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 2fug_1_4 DATA FIRST_RESID 35 DATA SEQUENCE PSTHGVLRLM VTLSGEEVLE VVPHIGYLHT GFEKTMEHRT YLQNITYTPR DATA SEQUENCE MDYLHSFAHD LAYALAVEKL LGAVVPPRAE TIRVILNELS RLASHLVFLG DATA SEQUENCE TGLLDLGALT PFFYAFRERE TILDLFEWVT GQRFHHNYIR IGGVKEDLPE DATA SEQUENCE EFVPELKKLL EVLPHRIDEY EALFAESPIF YERARGVGVI PPEVAIDLGL DATA SEQUENCE TGGSLRASGV NYDVRKAYPY SGYXXXXXDV PLGERGDVFD RMLVRIREMR DATA SEQUENCE ESVKIIKQAL ERLEPGPVRD PNPQITPPPR HLLETSMEAV IYHFKHYTEG DATA SEQUENCE FHPPKGEVYV PTESARGELG YYIVSDGGSM PYRVKVRAPS FVNLQSLPYA DATA SEQUENCE CKGEQVPDMV AIIASLDPVM GDVDR 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 35 P HA 0.000 nan 4.420 nan 0.000 0.216 35 P C 0.000 177.332 177.300 0.053 0.000 1.155 35 P CA 0.000 63.123 63.100 0.039 0.000 0.800 35 P CB 0.000 31.718 31.700 0.029 0.000 0.726 36 S N 1.693 117.432 115.700 0.065 0.000 2.516 36 S HA 0.545 5.016 4.470 0.002 0.000 0.282 36 S C 0.659 175.313 174.600 0.090 0.000 1.286 36 S CA 0.396 58.651 58.200 0.092 0.000 1.066 36 S CB 0.698 63.959 63.200 0.102 0.000 0.884 36 S HN 0.703 nan 8.310 nan 0.000 0.491 37 T N 0.715 115.332 114.554 0.105 0.000 2.903 37 T HA 0.506 4.857 4.350 0.002 0.000 0.299 37 T C -1.213 173.575 174.700 0.147 0.000 1.093 37 T CA -0.852 61.313 62.100 0.108 0.000 1.002 37 T CB 1.178 70.089 68.868 0.072 0.000 1.127 37 T HN 0.510 nan 8.240 nan 0.000 0.488 38 H N 0.482 119.557 119.070 0.008 0.000 2.541 38 H HA 0.613 5.170 4.556 0.001 0.000 0.316 38 H C 1.207 176.543 175.328 0.012 0.000 1.043 38 H CA 0.779 56.823 56.048 -0.006 0.000 1.232 38 H CB 0.964 30.701 29.762 -0.043 0.000 1.406 38 H HN 1.038 nan 8.280 nan 0.000 0.469 39 G N 1.902 110.703 108.800 0.001 0.000 2.226 39 G HA2 -0.059 3.902 3.960 0.002 0.000 0.166 39 G HA3 -0.059 3.902 3.960 0.002 0.000 0.166 39 G C 0.117 175.051 174.900 0.056 0.000 1.629 39 G CA 0.806 45.923 45.100 0.029 0.000 1.008 39 G HN 0.514 nan 8.290 nan 0.000 0.410 40 V N -0.192 119.754 119.914 0.054 0.000 3.265 40 V HA 0.355 4.476 4.120 0.002 0.000 0.346 40 V C -0.217 175.925 176.094 0.080 0.000 1.447 40 V CA 0.005 62.346 62.300 0.068 0.000 1.179 40 V CB 0.119 31.977 31.823 0.058 0.000 1.103 40 V HN 0.373 nan 8.190 nan 0.000 0.530 41 L N 1.773 123.038 121.223 0.071 0.000 2.559 41 L HA 0.434 4.775 4.340 0.002 0.000 0.276 41 L C 0.436 177.349 176.870 0.072 0.000 1.457 41 L CA -0.619 54.276 54.840 0.091 0.000 0.708 41 L CB 0.941 43.061 42.059 0.102 0.000 0.987 41 L HN 0.215 nan 8.230 nan 0.000 0.518 42 R N -0.192 120.342 120.500 0.057 0.000 3.591 42 R HA -0.203 4.138 4.340 0.002 0.000 0.268 42 R C -0.494 175.773 176.300 -0.056 0.000 1.102 42 R CA 1.003 57.120 56.100 0.028 0.000 0.732 42 R CB -2.571 27.801 30.300 0.121 0.000 1.117 42 R HN 0.673 nan 8.270 nan 0.000 0.472 43 L N -3.680 117.437 121.223 -0.177 0.000 2.422 43 L HA 0.712 5.053 4.340 0.002 0.000 0.264 43 L C -0.122 176.586 176.870 -0.270 0.000 0.984 43 L CA -1.226 53.551 54.840 -0.105 0.000 0.819 43 L CB 2.343 44.416 42.059 0.024 0.000 1.330 43 L HN 0.042 nan 8.230 nan 0.000 0.410 44 M N 4.601 124.153 119.600 -0.080 0.000 2.264 44 M HA 0.674 5.155 4.480 0.002 0.000 0.352 44 M C -1.229 175.120 176.300 0.082 0.000 1.173 44 M CA -0.690 54.613 55.300 0.005 0.000 1.075 44 M CB 1.556 34.313 32.600 0.262 0.000 1.621 44 M HN 0.656 nan 8.290 nan 0.000 0.457 45 V N 1.376 121.330 119.914 0.066 0.000 2.569 45 V HA 0.525 4.646 4.120 0.002 0.000 0.301 45 V C -0.594 175.536 176.094 0.060 0.000 1.044 45 V CA -0.530 61.793 62.300 0.037 0.000 0.874 45 V CB 1.237 33.068 31.823 0.013 0.000 1.002 45 V HN 0.823 nan 8.190 nan 0.000 0.424 46 T N 7.123 121.707 114.554 0.050 0.000 2.749 46 T HA 0.739 5.090 4.350 0.002 0.000 0.287 46 T C -0.590 174.126 174.700 0.026 0.000 0.970 46 T CA -0.183 61.957 62.100 0.067 0.000 0.980 46 T CB 0.685 69.624 68.868 0.119 0.000 0.924 46 T HN 0.895 nan 8.240 nan 0.000 0.456 47 L N 3.166 124.406 121.223 0.028 0.000 2.462 47 L HA 0.449 4.790 4.340 0.002 0.000 0.255 47 L C 1.370 178.250 176.870 0.016 0.000 1.076 47 L CA -0.813 54.036 54.840 0.015 0.000 0.920 47 L CB -0.023 42.042 42.059 0.011 0.000 1.214 47 L HN 0.546 nan 8.230 nan 0.000 0.472 48 S N 1.025 116.735 115.700 0.016 0.000 2.400 48 S HA -0.151 4.320 4.470 0.002 0.000 0.234 48 S C 1.243 175.849 174.600 0.009 0.000 1.049 48 S CA 0.810 59.019 58.200 0.015 0.000 1.039 48 S CB -1.275 61.933 63.200 0.013 0.000 0.856 48 S HN 0.939 nan 8.310 nan 0.000 0.465 49 G N 2.225 111.027 108.800 0.004 0.000 2.238 49 G HA2 0.145 4.106 3.960 0.002 0.000 0.234 49 G HA3 0.145 4.106 3.960 0.002 0.000 0.234 49 G C 0.584 175.485 174.900 0.001 0.000 1.181 49 G CA 0.240 45.339 45.100 -0.001 0.000 0.871 49 G HN 0.778 nan 8.290 nan 0.000 0.490 50 E N 0.686 120.885 120.200 -0.002 0.000 2.371 50 E HA 0.059 4.410 4.350 0.002 0.000 0.194 50 E C 0.901 177.499 176.600 -0.004 0.000 1.012 50 E CA 0.800 57.200 56.400 -0.001 0.000 0.860 50 E CB 0.328 30.027 29.700 -0.002 0.000 0.811 50 E HN 0.449 nan 8.360 nan 0.000 0.502 51 E N 0.001 120.197 120.200 -0.006 0.000 2.614 51 E HA 0.145 4.496 4.350 