN 0.949 nan 8.370 nan 0.000 0.458 330 E N 2.906 123.033 120.200 -0.122 0.000 2.136 330 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 330 E C 0.197 176.837 176.600 0.067 0.000 1.019 330 E CA 1.282 57.684 56.400 0.004 0.000 0.819 330 E CB 0.275 29.928 29.700 -0.078 0.000 0.739 330 E HN 0.215 nan 8.360 nan 0.000 0.458 331 K N 1.164 121.558 120.400 -0.010 0.000 2.473 331 K HA 0.070 4.390 4.320 -0.000 0.000 0.246 331 K C -1.448 175.129 176.600 -0.039 0.000 1.011 331 K CA -0.567 55.688 56.287 -0.052 0.000 0.984 331 K CB 1.041 33.423 32.500 -0.196 0.000 1.250 331 K HN -0.085 nan 8.250 nan 0.000 0.454 332 D N 3.313 123.725 120.400 0.020 0.000 2.344 332 D HA 0.017 4.657 4.640 -0.000 0.000 0.253 332 D C -0.008 176.122 176.300 -0.282 0.000 1.255 332 D CA 0.101 54.046 54.000 -0.092 0.000 0.894 332 D CB 0.955 41.725 40.800 -0.050 0.000 1.067 332 D HN 0.502 nan 8.370 nan 0.000 0.492 333 D N 3.236 123.548 120.400 -0.147 0.000 2.340 333 D HA -0.066 4.574 4.640 -0.000 0.000 0.220 333 D C 0.358 176.692 176.300 0.057 0.000 1.039 333 D CA -0.037 53.930 54.000 -0.055 0.000 0.866 333 D CB -0.002 40.797 40.800 -0.001 0.000 0.913 333 D HN 0.411 nan 8.370 nan 0.000 0.523 334 F N 0.575 120.621 119.950 0.160 0.000 3.091 334 F HA -0.212 4.314 4.527 -0.000 0.000 0.288 334 F C 0.950 176.814 175.800 0.107 0.000 0.907 334 F CA -0.061 58.021 58.000 0.137 0.000 1.028 334 F CB -2.045 37.035 39.000 0.133 0.000 1.022 334 F HN 0.018 nan 8.300 nan 0.000 0.665 335 D N -0.529 120.008 120.400 0.229 0.000 2.333 335 D HA 0.119 4.759 4.640 -0.000 0.000 0.208 335 D C 1.826 178.211 176.300 0.141 0.000 0.984 335 D CA 1.051 55.147 54.000 0.161 0.000 0.873 335 D CB 0.033 40.898 40.800 0.109 0.000 0.935 335 D HN 0.456 nan 8.370 nan 0.000 0.521 336 G N 1.186 110.081 108.800 0.159 0.000 2.651 336 G HA2 0.061 4.020 3.960 -0.000 0.000 0.260 336 G HA3 0.061 4.020 3.960 -0.000 0.000 0.260 336 G C 0.784 175.752 174.900 0.113 0.000 1.216 336 G CA -0.290 44.883 45.100 0.122 0.000 0.913 336 G HN 0.023 nan 8.290 nan 0.000 0.535 337 D N -1.613 118.834 120.400 0.079 0.000 2.271 337 D HA -0.026 4.614 4.640 -0.000 0.000 0.206 337 D C 1.116 177.451 176.300 0.058 0.000 0.967 337 D CA 1.077 55.114 54.000 0.061 0.000 0.867 337 D CB -0.086 40.738 40.800 0.041 0.000 0.960 337 D HN 0.448 nan 8.370 nan 0.000 0.509 338 T N -1.447 113.146 114.554 0.064 0.000 2.916 338 T HA 0.549 4.898 4.350 -0.000 0.000 0.292 338 T C -0.011 174.755 174.700 0.110 0.000 1.055 338 T CA -0.932 61.206 62.100 0.064 0.000 1.009 338 T CB 2.198 71.090 68.868 0.039 0.000 1.118 338 T HN -0.063 nan 8.240 nan 0.000 0.497 339 L N 2.800 124.096 121.223 0.120 0.000 2.455 339 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 339 L C 1.445 178.467 176.870 0.252 0.000 1.174 339 L CA -0.422 54.552 54.840 0.223 0.000 0.869 339 L CB 0.247 42.401 42.059 0.158 0.000 1.130 339 L HN 0.773 nan 8.230 nan 0.000 0.474 340 N N 2.520 121.428 118.700 0.347 0.000 2.225 340 N HA -0.161 4.579 4.740 -0.000 0.000 0.257 340 N C 1.019 176.610 175.510 0.136 0.000 1.252 340 N CA 0.279 53.436 53.050 0.178 0.000 0.833 340 N CB 0.437 39.000 38.487 0.127 0.000 1.068 340 N HN 0.725 nan 8.380 nan 0.000 0.468 341 H N 1.829 120.794 119.070 -0.175 0.000 2.556 341 H HA 0.042 4.597 4.556 -0.000 0.000 0.268 341 H C 0.455 175.542 175.328 -0.402 0.000 0.996 341 H CA 0.143 56.035 56.048 -0.259 0.000 1.157 341 H CB 0.072 29.662 29.762 -0.286 0.000 1.355 341 H HN 0.574 nan 8.280 nan 0.000 0.597 342 H N 0.309 119.318 119.070 -0.101 0.000 2.535 342 H HA 0.033 4.589 4.556 -0.000 0.000 0.273 342 H C -0.160 174.953 175.328 -0.359 0.000 0.983 342 H CA -0.080 55.751 56.048 -0.362 0.000 1.238 342 H CB -0.035 29.394 29.762 -0.555 0.000 1.412 342 H HN 0.264 nan 8.280 nan 0.000 0.562 343 F N 2.357 122.274 119.950 -0.055 0.000 2.456 343 F HA 0.194 4.721 4.527 -0.000 0.000 0.358 343 F C 0.870 176.636 175.800 -0.056 0.000 1.095 343 F CA -0.059 57.883 58.000 -0.097 0.000 1.216 343 F CB 0.666 39.615 39.000 -0.085 0.000 1.125 343 F HN -0.021 nan 8.300 nan 0.000 0.549 344 Q N 0.795 120.703 119.800 0.181 0.000 2.495 344 Q HA 0.668 5.007 4.340 -0.000 0.000 0.283 344 Q C -0.585 175.541 176.000 0.211 0.000 1.097 344 Q CA -1.136 54.789 55.803 0.202 0.000 0.836 344 Q CB 2.527 31.423 28.738 0.264 0.000 1.426 344 Q HN 0.673 nan 8.270 nan 0.000 0.459 345 T N -2.204 112.513 114.554 0.272 0.000 2.930 345 T HA 0.632 4.982 4.350 -0.000 0.000 0.290 345 T C -0.427 174.311 174.700 0.063 0.000 1.052 345 T CA -0.868 61.303 62.100 0.118 0.000 1.017 345 T CB 0.661 69.558 68.868 0.050 0.000 1.137 345 T HN 0.358 nan 8.240 nan 0.000 0.511 346 L N 2.551 123.651 121.223 -0.205 0.000 2.313 346 L HA 0.476 4.816 4.340 -0.000 0.000 0.282 346 L C 1.420 178.149 176.870 -0.235 0.000 1.092 346 L CA -0.345 54.231 54.840 -0.440 0.000 0.831 346 L CB 0.332 42.077 42.059 -0.523 0.000 1.159 346 L HN 0.894 nan 8.230 nan 0.000 0.442 347 R N 1.276 121.674 120.500 -0.170 0.000 1.373 347 R HA -0.261 4.078 4.340 -0.000 0.000 0.053 347 R C 0.087 176.289 176.300 -0.164 0.000 0.951 347 R CA 2.162 58.194 56.100 -0.115 0.000 1.972 347 R CB -1.222 28.967 30.300 -0.186 0.000 0.285 347 R HN 0.727 nan 8.270 nan 0.000 0.723 348 I N -0.869 119.509 120.570 -0.320 0.000 2.957 348 I HA 0.673 4.842 4.170 -0.000 0.000 0.310 348 I C -2.588 173.075 176.117 -0.756 0.000 1.063 348 I CA -2.732 58.193 61.300 -0.625 0.000 1.033 348 I CB 2.225 40.012 38.000 -0.354 0.000 1.230 348 I HN -0.159 nan 8.210 nan 0.000 0.447 349 P HA 0.353 nan 4.420 nan 0.000 0.281 349 P C -1.233 175.937 177.300 -0.217 0.000 1.249 349 P CA -0.289 62.555 63.100 -0.427 0.000 0.810 349 P CB 1.368 32.892 31.700 -0.294 0.000 1.008 350 L N 1.790 122.952 121.223 -0.101 0.000 2.287 350 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 350 L C 1.274 178.111 176.870 -0.055 0.000 1.022 350 L CA -0.613 54.177 54.840 -0.082 0.000 0.814 350 L CB 1.487 43.503 42.059 -0.072 0.000 1.217 350 L HN 0.451 nan 8.230 nan 0.000 0.420 351 G N 1.084 109.851 108.800 -0.056 0.000 2.588 351 G HA2 0.135 4.095 3.960 -0.000 0.000 0.281 351 G HA3 0.135 4.095 3.960 -0.000 0.000 0.281 351 G C 0.579 175.460 174.900 -0.031 0.000 1.236 351 G CA -0.366 44.709 45.100 -0.042 0.000 0.969 351 G HN 0.697 nan 8.290 nan 0.000 0.504 352 E N 0.258 120.442 120.200 -0.028 0.000 2.333 352 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 352 E C 1.754 178.337 176.600 -0.029 0.000 1.007 352 E CA 1.140 57.530 56.400 -0.016 0.000 0.845 352 E CB 0.092 29.779 29.700 -0.021 0.000 0.766 352 E HN 0.683 nan 8.360 nan 0.000 0.507 353 D N -0.179 120.175 120.400 -0.076 0.000 2.347 353 D HA -0.074 4.566 4.640 -0.000 0.000 0.215 353 D C 1.713 177.947 176.300 -0.110 0.000 0.976 353 D CA 0.415 54.311 54.000 -0.174 0.000 0.884 353 D CB -0.047 40.651 40.800 -0.171 0.000 0.915 353 D HN 0.281 nan 8.370 nan 0.000 0.526 354 I N -0.139 120.447 120.570 0.027 0.000 3.518 354 I HA 0.236 4.406 4.170 -0.000 0.000 0.260 354 I C 0.720 176.920 176.117 0.138 0.000 1.148 354 I CA 0.057 61.420 61.300 0.105 0.000 1.440 354 I CB 0.314 38.320 38.000 0.011 0.000 1.485 354 I HN -0.053 nan 8.210 nan 0.000 0.456 355 A N 0.611 123.456 122.820 0.042 0.000 2.319 355 A HA 0.697 5.016 4.320 -0.000 0.000 0.310 355 A C -0.503 177.070 177.584 -0.018 0.000 1.152 355 A CA -0.216 51.811 52.037 -0.017 0.000 0.783 355 A CB 1.137 20.081 