0.002 0.000 0.201 51 E C -0.431 176.163 176.600 -0.010 0.000 0.889 51 E CA 0.903 57.298 56.400 -0.008 0.000 1.564 51 E CB 2.285 31.979 29.700 -0.010 0.000 1.623 51 E HN 0.175 nan 8.360 nan 0.000 0.898 52 V N -0.647 119.260 119.914 -0.012 0.000 4.408 52 V HA 0.244 4.365 4.120 0.002 0.000 0.233 52 V C -0.594 175.485 176.094 -0.024 0.000 1.321 52 V CA -0.480 61.810 62.300 -0.017 0.000 1.177 52 V CB -0.870 30.939 31.823 -0.023 0.000 0.826 52 V HN -0.009 nan 8.190 nan 0.000 0.478 53 L N 0.536 121.748 121.223 -0.019 0.000 2.426 53 L HA 0.767 5.108 4.340 0.002 0.000 0.260 53 L C 0.411 177.269 176.870 -0.020 0.000 1.233 53 L CA -1.172 53.655 54.840 -0.021 0.000 1.267 53 L CB 0.803 42.854 42.059 -0.013 0.000 1.814 53 L HN 0.552 nan 8.230 nan 0.000 0.561 54 E N 1.106 121.296 120.200 -0.016 0.000 2.558 54 E HA 0.101 4.452 4.350 0.002 0.000 0.255 54 E C -1.036 175.555 176.600 -0.015 0.000 0.968 54 E CA 0.276 56.667 56.400 -0.015 0.000 0.939 54 E CB 0.259 29.953 29.700 -0.010 0.000 0.921 54 E HN 0.130 nan 8.360 nan 0.000 0.477 55 V N 4.589 124.490 119.914 -0.021 0.000 2.334 55 V HA 0.185 4.306 4.120 0.002 0.000 0.281 55 V C -0.294 175.766 176.094 -0.055 0.000 1.016 55 V CA -0.854 61.430 62.300 -0.026 0.000 0.832 55 V CB 1.544 33.357 31.823 -0.017 0.000 0.999 55 V HN 0.376 nan 8.190 nan 0.000 0.439 56 V N 8.540 128.404 119.914 -0.082 0.000 2.320 56 V HA 0.304 4.425 4.120 0.002 0.000 0.265 56 V C -1.913 174.002 176.094 -0.298 0.000 1.048 56 V CA -1.493 60.698 62.300 -0.182 0.000 0.865 56 V CB 1.375 33.092 31.823 -0.176 0.000 1.043 56 V HN 0.710 nan 8.190 nan 0.000 0.474 57 P HA 0.290 nan 4.420 nan 0.000 0.286 57 P C -0.895 176.247 177.300 -0.263 0.000 1.269 57 P CA -0.245 62.745 63.100 -0.183 0.000 0.787 57 P CB 0.851 32.497 31.700 -0.090 0.000 0.920 58 H N 4.726 123.833 119.070 0.062 0.000 2.595 58 H HA 0.231 4.788 4.556 0.002 0.000 0.313 58 H C 0.640 176.022 175.328 0.089 0.000 1.023 58 H CA -0.419 55.668 56.048 0.066 0.000 1.218 58 H CB 1.257 31.079 29.762 0.100 0.000 1.403 58 H HN 0.381 nan 8.280 nan 0.000 0.477 59 I N -1.397 119.255 120.570 0.135 0.000 3.944 59 I HA 0.648 4.819 4.170 0.002 0.000 0.259 59 I C 1.238 177.314 176.117 -0.068 0.000 1.337 59 I CA -1.002 60.361 61.300 0.105 0.000 1.104 59 I CB -0.112 37.965 38.000 0.128 0.000 1.465 59 I HN 0.670 nan 8.210 nan 0.000 0.564 60 G N -0.128 108.662 108.800 -0.016 0.000 2.141 60 G HA2 -0.294 3.667 3.960 0.002 0.000 0.231 60 G HA3 -0.294 3.667 3.960 0.002 0.000 0.231 60 G C 0.290 175.120 174.900 -0.116 0.000 0.984 60 G CA 0.484 45.538 45.100 -0.077 0.000 0.660 60 G HN 0.679 nan 8.290 nan 0.000 0.525 61 Y N -0.267 120.109 120.300 0.127 0.000 2.519 61 Y HA 0.415 4.966 4.550 0.002 0.000 0.287 61 Y C 2.365 178.343 175.900 0.130 0.000 1.128 61 Y CA 0.955 59.131 58.100 0.126 0.000 1.282 61 Y CB 0.317 38.850 38.460 0.122 0.000 1.027 61 Y HN 0.347 nan 8.280 nan 0.000 0.551 62 L N -0.594 120.776 121.223 0.246 0.000 3.168 62 L HA 0.137 4.478 4.340 0.002 0.000 0.277 62 L C -0.269 176.712 176.870 0.185 0.000 1.245 62 L CA -0.270 54.691 54.840 0.201 0.000 1.035 62 L CB -0.157 42.019 42.059 0.196 0.000 1.399 62 L HN 0.071 nan 8.230 nan 0.000 0.580 63 H N 0.312 119.433 119.070 0.086 0.000 3.091 63 H HA 0.016 4.573 4.556 0.001 0.000 0.289 63 H C 0.659 176.052 175.328 0.109 0.000 0.995 63 H CA 0.787 56.879 56.048 0.072 0.000 1.461 63 H CB 0.717 30.495 29.762 0.026 0.000 1.510 63 H HN -0.035 nan 8.280 nan 0.000 0.546 64 T N 3.746 118.169 114.554 -0.220 0.000 3.044 64 T HA 0.190 4.541 4.350 0.002 0.000 0.260 64 T C 1.554 176.093 174.700 -0.268 0.000 1.019 64 T CA 0.309 62.328 62.100 -0.134 0.000 0.921 64 T CB 0.239 69.218 68.868 0.186 0.000 1.053 64 T HN 0.890 nan 8.240 nan 0.000 0.533 65 G N 1.371 109.823 108.800 -0.580 0.000 2.189 65 G HA2 -0.357 3.604 3.960 0.002 0.000 0.267 65 G HA3 -0.357 3.604 3.960 0.002 0.000 0.267 65 G C 0.806 175.739 174.900 0.056 0.000 0.975 65 G CA 0.385 45.336 45.100 -0.248 0.000 0.644 65 G HN 0.451 nan 8.290 nan 0.000 0.537 66 F N 0.805 120.705 119.950 -0.084 0.000 2.104 66 F HA -0.286 4.242 4.527 0.002 0.000 0.289 66 F C 2.584 178.392 175.800 0.013 0.000 1.115 66 F CA 2.643 60.654 58.000 0.019 0.000 1.273 66 F CB -0.953 38.057 39.000 0.018 0.000 0.933 66 F HN 0.401 nan 8.300 nan 0.000 0.517 67 E N -0.635 119.706 120.200 0.234 0.000 2.271 67 E HA -0.332 4.019 4.350 0.002 0.000 0.209 67 E C 2.146 178.777 176.600 0.052 0.000 1.046 67 E CA 1.985 58.452 56.400 0.112 0.000 0.840 67 E CB -0.257 29.485 29.700 0.070 0.000 0.738 67 E HN 0.452 nan 8.360 nan 0.000 0.470 68 K N -0.387 120.046 120.400 0.056 0.000 2.262 68 K HA -0.050 4.271 4.320 0.002 0.000 0.200 68 K C 2.298 178.926 176.600 0.046 0.000 1.058 68 K CA 1.079 57.383 56.287 0.028 0.000 0.974 68 K CB 0.053 32.588 32.500 0.058 0.000 0.910 68 K HN 0.014 nan 8.250 nan 0.000 0.484 69 T N 0.606 115.187 114.554 0.045 0.000 2.759 69 T HA -0.165 4.186 4.350 0.002 0.000 0.269 69 T C 1.862 176.504 174.700 -0.097 0.000 1.042 69 T CA 1.496 63.621 62.100 0.042 0.000 1.140 69 T CB -0.170 68.710 68.868 0.021 0.000 