19.000 -0.094 0.000 1.184 355 A HN 0.104 nan 8.150 nan 0.000 0.474 356 T N 2.512 117.052 114.554 -0.024 0.000 2.971 356 T HA 0.453 4.803 4.350 -0.000 0.000 0.304 356 T C 0.253 174.920 174.700 -0.055 0.000 1.038 356 T CA -0.468 61.620 62.100 -0.020 0.000 1.007 356 T CB 0.523 69.411 68.868 0.033 0.000 1.055 356 T HN 0.457 nan 8.240 nan 0.000 0.451 357 L N 3.657 124.853 121.223 -0.044 0.000 2.599 357 L HA 0.298 4.638 4.340 -0.000 0.000 0.230 357 L C 2.102 178.991 176.870 0.032 0.000 1.141 357 L CA 0.390 55.221 54.840 -0.014 0.000 0.877 357 L CB -0.099 41.971 42.059 0.018 0.000 1.009 357 L HN 0.556 nan 8.230 nan 0.000 0.447 358 K N -0.077 120.335 120.400 0.020 0.000 2.313 358 K HA 0.172 4.492 4.320 -0.000 0.000 0.197 358 K C 2.273 178.883 176.600 0.018 0.000 1.061 358 K CA 0.700 57.002 56.287 0.025 0.000 0.980 358 K CB 0.152 32.662 32.500 0.017 0.000 0.888 358 K HN 0.180 nan 8.250 nan 0.000 0.502 359 A N 1.340 124.163 122.820 0.004 0.000 1.877 359 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 359 A C 1.128 178.691 177.584 -0.035 0.000 1.186 359 A CA 1.156 53.180 52.037 -0.022 0.000 0.620 359 A CB -0.033 18.937 19.000 -0.049 0.000 0.822 359 A HN 0.080 nan 8.150 nan 0.000 0.443 360 R N -0.064 120.424 120.500 -0.019 0.000 2.435 360 R HA 0.345 4.685 4.340 -0.000 0.000 0.308 360 R C -3.182 173.183 176.300 0.109 0.000 0.975 360 R CA -2.309 53.784 56.100 -0.012 0.000 0.867 360 R CB 1.366 31.592 30.300 -0.124 0.000 1.171 360 R HN 0.067 nan 8.270 nan 0.000 0.470 361 P HA 0.023 nan 4.420 nan 0.000 0.263 361 P C 0.461 177.958 177.300 0.329 0.000 1.195 361 P CA 0.919 64.127 63.100 0.179 0.000 0.762 361 P CB 0.673 32.450 31.700 0.129 0.000 0.799 362 G N 1.393 110.368 108.800 0.292 0.000 2.148 362 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 362 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 362 G C -0.131 174.924 174.900 0.259 0.000 0.981 362 G CA -0.025 45.242 45.100 0.279 0.000 0.670 362 G HN 0.674 nan 8.290 nan 0.000 0.528 363 H N -1.685 117.523 119.070 0.229 0.000 2.768 363 H HA 0.657 5.213 4.556 -0.000 0.000 0.371 363 H C -0.294 175.019 175.328 -0.025 0.000 1.151 363 H CA -0.840 55.338 56.048 0.217 0.000 1.165 363 H CB 1.723 31.592 29.762 0.179 0.000 1.722 363 H HN 0.307 nan 8.280 nan 0.000 0.543 364 L N 2.010 123.093 121.223 -0.232 0.000 2.265 364 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 364 L C -0.097 176.749 176.870 -0.041 0.000 1.058 364 L CA -0.203 54.364 54.840 -0.455 0.000 0.809 364 L CB 0.395 41.736 42.059 -1.196 0.000 1.179 364 L HN 0.574 nan 8.230 nan 0.000 0.429 365 R N 5.524 125.986 120.500 -0.063 0.000 2.294 365 R HA 0.615 4.955 4.340 -0.000 0.000 0.319 365 R C -1.570 174.678 176.300 -0.087 0.000 0.984 365 R CA -0.545 55.517 56.100 -0.063 0.000 0.861 365 R CB 0.668 30.831 30.300 -0.228 0.000 1.104 365 R HN 0.771 nan 8.270 nan 0.000 0.451 366 L N 5.447 126.662 121.223 -0.012 0.000 2.305 366 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 366 L C -0.965 175.858 176.870 -0.079 0.000 1.013 366 L CA -0.992 53.833 54.840 -0.024 0.000 0.819 366 L CB 1.366 43.438 42.059 0.021 0.000 1.227 366 L HN 0.604 nan 8.230 nan 0.000 0.417 367 Y N 1.267 121.600 120.300 0.055 0.000 2.365 367 Y HA 0.299 4.849 4.550 -0.000 0.000 0.340 367 Y C 1.268 177.185 175.900 0.028 0.000 1.016 367 Y CA -0.175 57.976 58.100 0.086 0.000 1.196 367 Y CB 1.219 39.706 38.460 0.045 0.000 1.167 367 Y HN 0.646 nan 8.280 nan 0.000 0.509 368 G N 5.104 113.996 108.800 0.153 0.000 2.313 368 G HA2 0.213 4.172 3.960 -0.000 0.000 0.250 368 G HA3 0.213 4.172 3.960 -0.000 0.000 0.250 368 G C 0.354 175.290 174.900 0.060 0.000 1.281 368 G CA -0.498 44.641 45.100 0.065 0.000 0.917 368 G HN 0.554 nan 8.290 nan 0.000 0.501 369 R N 1.825 122.328 120.500 0.005 0.000 2.618 369 R HA 0.324 4.664 4.340 -0.000 0.000 0.108 369 R C 0.323 176.640 176.300 0.027 0.000 1.220 369 R CA -0.570 55.536 56.100 0.011 0.000 1.020 369 R CB -0.190 30.105 30.300 -0.009 0.000 0.950 369 R HN 0.652 nan 8.270 nan 0.000 0.397 370 E N 1.192 121.412 120.200 0.032 0.000 2.312 370 E HA 0.174 4.524 4.350 -0.000 0.000 0.259 370 E C 0.016 176.675 176.600 0.099 0.000 1.122 370 E CA -0.404 56.034 56.400 0.063 0.000 0.922 370 E CB 0.742 30.484 29.700 0.071 0.000 1.109 370 E HN 0.446 nan 8.360 nan 0.000 0.442 371 S N 0.192 115.945 115.700 0.090 0.000 2.606 371 S HA 0.036 4.506 4.470 -0.000 0.000 0.257 371 S C 1.089 175.683 174.600 -0.009 0.000 1.327 371 S CA -0.429 57.803 58.200 0.053 0.000 0.984 371 S CB 0.260 63.503 63.200 0.072 0.000 0.941 371 S HN 0.519 nan 8.310 nan 0.000 0.576 372 L N 0.710 121.780 121.223 -0.254 0.000 2.450 372 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 372 L C 2.462 179.337 176.870 0.009 0.000 1.149 372 L CA 1.299 55.864 54.840 -0.459 0.000 0.816 372 L CB -0.938 40.242 42.059 -1.465 0.000 0.932 372 L HN 1.013 nan 8.230 nan 0.000 0.449 373 T N -5.402 109.261 114.554 0.182 0.000 3.086 373 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 373 T C 0.804 175.617 174.700 0.188 0.000 1.074 373 T CA -0.190 62.070 62.100 0.267 0.000 0.988 373 T CB 0.148 69.178 68.868 0.270 0.000 0.988 373 T HN 0.086 nan 8.240 nan 0.000 0.530 374 S N 0.768 116.562 115.700 0.157 0.000 2.513 374 S HA 0.395 4.865 4.470 -0.000 0.000 0.276 374 S C 0.742 175.411 174.600 0.115 0.000 1.254 374 S CA -0.804 57.508 58.200 0.187 0.000 1.053 374 S CB 0.711 64.021 63.200 0.184 0.000 0.958 374 S HN 0.438 nan 8.310 nan 0.000 0.491 375 R N 2.958 123.497 120.500 0.066 0.000 2.426 375 R HA 0.272 4.611 4.340 -0.000 0.000 0.263 375 R C -0.223 175.707 176.300 -0.617 0.000 0.961 375 R CA 0.273 56.206 56.100 -0.278 0.000 1.086 375 R CB 0.132 30.197 30.300 -0.392 0.000 1.186 375 R HN 0.633 nan 8.270 nan 0.000 0.537 376 F N -1.767 118.168 119.950 -0.026 0.000 2.171 376 F HA 0.246 4.772 4.527 -0.000 0.000 0.220 376 F C 0.813 176.578 175.800 -0.058 0.000 1.118 376 F CA -0.161 57.816 58.000 -0.039 0.000 1.229 376 F CB 0.197 39.183 39.000 -0.024 0.000 1.616 376 F HN -0.371 nan 8.300 nan 0.000 0.477 377 T N 2.286 116.936 114.554 0.160 0.000 2.963 377 T HA 0.364 4.714 4.350 -0.000 0.000 0.343 377 T C -0.736 173.972 174.700 0.014 0.000 1.146 377 T CA -0.479 61.647 62.100 0.043 0.000 1.016 377 T CB 0.544 69.430 68.868 0.031 0.000 1.046 377 T HN 0.096 nan 8.240 nan 0.000 0.496 378 Q N 1.627 121.412 119.800 -0.025 0.000 2.316 378 Q HA 0.600 4.940 4.340 -0.000 0.000 0.264 378 Q C -0.367 175.566 176.000 -0.113 0.000 0.987 378 Q CA -0.867 54.903 55.803 -0.055 0.000 0.852 378 Q CB 2.166 30.901 28.738 -0.006 0.000 1.287 378 Q HN 0.724 nan 8.270 nan 0.000 0.448 379 A N 3.591 126.281 122.820 -0.217 0.000 2.990 379 A HA 0.280 4.600 4.320 -0.000 0.000 0.282 379 A C -1.095 176.302 177.584 -0.313 0.000 1.688 379 A CA 0.164 52.066 52.037 -0.225 0.000 1.391 379 A CB -0.576 18.314 19.000 -0.183 0.000 1.112 379 A HN 0.489 nan 8.150 nan 0.000 0.588 380 F N 2.111 121.844 119.950 -0.361 0.000 2.562 380 F HA 0.553 5.080 4.527 -0.000 0.000 0.319 380 F C -1.124 174.562 175.800 -0.190 0.000 1.154 380 F CA -1.475 56.357 58.000 -0.280 0.000 0.931 380 F CB 2.078 40.962 39.000 -0.194 0.000 1.198 380 F HN 0.048 nan 8.300 nan 0.000 0.444 381 V N 5.571 125.245 119.914 -0.400 0.000 2.443 381 V HA 0.879 4.999 4.120 -0.000 0.000 0.293 381 V C -0.530 175.208 176.094 -0.595 0.000 1.021 381 V CA -0.485 