0.864 69 T HN 0.205 nan 8.240 nan 0.000 0.455 70 M N 0.532 120.021 119.600 -0.187 0.000 2.267 70 M HA -0.022 4.459 4.480 0.002 0.000 0.263 70 M C 2.092 178.203 176.300 -0.315 0.000 1.063 70 M CA 1.529 56.624 55.300 -0.341 0.000 1.090 70 M CB -0.394 32.076 32.600 -0.216 0.000 1.392 70 M HN 0.366 nan 8.290 nan 0.000 0.422 71 E N -0.267 119.752 120.200 -0.301 0.000 2.533 71 E HA -0.118 4.233 4.350 0.002 0.000 0.201 71 E C 0.068 176.208 176.600 -0.766 0.000 1.097 71 E CA 0.438 56.541 56.400 -0.494 0.000 0.887 71 E CB -0.008 29.361 29.700 -0.551 0.000 0.855 71 E HN 0.553 nan 8.360 nan 0.000 0.540 72 H N -0.483 118.463 119.070 -0.206 0.000 2.790 72 H HA 0.380 4.937 4.556 0.001 0.000 0.232 72 H C -0.473 174.723 175.328 -0.220 0.000 1.313 72 H CA -0.176 55.766 56.048 -0.178 0.000 1.011 72 H CB 0.351 30.030 29.762 -0.139 0.000 2.105 72 H HN -0.110 nan 8.280 nan 0.000 0.580 73 R N -0.353 120.013 120.500 -0.222 0.000 2.710 73 R HA 0.320 4.661 4.340 0.002 0.000 0.270 73 R C -0.479 175.663 176.300 -0.263 0.000 1.021 73 R CA -0.467 55.478 56.100 -0.259 0.000 0.889 73 R CB 1.089 31.128 30.300 -0.434 0.000 1.243 73 R HN -0.027 nan 8.270 nan 0.000 0.464 74 T N 1.821 116.255 114.554 -0.200 0.000 2.900 74 T HA 0.035 4.386 4.350 0.002 0.000 0.307 74 T C 0.741 175.349 174.700 -0.153 0.000 1.065 74 T CA 0.337 62.338 62.100 -0.166 0.000 1.105 74 T CB 0.138 68.914 68.868 -0.153 0.000 0.979 74 T HN 0.376 nan 8.240 nan 0.000 0.544 75 Y N 0.782 120.958 120.300 -0.207 0.000 2.333 75 Y HA -0.047 4.504 4.550 0.002 0.000 0.290 75 Y C 1.995 177.916 175.900 0.035 0.000 1.144 75 Y CA 0.604 58.700 58.100 -0.006 0.000 1.228 75 Y CB -0.353 38.145 38.460 0.062 0.000 0.985 75 Y HN 0.458 nan 8.280 nan 0.000 0.542 76 L N -0.009 121.227 121.223 0.021 0.000 2.095 76 L HA -0.152 4.189 4.340 0.002 0.000 0.204 76 L C 2.034 178.912 176.870 0.012 0.000 1.080 76 L CA 1.653 56.512 54.840 0.032 0.000 0.759 76 L CB -0.691 41.339 42.059 -0.049 0.000 0.914 76 L HN 0.156 nan 8.230 nan 0.000 0.439 77 Q N -0.441 119.329 119.800 -0.050 0.000 2.084 77 Q HA -0.186 4.154 4.340 0.002 0.000 0.202 77 Q C 1.946 177.879 176.000 -0.112 0.000 0.978 77 Q CA 1.444 57.210 55.803 -0.062 0.000 0.844 77 Q CB -0.359 28.311 28.738 -0.113 0.000 0.898 77 Q HN 0.546 nan 8.270 nan 0.000 0.426 78 N N 1.172 119.736 118.700 -0.227 0.000 2.192 78 N HA -0.160 4.581 4.740 0.002 0.000 0.188 78 N C 1.711 177.041 175.510 -0.300 0.000 1.013 78 N CA 1.001 53.830 53.050 -0.367 0.000 0.863 78 N CB -0.294 37.927 38.487 -0.442 0.000 0.990 78 N HN 0.286 nan 8.380 nan 0.000 0.430 79 I N 0.702 121.157 120.570 -0.192 0.000 2.248 79 I HA -0.319 3.852 4.170 0.002 0.000 0.248 79 I C 2.113 178.202 176.117 -0.047 0.000 1.107 79 I CA 1.652 62.871 61.300 -0.134 0.000 1.373 79 I CB -0.640 37.370 38.000 0.016 0.000 1.055 79 I HN 0.313 nan 8.210 nan 0.000 0.418 80 T N -2.393 112.184 114.554 0.039 0.000 2.995 80 T HA -0.162 4.189 4.350 0.002 0.000 0.269 80 T C 1.649 176.370 174.700 0.035 0.000 1.091 80 T CA 0.931 63.059 62.100 0.047 0.000 1.128 80 T CB -0.429 68.475 68.868 0.060 0.000 0.891 80 T HN 0.253 nan 8.240 nan 0.000 0.492 81 Y N 2.530 122.730 120.300 -0.167 0.000 2.365 81 Y HA 0.061 4.612 4.550 0.002 0.000 0.293 81 Y C 3.119 179.031 175.900 0.019 0.000 1.119 81 Y CA 0.762 58.786 58.100 -0.127 0.000 1.203 81 Y CB -0.977 37.383 38.460 -0.166 0.000 1.026 81 Y HN 0.455 nan 8.280 nan 0.000 0.549 82 T N -1.598 113.003 114.554 0.079 0.000 2.759 82 T HA -0.126 4.225 4.350 0.002 0.000 0.269 82 T C -0.402 174.316 174.700 0.031 0.000 1.042 82 T CA 1.099 63.249 62.100 0.082 0.000 1.140 82 T CB -1.568 67.249 68.868 -0.086 0.000 0.864 82 T HN 0.204 nan 8.240 nan 0.000 0.455 83 P HA 0.094 nan 4.420 nan 0.000 0.233 83 P C 0.898 178.218 177.300 0.032 0.000 1.167 83 P CA 0.641 63.763 63.100 0.035 0.000 0.770 83 P CB -0.152 31.608 31.700 0.099 0.000 0.837 84 R N -0.887 119.575 120.500 -0.064 0.000 2.423 84 R HA 0.316 4.657 4.340 0.002 0.000 0.248 84 R C 1.965 178.299 176.300 0.056 0.000 1.019 84 R CA 0.369 56.450 56.100 -0.032 0.000 1.119 84 R CB -0.654 29.582 30.300 -0.107 0.000 1.176 84 R HN 0.257 nan 8.270 nan 0.000 0.526 85 M N -1.983 117.470 119.600 -0.245 0.000 2.838 85 M HA 0.071 4.552 4.480 0.002 0.000 0.251 85 M C 1.202 177.261 176.300 -0.402 0.000 1.393 85 M CA 0.805 55.794 55.300 -0.519 0.000 1.196 85 M CB 0.306 32.414 32.600 -0.820 0.000 1.276 85 M HN 0.039 nan 8.290 nan 0.000 0.541 86 D N 0.298 120.426 120.400 -0.454 0.000 2.389 86 D HA -0.044 4.597 4.640 0.002 0.000 0.206 86 D C 0.681 176.788 176.300 -0.321 0.000 1.055 86 D CA 0.272 54.063 54.000 -0.348 0.000 0.856 86 D CB 0.339 41.069 40.800 -0.116 0.000 0.957 86 D HN 0.417 nan 8.370 nan 0.000 0.509 87 Y N -0.261 120.074 120.300 0.058 0.000 4.330 87 Y HA -0.319 4.232 4.550 0.001 0.000 0.204 87 Y C 0.493 176.530 175.900 0.228 0.000 1.042 87 Y CA 0.621 58.844 58.100 0.205 0.000 1.588 87 Y CB -2.044 36.571 38.460 0.259 0.000 1.517 87 Y HN 0.164 nan 8.280 nan 0.000 0.601 88 L N -2.130 119.219 121.223 0.209 0.000 2.666 88 L HA 0.166 4.506 4.340 0.002 0.000 0.184 88 