61.511 62.300 -0.507 0.000 0.848 381 V CB 1.094 32.553 31.823 -0.607 0.000 0.998 381 V HN 1.016 nan 8.190 nan 0.000 0.424 382 A N 5.479 128.057 122.820 -0.403 0.000 2.475 382 A HA 1.019 5.339 4.320 -0.000 0.000 0.301 382 A C -0.632 177.004 177.584 0.087 0.000 1.059 382 A CA -0.917 50.977 52.037 -0.238 0.000 0.710 382 A CB 2.072 20.748 19.000 -0.540 0.000 1.288 382 A HN 0.977 nan 8.150 nan 0.000 0.408 383 R N 0.515 121.003 120.500 -0.021 0.000 2.892 383 R HA 0.784 5.124 4.340 -0.000 0.000 0.265 383 R C -0.690 175.189 176.300 -0.703 0.000 1.025 383 R CA -0.860 55.025 56.100 -0.359 0.000 0.982 383 R CB 0.893 30.846 30.300 -0.579 0.000 1.185 383 R HN 0.600 nan 8.270 nan 0.000 0.484 384 R N 0.629 120.488 120.500 -1.068 0.000 2.543 384 R HA 0.110 4.450 4.340 -0.000 0.000 0.277 384 R C -0.583 175.347 176.300 -0.616 0.000 1.074 384 R CA -0.271 55.139 56.100 -1.150 0.000 1.076 384 R CB 0.372 30.106 30.300 -0.944 0.000 0.993 384 R HN 0.476 nan 8.270 nan 0.000 0.459 385 W N 2.420 123.359 121.300 -0.601 0.000 2.347 385 W HA 0.006 4.666 4.660 -0.000 0.000 0.333 385 W C 0.813 177.080 176.519 -0.419 0.000 1.383 385 W CA 0.156 57.242 57.345 -0.431 0.000 1.283 385 W CB 0.067 29.487 29.460 -0.067 0.000 1.253 385 W HN 0.593 nan 8.180 nan 0.000 0.563 386 Q N 1.473 121.151 119.800 -0.203 0.000 2.113 386 Q HA 0.093 4.433 4.340 -0.000 0.000 0.225 386 Q C -0.651 174.999 176.000 -0.584 0.000 0.786 386 Q CA 0.077 55.655 55.803 -0.375 0.000 0.989 386 Q CB 0.789 29.232 28.738 -0.492 0.000 1.174 386 Q HN 0.535 nan 8.270 nan 0.000 0.470 387 H N -2.312 116.775 119.070 0.027 0.000 2.980 387 H HA 0.233 4.788 4.556 -0.000 0.000 0.367 387 H C -0.396 174.988 175.328 0.093 0.000 1.206 387 H CA -0.711 55.376 56.048 0.066 0.000 1.126 387 H CB 0.892 30.754 29.762 0.165 0.000 1.838 387 H HN -0.120 nan 8.280 nan 0.000 0.552 388 F N -0.269 119.858 119.950 0.295 0.000 2.456 388 F HA 0.019 4.545 4.527 -0.000 0.000 0.298 388 F C 0.671 176.280 175.800 -0.318 0.000 1.104 388 F CA 0.714 58.739 58.000 0.041 0.000 1.435 388 F CB 0.285 39.255 39.000 -0.050 0.000 1.078 388 F HN 0.352 nan 8.300 nan 0.000 0.546 389 H N -0.214 119.022 119.070 0.276 0.000 2.727 389 H HA 0.433 4.989 4.556 -0.000 0.000 0.330 389 H C -0.889 174.446 175.328 0.012 0.000 0.986 389 H CA -0.748 55.322 56.048 0.037 0.000 1.251 389 H CB 1.043 30.823 29.762 0.031 0.000 1.493 389 H HN 0.026 nan 8.280 nan 0.000 0.515 390 F N 0.314 120.165 119.950 -0.165 0.000 2.713 390 F HA 0.548 5.075 4.527 -0.000 0.000 0.311 390 F C -1.876 173.730 175.800 -0.323 0.000 1.141 390 F CA -1.205 56.588 58.000 -0.344 0.000 0.939 390 F CB 1.142 39.794 39.000 -0.578 0.000 1.325 390 F HN 0.229 nan 8.300 nan 0.000 0.453 391 V N 1.699 121.541 119.914 -0.120 0.000 2.555 391 V HA 0.935 5.054 4.120 -0.000 0.000 0.302 391 V C -0.872 175.240 176.094 0.030 0.000 1.038 391 V CA -0.198 62.029 62.300 -0.123 0.000 0.887 391 V CB 1.187 32.902 31.823 -0.180 0.000 0.991 391 V HN 1.458 nan 8.190 nan 0.000 0.434 392 A N 5.161 128.040 122.820 0.099 0.000 2.374 392 A HA 0.926 5.246 4.320 -0.000 0.000 0.317 392 A C -0.697 176.868 177.584 -0.032 0.000 1.094 392 A CA -0.596 51.470 52.037 0.049 0.000 0.765 392 A CB 1.720 20.889 19.000 0.282 0.000 1.268 392 A HN 0.953 nan 8.150 nan 0.000 0.438 393 E N 0.178 120.273 120.200 -0.175 0.000 2.363 393 E HA 0.578 4.928 4.350 -0.000 0.000 0.281 393 E C -1.427 175.179 176.600 0.011 0.000 0.953 393 E CA -0.323 56.100 56.400 0.038 0.000 0.778 393 E CB 2.177 31.960 29.700 0.138 0.000 1.220 393 E HN 0.690 nan 8.360 nan 0.000 0.431 394 T N 1.945 116.586 114.554 0.146 0.000 2.841 394 T HA 0.516 4.866 4.350 -0.000 0.000 0.296 394 T C -1.782 172.861 174.700 -0.095 0.000 1.166 394 T CA -0.678 61.452 62.100 0.050 0.000 1.007 394 T CB 1.495 70.629 68.868 0.444 0.000 1.253 394 T HN 0.360 nan 8.240 nan 0.000 0.511 395 K N 2.486 122.698 120.400 -0.313 0.000 2.613 395 K HA 0.677 4.997 4.320 -0.000 0.000 0.248 395 K C -1.972 174.581 176.600 -0.077 0.000 0.959 395 K CA -0.654 55.377 56.287 -0.428 0.000 0.855 395 K CB 1.690 33.623 32.500 -0.946 0.000 1.143 395 K HN 0.402 nan 8.250 nan 0.000 0.437 396 V N 2.820 122.749 119.914 0.025 0.000 2.656 396 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 396 V C -1.202 174.893 176.094 0.002 0.000 1.051 396 V CA -0.408 61.851 62.300 -0.068 0.000 0.893 396 V CB 2.038 33.583 31.823 -0.464 0.000 0.999 396 V HN 0.816 nan 8.190 nan 0.000 0.426 397 S N 6.710 122.359 115.700 -0.085 0.000 2.442 397 S HA 0.797 5.267 4.470 -0.000 0.000 0.297 397 S C -1.259 173.292 174.600 -0.083 0.000 1.131 397 S CA -0.353 57.710 58.200 -0.229 0.000 1.092 397 S CB 0.697 63.618 63.200 -0.464 0.000 0.998 397 S HN 0.889 nan 8.310 nan 0.000 0.478 398 F N 4.326 124.113 119.950 -0.271 0.000 2.639 398 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 398 F C -1.114 174.568 175.800 -0.197 0.000 1.128 398 F CA -0.682 57.164 58.000 -0.256 0.000 1.037 398 F CB 1.444 40.312 39.000 -0.220 0.000 1.288 398 F HN 0.601 nan 8.300 nan 0.000 0.463 399 R N 5.964 125.951 120.500 -0.855 0.000 2.547 399 R HA 0.323 4.662 4.340 -0.000 0.000 0.280 399 R C -2.919 172.867 176.300 -0.856 0.000 1.630 399 R CA -1.570 54.137 56.100 -0.656 0.000 1.470 399 R CB 1.265 31.320 30.300 -0.408 0.000 1.178 399 R HN 0.309 nan 8.270 nan 0.000 0.591 400 P HA 0.110 nan 4.420 nan 0.000 0.274 400 P C 0.579 177.620 177.300 -0.430 0.000 1.231 400 P CA -0.023 62.680 63.100 -0.661 0.000 0.790 400 P CB 1.101 32.603 31.700 -0.330 0.000 0.951 401 T N -2.903 111.334 114.554 -0.529 0.000 3.040 401 T HA 0.215 4.565 4.350 -0.000 0.000 0.266 401 T C 0.417 174.355 174.700 -1.270 0.000 1.005 401 T CA -0.019 61.574 62.100 -0.844 0.000 0.906 401 T CB -0.187 68.340 68.868 -0.567 0.000 1.082 401 T HN 0.549 nan 8.240 nan 0.000 0.531 402 T N 0.408 114.501 114.554 -0.768 0.000 2.853 402 T HA 0.474 4.824 4.350 -0.000 0.000 0.311 402 T C 0.025 174.678 174.700 -0.078 0.000 1.307 402 T CA -0.842 60.867 62.100 -0.651 0.000 1.019 402 T CB 0.768 69.234 68.868 -0.670 0.000 1.264 402 T HN 0.108 nan 8.240 nan 0.000 0.497 403 F N 1.219 121.355 119.950 0.310 0.000 2.449 403 F HA 0.108 4.635 4.527 -0.000 0.000 0.299 403 F C 1.991 177.892 175.800 0.169 0.000 1.092 403 F CA 0.554 58.721 58.000 0.279 0.000 1.446 403 F CB -0.739 38.409 39.000 0.247 0.000 1.084 403 F HN 0.533 nan 8.300 nan 0.000 0.567 404 Q N 0.337 120.095 119.800 -0.070 0.000 2.482 404 Q HA 0.063 4.403 4.340 -0.000 0.000 0.209 404 Q C -0.025 176.023 176.000 0.079 0.000 0.961 404 Q CA 0.410 56.226 55.803 0.021 0.000 0.945 404 Q CB 0.026 28.692 28.738 -0.120 0.000 1.012 404 Q HN 0.600 nan 8.270 nan 0.000 0.515 405 Q N 0.322 120.192 119.800 0.116 0.000 2.333 405 Q HA 0.372 4.711 4.340 -0.000 0.000 0.267 405 Q C -0.987 175.213 176.000 0.333 0.000 1.012 405 Q CA -0.518 55.409 55.803 0.208 0.000 0.824 405 Q CB 2.254 31.095 28.738 0.172 0.000 1.290 405 Q HN 0.029 nan 8.270 nan 0.000 0.449 406 S N 0.360 116.234 115.700 0.290 0.000 2.549 406 S HA 0.929 5.399 4.470 -0.000 0.000 0.280 406 S C -1.204 173.321 174.600 -0.126 0.000 1.109 406 S CA -0.819 57.511 58.200 0.216 0.000 0.905 406 S CB 2.099 65.372 63.200 0.122 0.000 1.081 406 S HN 0.663 nan 8.310 nan 0.000 0.477 407 A N 0.854 123.493 122.820 -0.301 0.000 2.475 407 A HA 1.057 5.377 4.320 -0.000 0.000 0.301 407 A C 0.109 177.669 177.584 -0.041 0.000 