L C 1.753 178.758 176.870 0.225 0.000 1.092 88 L CA 0.525 55.485 54.840 0.199 0.000 0.857 88 L CB 0.126 42.258 42.059 0.121 0.000 1.281 88 L HN 0.446 nan 8.230 nan 0.000 0.489 89 H N 0.399 119.526 119.070 0.094 0.000 2.507 89 H HA 0.112 4.669 4.556 0.002 0.000 0.281 89 H C 1.465 176.896 175.328 0.172 0.000 1.160 89 H CA 0.265 56.385 56.048 0.120 0.000 0.981 89 H CB 0.597 30.397 29.762 0.063 0.000 1.665 89 H HN 0.271 nan 8.280 nan 0.000 0.554 90 S N 0.589 116.442 115.700 0.255 0.000 2.380 90 S HA -0.328 4.143 4.470 0.002 0.000 0.229 90 S C 1.789 176.492 174.600 0.171 0.000 1.050 90 S CA 1.483 59.788 58.200 0.175 0.000 1.100 90 S CB -0.999 62.299 63.200 0.164 0.000 0.984 90 S HN 0.529 nan 8.310 nan 0.000 0.434 91 F N 3.121 123.153 119.950 0.136 0.000 2.204 91 F HA -0.240 4.289 4.527 0.002 0.000 0.301 91 F C 2.553 178.343 175.800 -0.016 0.000 1.058 91 F CA 0.826 58.898 58.000 0.121 0.000 1.313 91 F CB -0.865 38.259 39.000 0.207 0.000 1.051 91 F HN 0.361 nan 8.300 nan 0.000 0.505 92 A N -0.672 122.058 122.820 -0.150 0.000 1.858 92 A HA -0.223 4.098 4.320 0.002 0.000 0.216 92 A C 2.219 179.693 177.584 -0.184 0.000 1.190 92 A CA 1.898 53.724 52.037 -0.352 0.000 0.617 92 A CB -1.168 17.413 19.000 -0.698 0.000 0.827 92 A HN 0.549 nan 8.150 nan 0.000 0.443 93 H N -0.429 118.560 119.070 -0.135 0.000 2.270 93 H HA -0.146 4.411 4.556 0.001 0.000 0.299 93 H C 1.972 177.224 175.328 -0.126 0.000 1.077 93 H CA 1.896 57.960 56.048 0.026 0.000 1.294 93 H CB -0.380 29.440 29.762 0.097 0.000 1.371 93 H HN 0.499 nan 8.280 nan 0.000 0.491 94 D N 0.600 120.946 120.400 -0.090 0.000 2.303 94 D HA -0.217 4.424 4.640 0.002 0.000 0.190 94 D C 2.209 178.335 176.300 -0.290 0.000 1.011 94 D CA 1.591 55.432 54.000 -0.265 0.000 0.860 94 D CB -0.535 39.931 40.800 -0.558 0.000 0.961 94 D HN 0.077 nan 8.370 nan 0.000 0.453 95 L N 0.625 121.592 121.223 -0.428 0.000 1.933 95 L HA -0.226 4.115 4.340 0.002 0.000 0.220 95 L C 2.183 178.931 176.870 -0.203 0.000 1.078 95 L CA 2.538 57.197 54.840 -0.302 0.000 0.773 95 L CB -1.148 40.744 42.059 -0.279 0.000 0.890 95 L HN 0.114 nan 8.230 nan 0.000 0.434 96 A N -1.773 120.935 122.820 -0.187 0.000 2.023 96 A HA -0.366 3.955 4.320 0.002 0.000 0.223 96 A C 2.281 179.781 177.584 -0.140 0.000 1.180 96 A CA 2.541 54.517 52.037 -0.103 0.000 0.659 96 A CB -1.394 17.601 19.000 -0.008 0.000 0.817 96 A HN 0.777 nan 8.150 nan 0.000 0.466 97 Y N -0.194 119.782 120.300 -0.540 0.000 2.206 97 Y HA 0.169 4.720 4.550 0.002 0.000 0.292 97 Y C 2.614 178.308 175.900 -0.345 0.000 1.123 97 Y CA 0.945 58.560 58.100 -0.808 0.000 1.142 97 Y CB -0.663 37.111 38.460 -1.143 0.000 1.006 97 Y HN 0.298 nan 8.280 nan 0.000 0.518 98 A N 1.287 123.962 122.820 -0.242 0.000 1.859 98 A HA -0.199 4.121 4.320 0.002 0.000 0.217 98 A C 2.163 179.603 177.584 -0.240 0.000 1.198 98 A CA 1.976 53.874 52.037 -0.231 0.000 0.629 98 A CB -1.288 17.652 19.000 -0.100 0.000 0.830 98 A HN 0.491 nan 8.150 nan 0.000 0.446 99 L N -0.609 120.520 121.223 -0.156 0.000 2.034 99 L HA -0.306 4.035 4.340 0.002 0.000 0.217 99 L C 3.040 179.836 176.870 -0.124 0.000 1.077 99 L CA 2.408 57.196 54.840 -0.088 0.000 0.769 99 L CB -1.844 40.216 42.059 0.002 0.000 0.890 99 L HN 0.509 nan 8.230 nan 0.000 0.435 100 A N -0.862 121.850 122.820 -0.180 0.000 1.865 100 A HA -0.177 4.143 4.320 0.002 0.000 0.217 100 A C 2.476 179.945 177.584 -0.191 0.000 1.191 100 A CA 2.136 54.074 52.037 -0.164 0.000 0.623 100 A CB -0.909 17.995 19.000 -0.159 0.000 0.826 100 A HN 0.228 nan 8.150 nan 0.000 0.444 101 V N 0.212 119.945 119.914 -0.301 0.000 2.261 101 V HA -0.285 3.836 4.120 0.002 0.000 0.246 101 V C 2.438 178.396 176.094 -0.225 0.000 1.047 101 V CA 2.358 64.505 62.300 -0.255 0.000 1.015 101 V CB -0.965 30.676 31.823 -0.304 0.000 0.642 101 V HN 0.672 nan 8.190 nan 0.000 0.446 102 E N -0.037 120.039 120.200 -0.207 0.000 2.048 102 E HA -0.297 4.054 4.350 0.002 0.000 0.202 102 E C 2.322 178.834 176.600 -0.148 0.000 1.021 102 E CA 1.645 57.942 56.400 -0.172 0.000 0.825 102 E CB -0.270 29.358 29.700 -0.119 0.000 0.756 102 E HN 0.525 nan 8.360 nan 0.000 0.454 103 K N 0.676 121.008 120.400 -0.113 0.000 2.032 103 K HA -0.138 4.183 4.320 0.002 0.000 0.209 103 K C 2.386 178.924 176.600 -0.103 0.000 1.048 103 K CA 0.743 56.978 56.287 -0.086 0.000 0.927 103 K CB -0.440 32.026 32.500 -0.056 0.000 0.712 103 K HN 0.177 nan 8.250 nan 0.000 0.441 104 L N 1.245 122.396 121.223 -0.119 0.000 2.051 104 L HA -0.206 4.135 4.340 0.002 0.000 0.214 104 L C 1.432 178.216 176.870 -0.143 0.000 1.076 104 L CA 1.275 56.043 54.840 -0.120 0.000 0.758 104 L CB -0.124 41.861 42.059 -0.123 0.000 0.890 104 L HN 0.167 nan 8.230 nan 0.000 0.433 105 L N -2.768 118.338 121.223 -0.196 0.000 2.928 105 L HA 0.509 4.850 4.340 0.002 0.000 0.246 105 L C 1.038 177.795 176.870 -0.188 0.000 1.239 105 L CA 0.187 54.895 54.840 -0.219 0.000 1.035 105 L CB -0.667 41.183 42.059 -0.348 0.000 1.360 105 L HN 0.085 nan 8.230 nan 0.000 0.529 106 G N -0.061 108.654 108.800 -0.143 0.000 2.321 106 G HA2 -0.198 3.763 3.960 0.002 0.000 0.287 106 G