1.059 407 A CA -0.346 51.448 52.037 -0.405 0.000 0.710 407 A CB 1.348 19.648 19.000 -1.168 0.000 1.288 407 A HN 2.103 nan 8.150 nan 0.000 0.408 408 G N -0.712 108.183 108.800 0.158 0.000 2.428 408 G HA2 0.573 4.533 3.960 -0.000 0.000 0.304 408 G HA3 0.573 4.533 3.960 -0.000 0.000 0.304 408 G C -2.158 172.958 174.900 0.359 0.000 1.303 408 G CA -0.438 44.800 45.100 0.231 0.000 0.825 408 G HN 1.538 nan 8.290 nan 0.000 0.484 409 L N 0.776 122.208 121.223 0.348 0.000 2.282 409 L HA 0.789 5.129 4.340 -0.000 0.000 0.288 409 L C -0.474 176.646 176.870 0.418 0.000 1.033 409 L CA -0.655 54.453 54.840 0.447 0.000 0.807 409 L CB 1.448 43.813 42.059 0.510 0.000 1.209 409 L HN 0.430 nan 8.230 nan 0.000 0.423 410 V N 4.607 124.800 119.914 0.466 0.000 2.604 410 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 410 V C -0.467 175.986 176.094 0.599 0.000 1.043 410 V CA -0.886 61.664 62.300 0.416 0.000 0.888 410 V CB 1.894 33.792 31.823 0.125 0.000 0.995 410 V HN 0.750 nan 8.190 nan 0.000 0.429 411 N N 2.787 121.845 118.700 0.597 0.000 2.417 411 N HA 0.459 5.199 4.740 -0.000 0.000 0.274 411 N C -1.651 174.199 175.510 0.566 0.000 0.987 411 N CA -0.280 53.135 53.050 0.609 0.000 0.912 411 N CB 2.387 41.178 38.487 0.506 0.000 1.177 411 N HN 0.823 nan 8.380 nan 0.000 0.490 412 Y N 2.117 122.663 120.300 0.410 0.000 2.373 412 Y HA 0.179 4.729 4.550 -0.000 0.000 0.336 412 Y C -0.513 175.582 175.900 0.325 0.000 0.979 412 Y CA -0.653 57.704 58.100 0.429 0.000 1.080 412 Y CB 1.166 39.971 38.460 0.574 0.000 1.190 412 Y HN 0.529 nan 8.280 nan 0.000 0.446 413 Y N 4.392 124.602 120.300 -0.150 0.000 2.351 413 Y HA 0.221 4.771 4.550 -0.000 0.000 0.291 413 Y C -0.002 175.715 175.900 -0.306 0.000 1.153 413 Y CA 1.091 59.103 58.100 -0.146 0.000 1.193 413 Y CB 0.472 38.833 38.460 -0.165 0.000 1.187 413 Y HN 0.758 nan 8.280 nan 0.000 0.524 414 N N -2.591 115.830 118.700 -0.465 0.000 3.243 414 N HA 0.081 4.821 4.740 -0.000 0.000 0.280 414 N C 0.388 175.663 175.510 -0.392 0.000 1.545 414 N CA 0.185 53.001 53.050 -0.390 0.000 0.854 414 N CB 0.367 38.819 38.487 -0.059 0.000 1.612 414 N HN 0.015 nan 8.380 nan 0.000 0.577 415 T N -2.865 111.693 114.554 0.007 0.000 2.849 415 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 415 T C 0.901 175.767 174.700 0.277 0.000 1.066 415 T CA 1.462 63.700 62.100 0.230 0.000 1.130 415 T CB -0.367 68.603 68.868 0.171 0.000 0.864 415 T HN 0.604 nan 8.240 nan 0.000 0.481 416 Q N 0.604 120.416 119.800 0.019 0.000 2.247 416 Q HA 0.265 4.604 4.340 -0.000 0.000 0.211 416 Q C -0.341 175.438 176.000 -0.368 0.000 0.861 416 Q CA -0.104 55.617 55.803 -0.138 0.000 0.949 416 Q CB 0.523 29.176 28.738 -0.142 0.000 1.115 416 Q HN 0.509 nan 8.270 nan 0.000 0.507 417 N N 1.086 119.578 118.700 -0.347 0.000 2.558 417 N HA 0.222 4.962 4.740 -0.000 0.000 0.285 417 N C -1.533 173.864 175.510 -0.187 0.000 1.112 417 N CA -0.176 52.669 53.050 -0.342 0.000 0.857 417 N CB 1.504 39.851 38.487 -0.234 0.000 1.376 417 N HN 0.167 nan 8.380 nan 0.000 0.526 418 W N 0.174 121.433 121.300 -0.069 0.000 3.064 418 W HA 0.412 5.071 4.660 -0.000 0.000 0.328 418 W C -1.254 175.310 176.519 0.075 0.000 1.210 418 W CA -0.872 56.476 57.345 0.004 0.000 1.178 418 W CB 0.511 29.972 29.460 0.001 0.000 1.416 418 W HN 0.240 nan 8.180 nan 0.000 0.568 419 T N -0.780 114.111 114.554 0.563 0.000 2.901 419 T HA 0.751 5.101 4.350 -0.000 0.000 0.293 419 T C -1.157 173.795 174.700 0.420 0.000 1.084 419 T CA -0.611 61.751 62.100 0.436 0.000 1.008 419 T CB 2.519 71.511 68.868 0.208 0.000 1.170 419 T HN 0.765 nan 8.240 nan 0.000 0.509 420 T N 0.888 115.540 114.554 0.164 0.000 3.012 420 T HA 0.517 4.867 4.350 -0.000 0.000 0.330 420 T C -2.141 172.360 174.700 -0.332 0.000 1.321 420 T CA -0.694 61.401 62.100 -0.008 0.000 1.067 420 T CB 1.489 70.362 68.868 0.008 0.000 1.235 420 T HN 0.836 nan 8.240 nan 0.000 0.479 421 L N 5.639 126.595 121.223 -0.445 0.000 2.265 421 L HA 0.722 5.062 4.340 -0.000 0.000 0.289 421 L C -0.443 176.423 176.870 -0.006 0.000 1.033 421 L CA 0.193 54.862 54.840 -0.284 0.000 0.814 421 L CB 0.772 42.688 42.059 -0.239 0.000 1.203 421 L HN 0.816 nan 8.230 nan 0.000 0.423 422 Q N 4.293 124.107 119.800 0.023 0.000 2.377 422 Q HA 0.602 4.942 4.340 -0.000 0.000 0.279 422 Q C -1.456 174.608 176.000 0.107 0.000 1.049 422 Q CA -0.895 54.953 55.803 0.075 0.000 0.825 422 Q CB 1.857 30.626 28.738 0.051 0.000 1.401 422 Q HN 0.597 nan 8.270 nan 0.000 0.404 423 I N 1.946 122.610 120.570 0.157 0.000 2.342 423 I HA 0.430 4.599 4.170 -0.000 0.000 0.291 423 I C 0.133 176.435 176.117 0.307 0.000 1.010 423 I CA -0.051 61.383 61.300 0.225 0.000 1.308 423 I CB 1.622 39.811 38.000 0.314 0.000 1.400 423 I HN 0.826 nan 8.210 nan 0.000 0.488 424 T N 4.397 119.100 114.554 0.249 0.000 2.590 424 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 424 T C -2.185 172.690 174.700 0.291 0.000 0.989 424 T CA -0.534 61.745 62.100 0.298 0.000 1.091 424 T CB 1.143 70.178 68.868 0.279 0.000 1.460 424 T HN 0.545 nan 8.240 nan 0.000 0.499 425 W N 1.554 122.922 121.300 0.114 0.000 2.819 425 W HA 0.660 5.320 4.660 -0.000 0.000 0.337 425 W C -1.337 175.298 176.519 0.194 0.000 1.077 425 W CA -0.559 56.840 57.345 0.090 0.000 1.226 425 W CB 1.084 30.543 29.460 -0.002 0.000 1.419 425 W HN 0.685 nan 8.180 nan 0.000 0.502 426 H N 4.001 122.647 119.070 -0.706 0.000 2.589 426 H HA 0.190 4.746 4.556 -0.000 0.000 0.351 426 H C 0.515 175.070 175.328 -1.288 0.000 1.074 426 H CA -0.239 55.402 56.048 -0.678 0.000 1.203 426 H CB 2.118 31.670 29.762 -0.349 0.000 1.558 426 H HN 0.642 nan 8.280 nan 0.000 0.522 427 E N 2.755 122.105 120.200 -1.416 0.000 2.114 427 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 427 E C 1.073 177.332 176.600 -0.567 0.000 1.008 427 E CA 2.369 58.231 56.400 -0.896 0.000 0.810 427 E CB 0.308 29.767 29.700 -0.403 0.000 0.739 427 E HN 0.727 nan 8.360 nan 0.000 0.456 428 E N -0.724 119.213 120.200 -0.438 0.000 2.244 428 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 428 E C 1.497 178.077 176.600 -0.034 0.000 0.939 428 E CA 0.318 56.656 56.400 -0.103 0.000 0.884 428 E CB 0.290 30.005 29.700 0.025 0.000 0.850 428 E HN 0.054 nan 8.360 nan 0.000 0.481 429 K N 0.495 120.952 120.400 0.095 0.000 2.361 429 K HA 0.197 4.516 4.320 -0.000 0.000 0.196 429 K C 0.996 177.517 176.600 -0.132 0.000 1.039 429 K CA 0.510 56.777 56.287 -0.033 0.000 1.001 429 K CB 0.593 33.038 32.500 -0.093 0.000 0.795 429 K HN 0.174 nan 8.250 nan 0.000 0.495 430 G N 2.540 111.155 108.800 -0.309 0.000 2.525 430 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.248 430 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.248 430 G C -0.608 174.121 174.900 -0.285 0.000 1.238 430 G CA -0.079 44.788 45.100 -0.387 0.000 0.926 430 G HN 0.383 nan 8.290 nan 0.000 0.574 431 R N 0.730 121.196 120.500 -0.057 0.000 2.486 431 R HA 0.315 4.655 4.340 -0.000 0.000 0.303 431 R C 0.742 177.029 176.300 -0.022 0.000 0.958 431 R CA 1.059 57.169 56.100 0.016 0.000 1.077 431 R CB -0.673 29.630 30.300 0.003 0.000 0.921 431 R HN 0.843 nan 8.270 nan 0.000 0.406 432 I N 1.357 121.935 120.570 0.014 0.000 2.934 432 I HA 0.461 4.631 4.170 -0.000 0.000 0.306 432 I C -1.460 174.676 176.117 0.032 0.000 1.110 432 I CA -1.568 59.731 61.300 -0.001 0.000 1.019 432 I CB 1.729 39.709 38.000 -0.034 0.000 1.227 432 I HN 0.350 nan 8.210 