HA3 -0.198 3.763 3.960 0.002 0.000 0.287 106 G C 0.541 175.369 174.900 -0.120 0.000 1.018 106 G CA 0.438 45.470 45.100 -0.114 0.000 0.855 106 G HN 1.046 nan 8.290 nan 0.000 0.507 107 A N -1.142 121.588 122.820 -0.149 0.000 2.366 107 A HA 0.775 5.096 4.320 0.002 0.000 0.249 107 A C 0.677 178.206 177.584 -0.093 0.000 1.084 107 A CA 0.358 52.311 52.037 -0.139 0.000 0.794 107 A CB 1.067 19.961 19.000 -0.176 0.000 1.034 107 A HN 1.924 nan 8.150 nan 0.000 0.491 108 V N 0.146 120.015 119.914 -0.074 0.000 2.531 108 V HA 0.644 4.765 4.120 0.002 0.000 0.301 108 V C -0.387 175.684 176.094 -0.039 0.000 1.034 108 V CA -0.797 61.474 62.300 -0.048 0.000 0.865 108 V CB 0.966 32.765 31.823 -0.039 0.000 0.995 108 V HN 0.654 nan 8.190 nan 0.000 0.424 109 V N 6.369 126.269 119.914 -0.024 0.000 2.530 109 V HA 0.328 4.449 4.120 0.002 0.000 0.282 109 V C -1.731 174.358 176.094 -0.008 0.000 1.048 109 V CA -1.133 61.158 62.300 -0.014 0.000 0.997 109 V CB 0.698 32.523 31.823 0.003 0.000 0.987 109 V HN 0.883 nan 8.190 nan 0.000 0.477 110 P HA 0.096 nan 4.420 nan 0.000 0.268 110 P C -1.694 175.606 177.300 0.000 0.000 1.208 110 P CA -1.030 62.065 63.100 -0.009 0.000 0.777 110 P CB 0.082 31.774 31.700 -0.014 0.000 0.875 111 P HA -0.202 nan 4.420 nan 0.000 0.215 111 P C 1.317 178.622 177.300 0.008 0.000 1.157 111 P CA 1.681 64.783 63.100 0.003 0.000 0.874 111 P CB 0.123 31.821 31.700 -0.002 0.000 0.790 112 R N -0.320 120.183 120.500 0.006 0.000 2.316 112 R HA 0.046 4.387 4.340 0.002 0.000 0.202 112 R C 1.972 178.282 176.300 0.018 0.000 1.029 112 R CA 0.823 56.929 56.100 0.010 0.000 1.018 112 R CB -0.299 30.005 30.300 0.006 0.000 0.888 112 R HN 0.126 nan 8.270 nan 0.000 0.471 113 A N 0.534 123.364 122.820 0.018 0.000 1.862 113 A HA -0.089 4.232 4.320 0.002 0.000 0.211 113 A C 1.849 179.465 177.584 0.052 0.000 1.220 113 A CA 0.724 52.777 52.037 0.027 0.000 0.616 113 A CB -0.496 18.510 19.000 0.009 0.000 0.878 113 A HN 0.447 nan 8.150 nan 0.000 0.453 114 E N -0.348 119.881 120.200 0.048 0.000 2.136 114 E HA -0.278 4.073 4.350 0.002 0.000 0.208 114 E C 1.935 178.580 176.600 0.075 0.000 1.035 114 E CA 2.253 58.694 56.400 0.068 0.000 0.838 114 E CB -0.279 29.453 29.700 0.054 0.000 0.748 114 E HN 0.558 nan 8.360 nan 0.000 0.459 115 T N 1.551 116.136 114.554 0.053 0.000 2.595 115 T HA -0.184 4.167 4.350 0.002 0.000 0.264 115 T C 1.914 176.645 174.700 0.053 0.000 1.058 115 T CA 1.760 63.888 62.100 0.046 0.000 1.166 115 T CB -0.263 68.623 68.868 0.030 0.000 0.863 115 T HN 0.191 nan 8.240 nan 0.000 0.415 116 I N 1.342 121.943 120.570 0.052 0.000 2.185 116 I HA -0.197 3.974 4.170 0.002 0.000 0.246 116 I C 2.348 178.506 176.117 0.068 0.000 1.088 116 I CA 1.587 62.915 61.300 0.047 0.000 1.347 116 I CB -1.153 36.901 38.000 0.091 0.000 1.041 116 I HN 0.260 nan 8.210 nan 0.000 0.415 117 R N 0.263 120.847 120.500 0.140 0.000 2.328 117 R HA -0.073 4.268 4.340 0.002 0.000 0.207 117 R C 2.068 178.487 176.300 0.198 0.000 1.056 117 R CA 1.022 57.275 56.100 0.255 0.000 1.016 117 R CB -0.050 30.404 30.300 0.258 0.000 0.872 117 R HN 0.552 nan 8.270 nan 0.000 0.471 118 V N -3.804 116.168 119.914 0.095 0.000 2.908 118 V HA 0.098 4.219 4.120 0.002 0.000 0.240 118 V C 1.833 177.936 176.094 0.014 0.000 1.117 118 V CA 0.332 62.678 62.300 0.077 0.000 1.133 118 V CB -0.303 31.576 31.823 0.094 0.000 0.857 118 V HN 0.058 nan 8.190 nan 0.000 0.478 119 I N 0.373 120.945 120.570 0.003 0.000 2.194 119 I HA -0.201 3.970 4.170 0.002 0.000 0.246 119 I C 2.726 178.797 176.117 -0.077 0.000 1.093 119 I CA 1.770 63.066 61.300 -0.008 0.000 1.355 119 I CB -0.320 37.702 38.000 0.036 0.000 1.046 119 I HN 0.305 nan 8.210 nan 0.000 0.413 120 L N 0.669 121.774 121.223 -0.196 0.000 2.005 120 L HA -0.219 4.122 4.340 0.002 0.000 0.207 120 L C 2.345 178.911 176.870 -0.507 0.000 1.072 120 L CA 1.985 56.548 54.840 -0.462 0.000 0.744 120 L CB -1.466 40.059 42.059 -0.889 0.000 0.895 120 L HN 0.330 nan 8.230 nan 0.000 0.433 121 N N 0.175 118.643 118.700 -0.387 0.000 2.025 121 N HA -0.231 4.510 4.740 0.002 0.000 0.194 121 N C 1.642 177.235 175.510 0.140 0.000 1.044 121 N CA 1.709 54.834 53.050 0.125 0.000 0.851 121 N CB 0.025 38.694 38.487 0.302 0.000 1.036 121 N HN 0.184 nan 8.380 nan 0.000 0.422 122 E N -0.104 120.112 120.200 0.027 0.000 2.204 122 E HA -0.100 4.251 4.350 0.002 0.000 0.194 122 E C 1.918 178.467 176.600 -0.084 0.000 0.989 122 E CA 0.228 56.607 56.400 -0.035 0.000 0.824 122 E CB -0.416 29.276 29.700 -0.013 0.000 0.756 122 E HN 0.351 nan 8.360 nan 0.000 0.477 123 L N 0.706 121.884 121.223 -0.075 0.000 2.131 123 L HA -0.104 4.237 4.340 0.002 0.000 0.210 123 L C 2.353 179.189 176.870 -0.056 0.000 1.092 123 L CA 1.383 56.150 54.840 -0.121 0.000 0.759 123 L CB -0.433 41.503 42.059 -0.205 0.000 0.903 123 L HN -0.008 nan 8.230 nan 0.000 0.435 124 S N -1.065 114.696 115.700 0.101 0.000 2.406 124 S HA -0.149 4.322 4.470 0.002 0.000 0.224 124 S C 2.252 176.710 174.600 -0.237 0.000 1.030 124 S CA 0.764 59.092 58.200 0.213 0.000 0.958 124 S CB -0.222 63.281 63.200 0.505 0.000 0.811 124 S HN 0.468 