nan 0.000 0.434 433 L N 3.984 125.204 121.223 -0.006 0.000 2.282 433 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 433 L C -0.259 176.596 176.870 -0.025 0.000 1.033 433 L CA 0.408 55.238 54.840 -0.016 0.000 0.807 433 L CB 1.014 43.007 42.059 -0.109 0.000 1.209 433 L HN 0.937 nan 8.230 nan 0.000 0.423 434 E N 4.345 124.554 120.200 0.014 0.000 2.423 434 E HA 0.636 4.986 4.350 -0.000 0.000 0.269 434 E C -1.542 175.073 176.600 0.025 0.000 0.948 434 E CA -1.031 55.383 56.400 0.023 0.000 0.802 434 E CB 1.625 31.351 29.700 0.043 0.000 1.339 434 E HN 0.486 nan 8.360 nan 0.000 0.445 435 L N 1.043 122.297 121.223 0.052 0.000 2.334 435 L HA 0.616 4.955 4.340 -0.000 0.000 0.276 435 L C -0.308 176.627 176.870 0.109 0.000 1.014 435 L CA -0.812 54.063 54.840 0.059 0.000 0.815 435 L CB 1.777 43.940 42.059 0.173 0.000 1.268 435 L HN 0.617 nan 8.230 nan 0.000 0.428 436 M N 2.284 121.961 119.600 0.128 0.000 2.484 436 M HA 0.587 5.067 4.480 -0.000 0.000 0.289 436 M C -1.130 175.323 176.300 0.256 0.000 1.206 436 M CA -0.220 55.206 55.300 0.210 0.000 0.892 436 M CB 2.648 35.413 32.600 0.276 0.000 1.712 436 M HN 0.696 nan 8.290 nan 0.000 0.462 437 T N 0.179 114.818 114.554 0.142 0.000 2.903 437 T HA 0.711 5.060 4.350 -0.000 0.000 0.299 437 T C -1.566 172.899 174.700 -0.392 0.000 1.093 437 T CA -0.756 61.334 62.100 -0.017 0.000 1.002 437 T CB 1.635 70.565 68.868 0.103 0.000 1.127 437 T HN 0.878 nan 8.240 nan 0.000 0.488 438 C N 2.810 121.659 119.300 -0.753 0.000 2.516 438 C HA 0.755 5.215 4.460 -0.000 0.000 0.338 438 C C -1.725 172.925 174.990 -0.566 0.000 1.132 438 C CA -0.399 58.068 59.018 -0.918 0.000 1.310 438 C CB 0.378 26.923 27.740 -1.992 0.000 1.898 438 C HN 1.056 nan 8.230 nan 0.000 0.452 439 D N 3.270 123.502 120.400 -0.280 0.000 2.620 439 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 439 D C 0.203 176.502 176.300 -0.002 0.000 1.207 439 D CA -0.053 53.897 54.000 -0.084 0.000 0.884 439 D CB 0.481 41.321 40.800 0.066 0.000 1.262 439 D HN 0.804 nan 8.370 nan 0.000 0.552 440 H N 2.827 121.815 119.070 -0.136 0.000 2.731 440 H HA -0.230 4.326 4.556 -0.000 0.000 0.305 440 H C 1.236 176.504 175.328 -0.101 0.000 1.132 440 H CA 0.904 56.879 56.048 -0.121 0.000 1.148 440 H CB -0.995 28.690 29.762 -0.128 0.000 1.379 440 H HN 0.419 nan 8.280 nan 0.000 0.398 441 L N -3.344 117.821 121.223 -0.097 0.000 4.383 441 L HA -0.213 4.127 4.340 -0.000 0.000 0.402 441 L C -0.238 176.590 176.870 -0.070 0.000 0.803 441 L CA 1.171 55.965 54.840 -0.078 0.000 2.175 441 L CB -0.877 41.176 42.059 -0.009 0.000 1.434 441 L HN 0.134 nan 8.230 nan 0.000 0.591 442 V N 1.443 121.319 119.914 -0.063 0.000 2.470 442 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 442 V C 0.726 176.758 176.094 -0.103 0.000 1.040 442 V CA -0.012 62.256 62.300 -0.053 0.000 1.008 442 V CB 1.056 32.867 31.823 -0.020 0.000 0.990 442 V HN 0.079 nan 8.190 nan 0.000 0.477 443 V N 4.441 124.312 119.914 -0.073 0.000 2.481 443 V HA 0.470 4.590 4.120 -0.000 0.000 0.286 443 V C -0.179 175.900 176.094 -0.025 0.000 1.042 443 V CA -0.384 61.869 62.300 -0.079 0.000 0.928 443 V CB 1.849 33.664 31.823 -0.012 0.000 0.986 443 V HN 0.966 nan 8.190 nan 0.000 0.462 444 D N 2.550 122.942 120.400 -0.013 0.000 2.433 444 D HA 0.479 5.119 4.640 -0.000 0.000 0.236 444 D C -0.795 175.541 176.300 0.061 0.000 1.026 444 D CA -0.531 53.484 54.000 0.025 0.000 0.884 444 D CB 2.192 43.008 40.800 0.028 0.000 1.384 444 D HN 0.532 nan 8.370 nan 0.000 0.477 445 Q N 2.307 122.143 119.800 0.060 0.000 2.674 445 Q HA 0.297 4.637 4.340 -0.000 0.000 0.249 445 Q C -1.915 174.121 176.000 0.061 0.000 1.011 445 Q CA -1.561 54.286 55.803 0.073 0.000 0.734 445 Q CB 2.115 30.889 28.738 0.061 0.000 1.201 445 Q HN 0.253 nan 8.270 nan 0.000 0.498 446 P HA -0.072 nan 4.420 nan 0.000 0.242 446 P C 0.225 177.548 177.300 0.037 0.000 1.197 446 P CA 0.529 63.658 63.100 0.049 0.000 0.765 446 P CB 0.372 32.103 31.700 0.051 0.000 0.936 447 L N -1.197 120.054 121.223 0.047 0.000 2.910 447 L HA 0.247 4.587 4.340 -0.000 0.000 0.252 447 L C 0.855 177.727 176.870 0.003 0.000 1.195 447 L CA -0.657 54.200 54.840 0.028 0.000 1.003 447 L CB -0.844 41.239 42.059 0.040 0.000 1.328 447 L HN -0.153 nan 8.230 nan 0.000 0.540 448 R N 0.596 121.098 120.500 0.004 0.000 2.584 448 R HA 0.049 4.388 4.340 -0.000 0.000 0.315 448 R C 1.306 177.588 176.300 -0.030 0.000 0.863 448 R CA 1.285 57.378 56.100 -0.011 0.000 1.139 448 R CB -0.094 30.205 30.300 -0.001 0.000 0.880 448 R HN 0.538 nan 8.270 nan 0.000 0.413 449 G N 3.935 112.698 108.800 -0.062 0.000 2.184 449 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 449 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 449 G C 0.362 175.221 174.900 -0.069 0.000 0.975 449 G CA 0.744 45.800 45.100 -0.073 0.000 0.642 449 G HN 0.737 nan 8.290 nan 0.000 0.536 450 R N -0.186 120.281 120.500 -0.055 0.000 2.668 450 R HA 0.508 4.848 4.340 -0.000 0.000 0.435 450 R C -0.373 175.906 176.300 -0.035 0.000 1.059 450 R CA -0.498 55.580 56.100 -0.037 0.000 1.073 450 R CB 0.298 30.592 30.300 -0.010 0.000 1.401 450 R HN 0.278 nan 8.270 nan 0.000 0.590 451 E N 1.116 121.274 120.200 -0.071 0.000 2.415 451 E HA 0.078 4.428 4.350 -0.000 0.000 0.262 451 E C -0.349 176.217 176.600 -0.057 0.000 1.038 451 E CA -0.147 56.213 56.400 -0.066 0.000 0.921 451 E CB 0.590 30.230 29.700 -0.099 0.000 0.950 451 E HN 0.152 nan 8.360 nan 0.000 0.438 452 I N 2.533 123.068 120.570 -0.058 0.000 2.452 452 I HA -0.016 4.154 4.170 -0.000 0.000 0.287 452 I C -0.463 175.643 176.117 -0.017 0.000 1.079 452 I CA 0.052 61.324 61.300 -0.047 0.000 1.387 452 I CB 0.475 38.346 38.000 -0.215 0.000 1.404 452 I HN 0.230 nan 8.210 nan 0.000 0.522 453 V N 7.768 127.692 119.914 0.017 0.000 2.479 453 V HA 0.084 4.203 4.120 -0.000 0.000 0.281 453 V C 0.287 176.390 176.094 0.015 0.000 1.031 453 V CA -0.509 61.791 62.300 -0.001 0.000 1.038 453 V CB 0.810 32.630 31.823 -0.005 0.000 0.981 453 V HN 0.371 nan 8.190 nan 0.000 0.478 454 V N 8.216 128.091 119.914 -0.065 0.000 2.385 454 V HA 0.240 4.359 4.120 -0.000 0.000 0.269 454 V C -1.977 173.959 176.094 -0.263 0.000 1.043 454 V CA -1.750 60.407 62.300 -0.239 0.000 0.906 454 V CB 0.993 32.712 31.823 -0.172 0.000 0.995 454 V HN 0.784 nan 8.190 nan 0.000 0.467 455 P HA -0.024 nan 4.420 nan 0.000 0.262 455 P C 0.832 178.014 177.300 -0.195 0.000 1.182 455 P CA 0.227 63.189 63.100 -0.230 0.000 0.761 455 P CB 0.505 32.059 31.700 -0.242 0.000 0.795 456 D N 2.574 122.903 120.400 -0.119 0.000 2.265 456 D HA -0.198 4.441 4.640 -0.000 0.000 0.208 456 D C 1.060 177.303 176.300 -0.095 0.000 0.977 456 D CA 1.102 55.044 54.000 -0.095 0.000 0.871 456 D CB 0.061 40.825 40.800 -0.061 0.000 0.925 456 D HN 0.523 nan 8.370 nan 0.000 0.485 457 D N -0.207 120.139 120.400 -0.089 0.000 2.317 457 D HA -0.130 4.510 4.640 -0.000 0.000 0.211 457 D C 0.832 177.090 176.300 -0.069 0.000 0.966 457 D CA -0.014 53.947 54.000 -0.065 0.000 0.876 457 D CB 0.109 40.885 40.800 -0.041 0.000 0.927 457 D HN 0.127 nan 8.370 nan 0.000 0.519 458 I N 2.018 122.516 120.570 -0.120 0.000 2.416 458 I HA 0.046 4.215 4.170 -0.000 0.000 0.288 458 I C 1.498 177.561 176.117 -0.089 0.000 1.051 458 I CA 0.036 61.275 61.300 -0.102 0.000 1.375 458 I CB 1.348 39.192 38.000 -0.261 0.000 1.407 458 I HN 0.092 nan 8.210 nan 0.000 0.516 459 E N 5.327 125.501 120.200 -0.043 0.000 2.127 459 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 459 E C -0.454 175.960 176.600 -0.310 0.000 0.964 459 E CA 0.651 56.938 56.400 -0.189 0.000 0.832 459 E CB 0.408 29.980 29.700 -0.214 0.000 0.790 459 E HN 0.515 nan 8.360 nan 0.000 0.465 460 Y N 0.089 120.414 120.300 0.043 0.000 2.377 460 Y HA 0.339 4.889 4.550 -0.000 0.000 0.339 460 Y C -0.374 175.582 175.900 0.094 0.000 1.011 460 Y CA -0.903 57.192 58.100 -0.008 0.000 1.093 460 Y CB 1.937 40.313 38.460 -0.139 0.000 1.201 460 Y HN -0.270 nan 8.280 nan 0.000 0.455 461 V N 4.098 124.151 119.914 0.232 0.000 2.398 461 V HA 0.296 4.416 4.120 -0.000 0.000 0.286 461 V C -0.901 175.330 176.094 0.228 0.000 1.026 461 V CA -1.266 61.248 62.300 0.356 0.000 0.868 461 V CB 0.574 32.586 31.823 0.314 0.000 0.982 461 V HN 0.596 nan 8.190 nan 0.000 0.443 462 Y N 5.083 125.500 120.300 0.194 0.000 2.326 462 Y HA 0.654 5.203 4.550 -0.000 0.000 0.337 462 Y C 0.102 176.193 175.900 0.319 0.000 1.023 462 Y CA -0.629 57.575 58.100 0.173 0.000 1.143 462 Y CB 1.247 39.645 38.460 -0.102 0.000 1.183 462 Y HN 0.421 nan 8.280 nan 0.000 0.485 463 L N 4.920 126.478 121.223 0.559 0.000 2.362 463 L HA 0.671 5.010 4.340 -0.000 0.000 0.275 463 L C -0.440 176.777 176.870 0.579 0.000 0.998 463 L CA -0.864 54.319 54.840 0.571 0.000 0.820 463 L CB 2.167 44.488 42.059 0.438 0.000 1.270 463 L HN 0.583 nan 8.230 nan 0.000 0.415 464 R N 2.201 123.043 120.500 0.570 0.000 2.686 464 R HA 0.785 5.125 4.340 -0.000 0.000 0.283 464 R C -2.073 174.385 176.300 0.263 0.000 0.978 464 R CA -0.552 55.729 56.100 0.302 0.000 0.897 464 R CB 2.870 33.164 30.300 -0.011 0.000 1.192 464 R HN 0.439 nan 8.270 nan 0.000 0.457 465 V N 2.923 122.895 119.914 0.096 0.000 2.604 465 V HA 0.550 4.670 4.120 -0.000 0.000 0.305 465 V C -1.154 174.828 176.094 -0.187 0.000 1.043 465 V CA -0.245 61.994 62.300 -0.102 0.000 0.888 465 V CB 2.375 34.060 31.823 -0.229 0.000 0.995 465 V HN 0.908 nan 8.190 nan 0.000 0.429 466 T N 5.831 120.259 114.554 -0.209 0.000 2.833 466 T HA 0.500 4.849 4.350 -0.000 0.000 0.297 466 T C -0.628 173.880 174.700 -0.321 0.000 1.015 466 T CA -0.302 61.635 62.100 -0.271 0.000 0.963 466 T CB 1.286 70.055 68.868 -0.164 0.000 0.955 466 T HN 0.443 nan 8.240 nan 0.000 0.449 467 V N 4.652 124.180 119.914 -0.643 0.000 2.394 467 V HA 0.374 4.494 4.120 -0.000 0.000 0.282 467 V C -0.101 175.760 176.094 -0.389 0.000 1.031 467 V CA -0.651 61.263 62.300 -0.643 0.000 0.881 467 V CB 1.465 32.404 31.823 -1.473 0.000 0.982 467 V HN 0.751 nan 8.190 nan 0.000 0.451 468 Q N 3.909 123.618 119.800 -0.152 0.000 2.700 468 Q HA 0.574 4.914 4.340 -0.000 0.000 0.249 468 Q C 0.727 176.672 176.000 -0.091 0.000 1.033 468 Q CA 0.330 56.104 55.803 -0.047 0.000 0.804 468 Q CB 1.374 30.160 28.738 0.080 0.000 1.164 468 Q HN 1.004 nan 8.270 nan 0.000 0.500 469 A N 1.721 124.369 122.820 -0.288 0.000 5.093 469 A HA -0.405 3.915 4.320 -0.000 0.000 0.329 469 A C 1.705 179.354 177.584 0.107 0.000 1.836 469 A CA 2.812 54.790 52.037 -0.098 0.000 0.707 469 A CB -2.136 16.778 19.000 -0.143 0.000 1.389 469 A HN 0.721 nan 8.150 nan 0.000 0.383 470 T N -1.752 112.856 114.554 0.090 0.000 2.995 470 T HA 0.336 4.686 4.350 -0.000 0.000 0.269 470 T C 0.909 175.714 174.700 0.175 0.000 1.091 470 T CA 2.315 64.501 62.100 0.143 0.000 1.128 470 T CB -0.960 67.962 68.868 0.089 0.000 0.891 470 T HN 2.364 nan 8.240 nan 0.000 0.492 471 T N -0.500 114.140 114.554 0.143 0.000 2.901 471 T HA 0.672 5.022 4.350 -0.000 0.000 0.293 471 T C -1.178 173.633 174.700 0.184 0.000 1.084 471 T CA -1.138 61.040 62.100 0.130 0.000 1.008 471 T CB 2.123 71.013 68.868 0.036 0.000 1.170 471 T HN 0.564 nan 8.240 nan 0.000 0.509 472 Y N -1.253 119.084 120.300 0.063 0.000 2.655 472 Y HA 0.882 5.432 4.550 -0.000 0.000 0.336 472 Y C -1.150 174.810 175.900 0.099 0.000 1.154 472 Y CA -1.332 56.754 58.100 -0.024 0.000 1.055 472 Y CB 1.685 40.058 38.460 -0.145 0.000 1.295 472 Y HN 0.954 nan 8.280 nan 0.000 0.465 473 K N 1.079 121.569 120.400 0.150 0.000 2.525 473 K HA 0.500 4.820 4.320 -0.000 0.000 0.254 473 K C -2.297 174.403 176.600 0.167 0.000 0.934 473 K CA -0.563 55.837 56.287 0.188 0.000 0.802 473 K CB 1.610 34.173 32.500 0.105 0.000 1.295 473 K HN 0.697 nan 8.250 nan 0.000 0.433 474 Y N 0.947 121.461 120.300 0.356 0.000 2.335 474 Y HA 0.481 5.031 4.550 -0.000 0.000 0.323 474 Y C 0.468 176.544 175.900 0.293 0.000 1.224 474 Y CA 0.181 58.472 58.100 0.319 0.000 1.241 474 Y CB 1.981 40.648 38.460 0.345 0.000 1.235 474 Y HN 0.688 nan 8.280 nan 0.000 0.492 475 S N 1.232 117.230 115.700 0.497 0.000 2.638 475 S HA 0.793 5.262 4.470 -0.000 0.000 0.274 475 S C -1.659 173.330 174.600 0.648 0.000 1.157 475 S CA -0.936 57.545 58.200 0.469 0.000 0.826 475 S CB 2.100 65.495 63.200 0.324 0.000 1.139 475 S HN 0.690 nan 8.310 nan 0.000 0.474 476 Y N -1.503 119.045 120.300 0.414 0.000 2.625 476 Y HA 0.877 5.427 4.550 -0.000 0.000 0.338 476 Y C -0.809 174.936 175.900 -0.258 0.000 1.123 476 Y CA -0.713 57.501 58.100 0.191 0.000 1.046 476 Y CB 1.281 39.786 38.460 0.075 0.000 1.299 476 Y HN 1.030 nan 8.280 nan 0.000 0.464 477 S N 0.769 116.144 115.700 -0.542 0.000 2.550 477 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 477 S C -1.332 173.095 174.600 -0.288 0.000 1.145 477 S CA -0.607 57.045 58.200 -0.913 0.000 0.852 477 S CB 0.755 62.839 63.200 -1.860 0.000 1.119 477 S HN 0.610 nan 8.310 nan 0.000 0.465 478 F N 1.706 121.595 119.950 -0.101 0.000 2.731 478 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 478 F C 1.593 177.435 175.800 0.069 0.000 1.106 478 F CA 0.043 58.108 58.000 0.108 0.000 1.329 478 F CB 0.219 39.283 39.000 0.107 0.000 1.100 478 F HN 0.706 nan 8.300 nan 0.000 0.592 479 D N -2.500 117.827 120.400 -0.122 0.000 2.514 479 D HA 0.220 4.860 4.640 -0.000 0.000 0.225 479 D C 1.727 177.707 176.300 -0.532 0.000 1.159 479 D CA 0.778 54.690 54.000 -0.147 0.000 0.823 479 D CB 0.037 40.803 40.800 -0.056 0.000 1.097 479 D HN 0.159 nan 8.370 nan 0.000 0.519 480 G N 0.735 108.799 108.800 -1.226 0.000 2.159 480 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 480 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 480 G C 0.895 175.593 174.900 -0.336 0.000 0.977 480 G CA 0.933 45.294 45.100 -1.231 0.000 0.652 480 G HN 0.310 nan 8.290 nan 0.000 0.531 481 M N -0.979 118.437 119.600 -0.306 0.000 2.777 481 M HA 0.270 4.750 4.480 -0.000 0.000 0.244 481 M C 0.270 176.569 176.300 -0.002 0.000 1.457 481 M CA 0.528 55.804 55.300 -0.041 0.000 1.174 481 M CB -0.357 32.218 32.600 -0.041 0.000 1.321 481 M HN 0.087 nan 8.290 nan 0.000 0.546 482 N N 0.531 119.099 118.700 -0.220 0.000 2.444 482 N HA 0.314 5.054 4.740 -0.000 0.000 0.262 482 N C -1.750 173.536 175.510 -0.374 0.000 0.974 482 N CA -0.011 52.940 53.050 -0.165 0.000 0.933 482 N CB 1.013 39.409 38.487 -0.152 0.000 1.137 482 N HN 0.137 nan 8.380 nan 0.000 0.498 483 W N 2.357 123.536 121.300 -0.201 0.000 2.587 483 W HA 0.553 5.213 4.660 -0.000 0.000 0.324 483 W C 0.129 176.473 176.519 -0.292 0.000 1.040 483 W CA -0.505 56.690 57.345 -0.250 0.000 1.222 483 W CB 1.148 30.525 29.460 -0.140 0.000 1.381 483 W HN 0.203 nan 8.180 nan 0.000 0.483 484 I N 3.693 124.072 120.570 -0.318 0.000 2.339 484 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 484 I C -0.365 175.703 176.117 -0.081 0.000 0.994 484 I CA -0.917 60.203 