nan 8.310 nan 0.000 0.489 125 R N 0.675 120.808 120.500 -0.612 0.000 2.119 125 R HA -0.107 4.234 4.340 0.002 0.000 0.246 125 R C 2.159 178.125 176.300 -0.557 0.000 1.146 125 R CA 1.863 57.342 56.100 -1.034 0.000 0.962 125 R CB -0.547 29.374 30.300 -0.632 0.000 0.863 125 R HN 0.444 nan 8.270 nan 0.000 0.442 126 L N 0.136 121.179 121.223 -0.301 0.000 2.017 126 L HA -0.166 4.174 4.340 0.002 0.000 0.208 126 L C 2.802 179.603 176.870 -0.116 0.000 1.073 126 L CA 1.388 56.125 54.840 -0.172 0.000 0.745 126 L CB -0.750 41.225 42.059 -0.140 0.000 0.894 126 L HN 0.374 nan 8.230 nan 0.000 0.432 127 A N -0.504 122.257 122.820 -0.098 0.000 1.917 127 A HA -0.293 4.028 4.320 0.002 0.000 0.219 127 A C 2.568 180.137 177.584 -0.025 0.000 1.182 127 A CA 2.348 54.357 52.037 -0.047 0.000 0.633 127 A CB -0.821 18.219 19.000 0.067 0.000 0.819 127 A HN 0.428 nan 8.150 nan 0.000 0.448 128 S N -1.117 114.562 115.700 -0.035 0.000 2.356 128 S HA -0.229 4.242 4.470 0.002 0.000 0.223 128 S C 1.888 176.609 174.600 0.201 0.000 1.032 128 S CA 1.656 59.893 58.200 0.062 0.000 1.005 128 S CB -0.648 62.566 63.200 0.024 0.000 0.867 128 S HN 0.777 nan 8.310 nan 0.000 0.449 129 H N 0.242 119.317 119.070 0.009 0.000 2.395 129 H HA 0.110 4.667 4.556 0.002 0.000 0.299 129 H C 2.095 177.485 175.328 0.104 0.000 1.070 129 H CA 1.119 57.218 56.048 0.084 0.000 1.356 129 H CB -0.081 29.697 29.762 0.026 0.000 1.401 129 H HN 0.305 nan 8.280 nan 0.000 0.524 130 L N 0.480 121.784 121.223 0.134 0.000 2.189 130 L HA -0.195 4.146 4.340 0.002 0.000 0.214 130 L C 2.149 179.126 176.870 0.177 0.000 1.097 130 L CA 0.626 55.506 54.840 0.067 0.000 0.764 130 L CB -0.124 41.892 42.059 -0.073 0.000 0.900 130 L HN 0.184 nan 8.230 nan 0.000 0.436 131 V N -1.110 118.922 119.914 0.196 0.000 2.379 131 V HA -0.235 3.886 4.120 0.002 0.000 0.243 131 V C 2.091 178.425 176.094 0.399 0.000 1.035 131 V CA 1.265 63.786 62.300 0.368 0.000 1.035 131 V CB -0.524 31.467 31.823 0.280 0.000 0.673 131 V HN 0.336 nan 8.190 nan 0.000 0.457 132 F N 1.442 121.495 119.950 0.171 0.000 2.091 132 F HA -0.258 4.271 4.527 0.003 0.000 0.299 132 F C 2.020 177.866 175.800 0.076 0.000 1.103 132 F CA 2.214 60.269 58.000 0.093 0.000 1.228 132 F CB -0.493 38.502 39.000 -0.009 0.000 0.984 132 F HN 0.172 nan 8.300 nan 0.000 0.477 133 L N 0.690 121.869 121.223 -0.074 0.000 2.201 133 L HA 0.139 4.480 4.340 0.002 0.000 0.212 133 L C 2.295 179.219 176.870 0.090 0.000 1.105 133 L CA 1.981 56.712 54.840 -0.182 0.000 0.775 133 L CB -1.467 40.593 42.059 0.003 0.000 0.913 133 L HN 0.191 nan 8.230 nan 0.000 0.440 134 G N -0.920 108.064 108.800 0.306 0.000 2.434 134 G HA2 -0.281 3.680 3.960 0.002 0.000 0.214 134 G HA3 -0.281 3.680 3.960 0.002 0.000 0.214 134 G C 1.478 176.475 174.900 0.161 0.000 1.202 134 G CA 1.236 46.626 45.100 0.483 0.000 0.788 134 G HN 0.504 nan 8.290 nan 0.000 0.539 135 T N -1.064 113.547 114.554 0.095 0.000 2.929 135 T HA 0.079 4.430 4.350 0.002 0.000 0.271 135 T C 2.322 176.987 174.700 -0.059 0.000 1.085 135 T CA 1.528 63.615 62.100 -0.021 0.000 1.125 135 T CB -0.321 68.579 68.868 0.054 0.000 0.874 135 T HN 0.264 nan 8.240 nan 0.000 0.494 136 G N 1.021 109.768 108.800 -0.089 0.000 2.430 136 G HA2 0.110 4.071 3.960 0.002 0.000 0.216 136 G HA3 0.110 4.071 3.960 0.002 0.000 0.216 136 G C 1.463 176.489 174.900 0.210 0.000 1.146 136 G CA 0.181 45.273 45.100 -0.013 0.000 0.793 136 G HN 0.497 nan 8.290 nan 0.000 0.537 137 L N -0.406 120.949 121.223 0.221 0.000 2.056 137 L HA -0.010 4.331 4.340 0.002 0.000 0.207 137 L C 2.750 179.586 176.870 -0.056 0.000 1.078 137 L CA 0.377 55.314 54.840 0.163 0.000 0.749 137 L CB -0.316 41.897 42.059 0.257 0.000 0.901 137 L HN 0.153 nan 8.230 nan 0.000 0.433 138 L N -0.445 120.661 121.223 -0.194 0.000 1.988 138 L HA -0.234 4.107 4.340 0.002 0.000 0.207 138 L C 2.205 179.001 176.870 -0.123 0.000 1.071 138 L CA 1.723 56.412 54.840 -0.253 0.000 0.744 138 L CB -0.923 40.887 42.059 -0.414 0.000 0.893 138 L HN 0.189 nan 8.230 nan 0.000 0.433 139 D N -0.508 119.846 120.400 -0.077 0.000 2.280 139 D HA -0.229 4.412 4.640 0.002 0.000 0.206 139 D C 2.207 178.520 176.300 0.021 0.000 0.988 139 D CA 1.237 55.233 54.000 -0.008 0.000 0.886 139 D CB 0.098 40.916 40.800 0.030 0.000 0.914 139 D HN 0.297 nan 8.370 nan 0.000 0.473 140 L N -1.397 119.809 121.223 -0.028 0.000 2.121 140 L HA 0.135 4.476 4.340 0.002 0.000 0.200 140 L C 1.706 178.541 176.870 -0.058 0.000 1.077 140 L CA 1.790 56.592 54.840 -0.064 0.000 0.766 140 L CB 0.133 42.068 42.059 -0.207 0.000 0.931 140 L HN 0.196 nan 8.230 nan 0.000 0.452 141 G N -1.445 107.306 108.800 -0.082 0.000 3.345 141 G HA2 -0.143 3.818 3.960 0.002 0.000 0.199 141 G HA3 -0.143 3.818 3.960 0.002 0.000 0.199 141 G C 0.481 175.344 174.900 -0.062 0.000 1.057 141 G CA -0.109 44.952 45.100 -0.064 0.000 0.865 141 G HN 0.620 nan 8.290 nan 0.000 0.449 142 A N 1.207 123.978 122.820 -0.083 0.000 2.569 142 A HA 0.507 4.828 4.320 0.002 0.000 0.288 142 A C 1.398 179.000 177.584 0.028 0.000 1.326 142 A CA 1.000 53.009 52.037 -0.047 0.000 0.978 142 A CB -0.236 