61.300 -0.302 0.000 1.191 484 I CB 1.039 38.708 38.000 -0.551 0.000 1.343 484 I HN 0.220 nan 8.210 nan 0.000 0.458 485 D N 6.534 126.961 120.400 0.045 0.000 2.389 485 D HA 0.302 4.942 4.640 -0.000 0.000 0.247 485 D C -0.235 176.172 176.300 0.178 0.000 1.128 485 D CA 0.038 54.119 54.000 0.135 0.000 0.884 485 D CB 0.995 41.853 40.800 0.097 0.000 1.194 485 D HN 0.247 nan 8.370 nan 0.000 0.441 486 L N 4.734 126.120 121.223 0.271 0.000 2.319 486 L HA 0.240 4.579 4.340 -0.000 0.000 0.280 486 L C -1.539 175.436 176.870 0.175 0.000 1.099 486 L CA -1.405 53.592 54.840 0.262 0.000 0.828 486 L CB 0.636 42.894 42.059 0.332 0.000 1.150 486 L HN 0.274 nan 8.230 nan 0.000 0.442 487 P HA 0.047 nan 4.420 nan 0.000 0.238 487 P C -0.778 176.510 177.300 -0.020 0.000 1.714 487 P CA 0.239 63.364 63.100 0.041 0.000 0.908 487 P CB -0.136 31.582 31.700 0.030 0.000 1.893 488 V N 0.067 119.956 119.914 -0.041 0.000 2.623 488 V HA 0.296 4.416 4.120 -0.000 0.000 0.304 488 V C 0.180 176.029 176.094 -0.408 0.000 1.054 488 V CA -0.333 61.801 62.300 -0.275 0.000 0.882 488 V CB 2.311 33.909 31.823 -0.376 0.000 1.002 488 V HN -0.004 nan 8.190 nan 0.000 0.424 489 T N 5.636 119.919 114.554 -0.453 0.000 2.770 489 T HA 0.625 4.975 4.350 -0.000 0.000 0.297 489 T C -0.448 173.942 174.700 -0.517 0.000 0.997 489 T CA 0.004 61.900 62.100 -0.340 0.000 0.949 489 T CB 0.086 68.850 68.868 -0.173 0.000 0.941 489 T HN 0.289 nan 8.240 nan 0.000 0.457 490 F N 1.637 121.382 119.950 -0.342 0.000 2.378 490 F HA 0.420 4.947 4.527 -0.000 0.000 0.325 490 F C 1.131 176.645 175.800 -0.476 0.000 1.097 490 F CA -1.027 56.651 58.000 -0.537 0.000 1.079 490 F CB 0.951 39.304 39.000 -1.079 0.000 1.240 490 F HN 0.404 nan 8.300 nan 0.000 0.519 491 E N 0.233 120.372 120.200 -0.101 0.000 2.129 491 E HA 0.228 4.578 4.350 -0.000 0.000 0.268 491 E C 0.013 176.678 176.600 0.107 0.000 0.900 491 E CA -0.308 56.093 56.400 0.001 0.000 0.755 491 E CB 1.582 31.252 29.700 -0.051 0.000 1.117 491 E HN 0.561 nan 8.360 nan 0.000 0.410 492 S N 1.714 117.622 115.700 0.347 0.000 2.419 492 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 492 S C 1.728 176.430 174.600 0.169 0.000 1.016 492 S CA 1.166 59.640 58.200 0.457 0.000 0.974 492 S CB -0.354 63.188 63.200 0.570 0.000 0.786 492 S HN 0.692 nan 8.310 nan 0.000 0.492 493 Y N 1.698 121.986 120.300 -0.021 0.000 2.403 493 Y HA 0.107 4.657 4.550 -0.000 0.000 0.291 493 Y C 1.540 177.215 175.900 -0.376 0.000 1.143 493 Y CA 0.776 58.755 58.100 -0.202 0.000 1.257 493 Y CB -0.488 37.643 38.460 -0.548 0.000 0.984 493 Y HN 0.038 nan 8.280 nan 0.000 0.550 494 K N 0.830 120.621 120.400 -1.016 0.000 2.486 494 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 494 K C 0.466 176.858 176.600 -0.347 0.000 1.033 494 K CA 0.511 56.144 56.287 -1.091 0.000 1.004 494 K CB 0.006 31.910 32.500 -0.994 0.000 0.798 494 K HN 0.420 nan 8.250 nan 0.000 0.495 495 L N 1.294 122.396 121.223 -0.202 0.000 3.094 495 L HA 0.147 4.486 4.340 -0.000 0.000 0.254 495 L C -0.050 176.748 176.870 -0.120 0.000 1.298 495 L CA -0.499 54.263 54.840 -0.131 0.000 1.050 495 L CB 0.278 42.231 42.059 -0.176 0.000 1.420 495 L HN -0.000 nan 8.230 nan 0.000 0.548 496 S N -3.826 111.782 115.700 -0.154 0.000 2.566 496 S HA 0.364 4.834 4.470 -0.000 0.000 0.298 496 S C 0.397 174.859 174.600 -0.229 0.000 1.083 496 S CA -0.782 57.403 58.200 -0.026 0.000 0.978 496 S CB 2.329 65.683 63.200 0.257 0.000 1.073 496 S HN 0.051 nan 8.310 nan 0.000 0.491 497 D N 1.712 122.068 120.400 -0.073 0.000 2.133 497 D HA -0.154 4.486 4.640 -0.000 0.000 0.192 497 D C 1.025 177.300 176.300 -0.042 0.000 1.001 497 D CA 2.188 56.134 54.000 -0.090 0.000 0.844 497 D CB -0.520 40.298 40.800 0.031 0.000 0.944 497 D HN 0.807 nan 8.370 nan 0.000 0.447 498 D N -1.309 119.172 120.400 0.135 0.000 2.269 498 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 498 D C 1.595 178.117 176.300 0.369 0.000 0.963 498 D CA 0.389 54.516 54.000 0.212 0.000 0.864 498 D CB -0.157 40.755 40.800 0.187 0.000 0.936 498 D HN 0.253 nan 8.370 nan 0.000 0.505 499 Y N 1.070 121.553 120.300 0.305 0.000 2.457 499 Y HA 0.085 4.634 4.550 -0.000 0.000 0.292 499 Y C 0.311 176.312 175.900 0.168 0.000 1.125 499 Y CA 0.102 58.391 58.100 0.314 0.000 1.254 499 Y CB 0.180 38.739 38.460 0.166 0.000 1.012 499 Y HN -0.186 nan 8.280 nan 0.000 0.555 500 I N 1.969 122.523 120.570 -0.027 0.000 2.533 500 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 500 I C 1.244 177.359 176.117 -0.004 0.000 1.109 500 I CA 0.193 61.438 61.300 -0.092 0.000 1.412 500 I CB 1.270 39.120 38.000 -0.250 0.000 1.396 500 I HN 0.085 nan 8.210 nan 0.000 0.543 501 K N 3.483 123.988 120.400 0.176 0.000 2.097 501 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 501 K C 2.027 178.625 176.600 -0.004 0.000 1.050 501 K CA 1.431 57.712 56.287 -0.010 0.000 0.938 501 K CB -0.008 32.393 32.500 -0.165 0.000 0.718 501 K HN 0.773 nan 8.250 nan 0.000 0.442 502 S N 0.243 115.948 115.700 0.008 0.000 2.442 502 S HA -0.153 4.317 4.470 -0.000 0.000 0.236 502 S C 0.893 175.469 174.600 -0.041 0.000 1.007 502 S CA 1.008 59.202 58.200 -0.010 0.000 0.965 502 S CB -0.326 62.864 63.200 -0.016 0.000 0.773 502 S HN 0.337 nan 8.310 nan 0.000 0.504 503 R N -0.249 120.195 120.500 -0.093 0.000 3.995 503 R HA -0.204 4.136 4.340 -0.000 0.000 0.445 503 R C 0.561 176.628 176.300 -0.389 0.000 0.997 503 R CA 0.908 56.913 56.100 -0.159 0.000 1.513 503 R CB -2.519 27.759 30.300 -0.036 0.000 2.145 503 R HN 0.602 nan 8.270 nan 0.000 0.533 504 A N 1.207 123.824 122.820 -0.339 0.000 3.030 504 A HA 0.525 4.845 4.320 -0.000 0.000 0.273 504 A C 0.474 177.604 177.584 -0.756 0.000 1.841 504 A CA 0.756 52.446 52.037 -0.578 0.000 1.479 504 A CB -0.209 18.723 19.000 -0.113 0.000 1.048 504 A HN 0.423 nan 8.150 nan 0.000 0.612 505 A N 1.041 123.134 122.820 -1.213 0.000 2.815 505 A HA 0.673 4.992 4.320 -0.000 0.000 0.318 505 A C -0.507 176.717 177.584 -0.600 0.000 1.186 505 A CA -0.317 51.368 52.037 -0.587 0.000 0.754 505 A CB 0.141 18.942 19.000 -0.333 0.000 1.151 505 A HN 0.496 nan 8.150 nan 0.000 0.452 506 F N 0.546 120.272 119.950 -0.373 0.000 2.729 506 F HA 0.129 4.656 4.527 -0.000 0.000 0.315 506 F C 1.762 177.077 175.800 -0.808 0.000 1.102 506 F CA 0.574 58.141 58.000 -0.722 0.000 1.204 506 F CB 0.203 38.405 39.000 -1.329 0.000 1.052 506 F HN 0.522 nan 8.300 nan 0.000 0.551 507 T N -2.217 112.007 114.554 -0.549 0.000 2.507 507 T HA 0.822 5.172 4.350 -0.000 0.000 0.180 507 T C 0.803 175.081 174.700 -0.704 0.000 0.681 507 T CA 0.166 61.630 62.100 -1.059 0.000 1.959 507 T CB 0.413 68.582 68.868 -1.165 0.000 2.896 507 T HN 0.191 nan 8.240 nan 0.000 0.391 508 G N -0.170 108.221 108.800 -0.682 0.000 2.313 508 G HA2 0.555 4.514 3.960 -0.000 0.000 0.296 508 G HA3 0.555 4.514 3.960 -0.000 0.000 0.296 508 G C -1.390 173.386 174.900 -0.207 0.000 1.356 508 G CA -0.530 44.458 45.100 -0.187 0.000 0.833 508 G HN 0.902 nan 8.290 nan 0.000 0.552 509 A N -0.516 122.188 122.820 -0.194 0.000 2.354 509 A HA 0.818 5.138 4.320 -0.000 0.000 0.269 509 A C -0.781 176.622 177.584 -0.302 0.000 1.109 509 A CA -0.048 51.733 52.037 -0.426 0.000 0.800 509 A CB 0.144 18.297 19.000 -1.413 0.000 1.045 509 A HN 0.732 nan 8.150 nan 0.000 0.489 510 F N 0.567 120.407 119.950 -0.184 0.000 2.575 510 F HA 0.616 5.142 4.527 -0.000 0.000 0.330 510 F C 0.164 