18.709 19.000 -0.091 0.000 1.054 142 A HN 0.958 nan 8.150 nan 0.000 0.558 143 L N 2.310 123.556 121.223 0.037 0.000 2.253 143 L HA -0.024 4.317 4.340 0.002 0.000 0.205 143 L C 2.400 179.354 176.870 0.140 0.000 1.078 143 L CA 1.412 56.316 54.840 0.107 0.000 0.805 143 L CB -0.047 42.038 42.059 0.043 0.000 0.963 143 L HN 0.717 nan 8.230 nan 0.000 0.459 144 T N 0.687 115.274 114.554 0.054 0.000 2.746 144 T HA -0.090 4.261 4.350 0.002 0.000 0.267 144 T C -0.776 173.961 174.700 0.062 0.000 1.039 144 T CA 1.429 63.538 62.100 0.016 0.000 1.142 144 T CB -0.971 67.897 68.868 0.000 0.000 0.866 144 T HN 0.288 nan 8.240 nan 0.000 0.444 145 P HA 0.017 nan 4.420 nan 0.000 0.216 145 P C 1.274 178.726 177.300 0.254 0.000 1.153 145 P CA 0.493 63.690 63.100 0.161 0.000 0.844 145 P CB -0.148 31.549 31.700 -0.005 0.000 0.787 146 F N -0.269 119.748 119.950 0.111 0.000 2.202 146 F HA -0.173 4.353 4.527 -0.001 0.000 0.301 146 F C 1.876 177.771 175.800 0.159 0.000 1.082 146 F CA 1.032 59.109 58.000 0.128 0.000 1.313 146 F CB -0.966 38.053 39.000 0.031 0.000 1.024 146 F HN -0.187 nan 8.300 nan 0.000 0.495 147 F N -0.617 119.231 119.950 -0.170 0.000 2.408 147 F HA -0.149 4.380 4.527 0.004 0.000 0.300 147 F C 1.295 176.958 175.800 -0.229 0.000 1.090 147 F CA 1.123 58.933 58.000 -0.316 0.000 1.427 147 F CB -0.535 38.294 39.000 -0.284 0.000 1.070 147 F HN 0.013 nan 8.300 nan 0.000 0.549 148 Y N -0.539 119.730 120.300 -0.052 0.000 2.239 148 Y HA 0.222 4.771 4.550 -0.002 0.000 0.293 148 Y C 2.591 178.494 175.900 0.005 0.000 1.126 148 Y CA 0.672 58.745 58.100 -0.045 0.000 1.128 148 Y CB -1.441 37.089 38.460 0.117 0.000 1.066 148 Y HN -0.014 nan 8.280 nan 0.000 0.516 149 A N 0.279 123.317 122.820 0.363 0.000 1.909 149 A HA -0.278 4.043 4.320 0.002 0.000 0.221 149 A C 1.368 179.080 177.584 0.214 0.000 1.223 149 A CA 2.007 54.252 52.037 0.347 0.000 0.658 149 A CB -1.482 17.840 19.000 0.537 0.000 0.831 149 A HN 0.360 nan 8.150 nan 0.000 0.462 150 F N -0.623 119.199 119.950 -0.213 0.000 2.913 150 F HA 0.303 4.831 4.527 0.002 0.000 0.293 150 F C 1.722 177.374 175.800 -0.246 0.000 1.223 150 F CA 0.377 58.233 58.000 -0.239 0.000 1.393 150 F CB -0.200 38.577 39.000 -0.370 0.000 1.102 150 F HN 0.325 nan 8.300 nan 0.000 0.524 151 R N -0.842 119.611 120.500 -0.077 0.000 2.756 151 R HA 0.060 4.401 4.340 0.002 0.000 0.170 151 R C 1.603 177.852 176.300 -0.084 0.000 0.800 151 R CA 0.291 56.324 56.100 -0.112 0.000 1.052 151 R CB 0.129 30.357 30.300 -0.119 0.000 1.437 151 R HN 0.060 nan 8.270 nan 0.000 0.607 152 E N 1.276 121.444 120.200 -0.053 0.000 2.097 152 E HA -0.198 4.153 4.350 0.002 0.000 0.196 152 E C 1.875 178.399 176.600 -0.127 0.000 1.000 152 E CA 1.749 58.100 56.400 -0.082 0.000 0.804 152 E CB -0.127 29.524 29.700 -0.082 0.000 0.740 152 E HN 0.186 nan 8.360 nan 0.000 0.454 153 R N 0.770 121.173 120.500 -0.161 0.000 2.113 153 R HA -0.197 4.144 4.340 0.002 0.000 0.231 153 R C 1.887 178.075 176.300 -0.185 0.000 1.129 153 R CA 1.765 57.729 56.100 -0.226 0.000 0.915 153 R CB -0.213 29.835 30.300 -0.419 0.000 0.837 153 R HN 0.101 nan 8.270 nan 0.000 0.430 154 E N -0.102 119.996 120.200 -0.171 0.000 2.219 154 E HA -0.171 4.180 4.350 0.002 0.000 0.198 154 E C 1.873 178.415 176.600 -0.096 0.000 0.998 154 E CA 1.819 58.146 56.400 -0.123 0.000 0.818 154 E CB -0.202 29.440 29.700 -0.096 0.000 0.741 154 E HN 0.526 nan 8.360 nan 0.000 0.477 155 T N 1.196 115.688 114.554 -0.103 0.000 2.812 155 T HA -0.012 4.339 4.350 0.002 0.000 0.264 155 T C 2.150 176.776 174.700 -0.124 0.000 1.042 155 T CA 0.600 62.645 62.100 -0.091 0.000 1.140 155 T CB -0.073 68.740 68.868 -0.092 0.000 0.870 155 T HN 0.120 nan 8.240 nan 0.000 0.445 156 I N 0.999 121.468 120.570 -0.168 0.000 2.142 156 I HA -0.124 4.047 4.170 0.002 0.000 0.240 156 I C 2.333 178.281 176.117 -0.281 0.000 1.078 156 I CA 1.245 62.385 61.300 -0.267 0.000 1.343 156 I CB -0.488 37.360 38.000 -0.253 0.000 1.046 156 I HN 0.178 nan 8.210 nan 0.000 0.405 157 L N 0.294 121.460 121.223 -0.095 0.000 2.081 157 L HA -0.274 4.067 4.340 0.002 0.000 0.212 157 L C 2.209 179.124 176.870 0.075 0.000 1.080 157 L CA 1.295 56.196 54.840 0.101 0.000 0.754 157 L CB -0.793 41.260 42.059 -0.009 0.000 0.893 157 L HN 0.292 nan 8.230 nan 0.000 0.433 158 D N 0.212 120.607 120.400 -0.009 0.000 2.104 158 D HA -0.168 4.473 4.640 0.002 0.000 0.194 158 D C 2.408 178.765 176.300 0.096 0.000 0.994 158 D CA 1.110 55.109 54.000 -0.002 0.000 0.830 158 D CB -0.167 40.632 40.800 -0.002 0.000 0.959 158 D HN 0.231 nan 8.370 nan 0.000 0.452 159 L N -0.231 121.030 121.223 0.062 0.000 2.043 159 L HA -0.229 4.112 4.340 0.002 0.000 0.212 159 L C 2.425 179.411 176.870 0.193 0.000 1.075 159 L CA 0.939 55.849 54.840 0.115 0.000 0.752 159 L CB -0.487 41.441 42.059 -0.218 0.000 0.891 159 L HN 0.014 nan 8.230 nan 0.000 0.432 160 F N 0.426 120.431 119.950 0.092 0.000 2.031 160 F HA -0.254 4.275 4.527 0.002 0.000 0.295 160 F C 2.675 178.496 175.800 0.035 0.000 1.133 160 F CA 1.735 59.714 58.000 -0.035 0.000 1.188 160 F CB -0.915 38.034 39.000 -0.085 0.000 0.974 160 F