176.199 175.800 0.391 0.000 1.056 510 F CA -0.728 57.294 58.000 0.038 0.000 0.964 510 F CB 2.359 41.299 39.000 -0.100 0.000 1.258 510 F HN 0.450 nan 8.300 nan 0.000 0.484 511 V N 1.512 121.768 119.914 0.571 0.000 2.709 511 V HA 0.972 5.092 4.120 -0.000 0.000 0.308 511 V C -0.679 175.701 176.094 0.477 0.000 1.062 511 V CA 0.094 62.789 62.300 0.659 0.000 0.901 511 V CB 1.286 33.529 31.823 0.700 0.000 1.003 511 V HN 0.919 nan 8.190 nan 0.000 0.425 512 G N 5.188 114.309 108.800 0.535 0.000 2.561 512 G HA2 0.552 4.512 3.960 -0.000 0.000 0.310 512 G HA3 0.552 4.512 3.960 -0.000 0.000 0.310 512 G C -1.737 173.416 174.900 0.422 0.000 1.292 512 G CA -0.935 44.322 45.100 0.261 0.000 0.811 512 G HN 0.749 nan 8.290 nan 0.000 0.482 513 M N 0.915 120.591 119.600 0.125 0.000 2.456 513 M HA 0.513 4.993 4.480 -0.000 0.000 0.324 513 M C -0.959 175.415 176.300 0.124 0.000 1.124 513 M CA -0.807 54.458 55.300 -0.059 0.000 0.959 513 M CB 2.492 34.550 32.600 -0.904 0.000 1.692 513 M HN 0.639 nan 8.290 nan 0.000 0.444 514 H N 1.043 120.173 119.070 0.101 0.000 2.894 514 H HA 0.563 5.119 4.556 -0.000 0.000 0.367 514 H C -2.038 173.328 175.328 0.063 0.000 1.144 514 H CA -0.638 55.447 56.048 0.062 0.000 1.180 514 H CB 2.307 31.953 29.762 -0.194 0.000 1.758 514 H HN 0.888 nan 8.280 nan 0.000 0.541 515 C N 5.598 124.788 119.300 -0.183 0.000 2.535 515 C HA 0.589 5.049 4.460 -0.000 0.000 0.319 515 C C -0.677 174.232 174.990 -0.135 0.000 1.171 515 C CA -0.640 58.318 59.018 -0.100 0.000 1.394 515 C CB 0.764 28.433 27.740 -0.119 0.000 1.990 515 C HN 0.983 nan 8.230 nan 0.000 0.466 516 R N 3.530 124.064 120.500 0.057 0.000 2.562 516 R HA 0.600 4.940 4.340 -0.000 0.000 0.298 516 R C -1.499 174.859 176.300 0.098 0.000 0.961 516 R CA -0.113 56.052 56.100 0.109 0.000 0.881 516 R CB 1.235 31.641 30.300 0.178 0.000 1.159 516 R HN 0.747 nan 8.270 nan 0.000 0.450 517 D N 3.200 123.650 120.400 0.083 0.000 2.420 517 D HA 0.243 4.883 4.640 -0.000 0.000 0.255 517 D C 0.460 176.791 176.300 0.052 0.000 1.185 517 D CA -0.395 53.654 54.000 0.083 0.000 0.904 517 D CB 1.462 42.316 40.800 0.090 0.000 1.102 517 D HN 0.814 nan 8.370 nan 0.000 0.534 518 G N 1.491 110.319 108.800 0.048 0.000 2.848 518 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.208 518 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.208 518 G C 1.236 176.136 174.900 -0.000 0.000 1.152 518 G CA 0.825 45.946 45.100 0.035 0.000 0.789 518 G HN 0.461 nan 8.290 nan 0.000 0.531 519 S N -1.173 114.512 115.700 -0.024 0.000 2.468 519 S HA 0.381 4.851 4.470 -0.000 0.000 0.226 519 S C 1.751 176.329 174.600 -0.038 0.000 1.051 519 S CA 1.148 59.315 58.200 -0.056 0.000 0.943 519 S CB 0.092 63.227 63.200 -0.108 0.000 0.810 519 S HN 1.377 nan 8.310 nan 0.000 0.509 520 G N 1.054 109.843 108.800 -0.019 0.000 2.131 520 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.201 520 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.201 520 G C 0.287 175.179 174.900 -0.013 0.000 1.000 520 G CA 0.189 45.282 45.100 -0.012 0.000 0.680 520 G HN 0.525 nan 8.290 nan 0.000 0.514 521 Q N -0.430 119.363 119.800 -0.012 0.000 2.365 521 Q HA 0.202 4.542 4.340 -0.000 0.000 0.203 521 Q C 1.188 177.212 176.000 0.041 0.000 0.929 521 Q CA 0.185 55.982 55.803 -0.011 0.000 0.948 521 Q CB 0.160 28.868 28.738 -0.051 0.000 1.043 521 Q HN 0.467 nan 8.270 nan 0.000 0.505 522 N N 1.607 120.353 118.700 0.077 0.000 2.725 522 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 522 N C -1.103 174.596 175.510 0.315 0.000 1.031 522 N CA 0.283 53.440 53.050 0.179 0.000 0.720 522 N CB -0.875 37.676 38.487 0.107 0.000 0.930 522 N HN 0.271 nan 8.380 nan 0.000 0.543 523 N N 0.461 119.286 118.700 0.208 0.000 2.483 523 N HA 0.487 5.227 4.740 -0.000 0.000 0.269 523 N C -0.613 175.034 175.510 0.228 0.000 1.209 523 N CA -0.005 53.132 53.050 0.145 0.000 0.969 523 N CB 0.455 38.957 38.487 0.025 0.000 1.173 523 N HN 0.321 nan 8.380 nan 0.000 0.475 524 Y N -1.467 118.892 120.300 0.098 0.000 2.625 524 Y HA 0.810 5.360 4.550 -0.000 0.000 0.338 524 Y C -1.438 174.477 175.900 0.024 0.000 1.123 524 Y CA -1.578 56.456 58.100 -0.111 0.000 1.046 524 Y CB 0.701 38.778 38.460 -0.638 0.000 1.299 524 Y HN 0.485 nan 8.280 nan 0.000 0.464 525 A N 1.394 124.241 122.820 0.045 0.000 2.355 525 A HA 0.633 4.953 4.320 -0.000 0.000 0.317 525 A C -1.681 175.866 177.584 -0.062 0.000 1.094 525 A CA -0.741 51.220 52.037 -0.128 0.000 0.764 525 A CB 0.901 19.534 19.000 -0.612 0.000 1.230 525 A HN 0.703 nan 8.150 nan 0.000 0.448 526 D N 1.743 122.103 120.400 -0.068 0.000 2.392 526 D HA 0.464 5.104 4.640 -0.000 0.000 0.228 526 D C -1.244 175.125 176.300 0.114 0.000 1.074 526 D CA 0.501 54.562 54.000 0.101 0.000 0.838 526 D CB 0.754 41.624 40.800 0.117 0.000 1.067 526 D HN 0.331 nan 8.370 nan 0.000 0.511 527 F N 1.517 121.609 119.950 0.236 0.000 2.385 527 F HA 0.123 4.650 4.527 -0.000 0.000 0.360 527 F C 1.646 177.628 175.800 0.304 0.000 1.122 527 F CA -0.742 57.405 58.000 0.245 0.000 1.090 527 F CB 1.451 40.557 39.000 0.177 0.000 1.150 527 F HN 0.172 nan 8.300 nan 0.000 0.472 528 D N 2.617 123.190 120.400 0.288 0.000 2.123 528 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 528 D C -0.226 176.217 176.300 0.240 0.000 0.976 528 D CA 1.598 55.543 54.000 -0.093 0.000 0.831 528 D CB 0.235 40.849 40.800 -0.310 0.000 0.974 528 D HN 0.444 nan 8.370 nan 0.000 0.469 529 Y N -2.888 117.547 120.300 0.225 0.000 2.655 529 Y HA 0.556 5.106 4.550 -0.000 0.000 0.336 529 Y C -1.787 174.240 175.900 0.211 0.000 1.154 529 Y CA -1.952 56.162 58.100 0.024 0.000 1.055 529 Y CB 0.702 39.132 38.460 -0.049 0.000 1.295 529 Y HN -0.199 nan 8.280 nan 0.000 0.465 530 F N 3.508 123.529 119.950 0.118 0.000 2.562 530 F HA 0.683 5.210 4.527 -0.000 0.000 0.319 530 F C -1.799 174.202 175.800 0.335 0.000 1.154 530 F CA -1.115 57.072 58.000 0.312 0.000 0.931 530 F CB 1.553 40.810 39.000 0.427 0.000 1.198 530 F HN 0.724 nan 8.300 nan 0.000 0.444 531 L N 6.437 127.576 121.223 -0.140 0.000 2.346 531 L HA 0.704 5.044 4.340 -0.000 0.000 0.274 531 L C -2.249 174.529 176.870 -0.152 0.000 1.007 531 L CA -1.140 53.681 54.840 -0.033 0.000 0.818 531 L CB 1.573 43.653 42.059 0.036 0.000 1.284 531 L HN 0.611 nan 8.230 nan 0.000 0.424 532 Y N 2.805 123.096 120.300 -0.016 0.000 2.421 532 Y HA 0.672 5.222 4.550 -0.000 0.000 0.339 532 Y C -1.229 174.712 175.900 0.068 0.000 0.996 532 Y CA -0.669 57.440 58.100 0.015 0.000 1.046 532 Y CB 1.413 39.903 38.460 0.049 0.000 1.226 532 Y HN 0.909 nan 8.280 nan 0.000 0.445 533 K N 5.793 125.896 120.400 -0.496 0.000 2.588 533 K HA 0.168 4.487 4.320 -0.000 0.000 0.250 533 K C -1.420 174.891 176.600 -0.482 0.000 0.972 533 K CA -0.573 55.493 56.287 -0.367 0.000 0.821 533 K CB 1.701 34.087 32.500 -0.189 0.000 1.249 533 K HN 0.932 nan 8.250 nan 0.000 0.442 534 E N 4.423 124.309 120.200 -0.523 0.000 2.415 534 E HA 0.071 4.420 4.350 -0.000 0.000 0.263 534 E C -0.443 176.014 176.600 -0.239 0.000 0.995 534 E CA 0.003 56.099 56.400 -0.506 0.000 0.915 534 E CB 0.298 29.556 29.700 -0.736 0.000 0.951 534 E HN 0.539 nan 8.360 nan 0.000 0.449 535 L N 0.000 121.153 121.223 -0.117 0.000 2.949 535 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 535 L CA 0.000 54.796 54.840 -0.073 0.000 0.813 535 L CB 0.000 42.003 42.059 -0.093 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502