HN 0.146 nan 8.300 nan 0.000 0.473 161 E N -1.009 119.350 120.200 0.265 0.000 2.284 161 E HA -0.284 4.067 4.350 0.002 0.000 0.200 161 E C 2.173 178.818 176.600 0.075 0.000 1.008 161 E CA 1.633 58.103 56.400 0.116 0.000 0.829 161 E CB -0.425 29.274 29.700 -0.002 0.000 0.744 161 E HN 0.555 nan 8.360 nan 0.000 0.491 162 W N -0.384 120.965 121.300 0.082 0.000 2.378 162 W HA -0.179 4.481 4.660 0.001 0.000 0.313 162 W C 2.445 178.989 176.519 0.042 0.000 1.197 162 W CA 1.207 58.596 57.345 0.072 0.000 1.304 162 W CB -0.215 29.308 29.460 0.106 0.000 1.148 162 W HN 0.075 nan 8.180 nan 0.000 0.494 163 V N -0.163 119.911 119.914 0.265 0.000 2.500 163 V HA -0.127 3.994 4.120 0.002 0.000 0.243 163 V C 1.979 177.998 176.094 -0.125 0.000 1.039 163 V CA 2.436 64.710 62.300 -0.044 0.000 1.053 163 V CB -0.605 30.950 31.823 -0.447 0.000 0.695 163 V HN 0.255 nan 8.190 nan 0.000 0.463 164 T N -3.332 111.164 114.554 -0.097 0.000 3.060 164 T HA 0.319 4.670 4.350 0.002 0.000 0.249 164 T C 1.650 176.425 174.700 0.124 0.000 1.079 164 T CA 0.880 62.980 62.100 -0.001 0.000 1.013 164 T CB 0.361 69.255 68.868 0.043 0.000 0.975 164 T HN 1.516 nan 8.240 nan 0.000 0.518 165 G N 0.914 109.783 108.800 0.116 0.000 2.155 165 G HA2 -0.230 3.731 3.960 0.002 0.000 0.257 165 G HA3 -0.230 3.731 3.960 0.002 0.000 0.257 165 G C -0.236 174.732 174.900 0.113 0.000 0.983 165 G CA 0.296 45.456 45.100 0.098 0.000 0.676 165 G HN 0.709 nan 8.290 nan 0.000 0.528 166 Q N -1.473 118.432 119.800 0.175 0.000 2.359 166 Q HA 0.471 4.812 4.340 0.002 0.000 0.274 166 Q C 1.028 177.198 176.000 0.284 0.000 1.074 166 Q CA -1.229 54.686 55.803 0.186 0.000 0.810 166 Q CB 1.316 30.151 28.738 0.161 0.000 1.342 166 Q HN 0.058 nan 8.270 nan 0.000 0.427 167 R N 0.708 121.371 120.500 0.272 0.000 2.083 167 R HA -0.072 4.269 4.340 0.002 0.000 0.237 167 R C 0.549 177.109 176.300 0.434 0.000 1.137 167 R CA 1.719 58.026 56.100 0.345 0.000 0.951 167 R CB -0.161 30.392 30.300 0.421 0.000 0.851 167 R HN 0.479 nan 8.270 nan 0.000 0.434 168 F N -4.512 115.301 119.950 -0.229 0.000 2.779 168 F HA 0.401 4.929 4.527 0.002 0.000 0.316 168 F C 0.222 175.579 175.800 -0.738 0.000 1.164 168 F CA -2.127 55.443 58.000 -0.716 0.000 0.924 168 F CB 0.114 38.727 39.000 -0.644 0.000 1.348 168 F HN 0.113 nan 8.300 nan 0.000 0.467 169 H N -1.110 117.651 119.070 -0.514 0.000 3.109 169 H HA -0.154 4.403 4.556 0.002 0.000 0.245 169 H C -0.042 175.147 175.328 -0.233 0.000 1.187 169 H CA 0.677 56.537 56.048 -0.313 0.000 1.136 169 H CB -2.443 27.173 29.762 -0.243 0.000 1.243 169 H HN 0.807 nan 8.280 nan 0.000 0.328 170 H N 0.716 119.850 119.070 0.106 0.000 3.214 170 H HA -0.035 4.522 4.556 0.001 0.000 0.291 170 H C 0.938 176.373 175.328 0.179 0.000 0.926 170 H CA 0.542 56.659 56.048 0.116 0.000 1.409 170 H CB 0.317 30.114 29.762 0.059 0.000 1.406 170 H HN 0.410 nan 8.280 nan 0.000 0.561 171 N N 3.015 121.879 118.700 0.272 0.000 3.034 171 N HA -0.021 4.720 4.740 0.002 0.000 0.265 171 N C -0.251 175.448 175.510 0.316 0.000 1.166 171 N CA -0.123 53.061 53.050 0.223 0.000 1.081 171 N CB 0.143 38.723 38.487 0.154 0.000 1.378 171 N HN 0.497 nan 8.380 nan 0.000 0.520 172 Y N 2.784 123.200 120.300 0.193 0.000 2.673 172 Y HA 0.345 4.896 4.550 0.002 0.000 0.278 172 Y C 0.695 176.696 175.900 0.168 0.000 1.127 172 Y CA -0.163 58.053 58.100 0.195 0.000 1.261 172 Y CB 0.266 38.880 38.460 0.256 0.000 1.412 172 Y HN 0.244 nan 8.280 nan 0.000 0.496 173 I N 3.081 123.758 120.570 0.178 0.000 2.668 173 I HA 0.036 4.207 4.170 0.002 0.000 0.285 173 I C -0.301 175.807 176.117 -0.014 0.000 1.168 173 I CA 0.180 61.491 61.300 0.018 0.000 1.424 173 I CB 0.063 37.988 38.000 -0.125 0.000 1.377 173 I HN 0.113 nan 8.210 nan 0.000 0.560 174 R N 6.491 126.965 120.500 -0.044 0.000 2.832 174 R HA 0.359 4.700 4.340 0.002 0.000 0.271 174 R C 0.896 177.203 176.300 0.011 0.000 0.996 174 R CA -0.829 55.271 56.100 0.000 0.000 0.977 174 R CB 1.402 31.686 30.300 -0.026 0.000 1.168 174 R HN 0.537 nan 8.270 nan 0.000 0.482 175 I N 0.956 121.560 120.570 0.057 0.000 2.118 175 I HA -0.213 3.958 4.170 0.002 0.000 0.241 175 I C 2.031 178.122 176.117 -0.044 0.000 1.070 175 I CA 2.281 63.587 61.300 0.011 0.000 1.327 175 I CB -1.372 36.655 38.000 0.046 0.000 1.034 175 I HN 0.809 nan 8.210 nan 0.000 0.405 176 G N -1.139 107.641 108.800 -0.034 0.000 2.509 176 G HA2 0.214 4.175 3.960 0.002 0.000 0.218 176 G HA3 0.214 4.175 3.960 0.002 0.000 0.218 176 G C 1.155 176.029 174.900 -0.044 0.000 1.124 176 G CA 1.059 46.128 45.100 -0.052 0.000 0.776 176 G HN 0.653 nan 8.290 nan 0.000 0.547 177 G N -1.335 107.440 108.800 -0.042 0.000 2.302 177 G HA2 0.358 4.319 3.960 0.002 0.000 0.108 177 G HA3 0.358 4.319 3.960 0.002 0.000 0.108 177 G C -0.546 174.306 174.900 -0.081 0.000 0.930 177 G CA 0.638 45.712 45.100 -0.043 0.000 1.168 177 G HN 1.249 nan 8.290 nan 0.000 0.398 178 V N -1.058 118.763 119.914 -0.156 0.000 3.049 178 V HA 0.752 4.873 4.120 0.002 0.000 0.309 178 V C 1.279 177.156 176.094 -0.362 0.000 1.148 178 V CA 0.492 62.569 62.300 -0.372 0.000 0.990 178 V CB 1.739 33.181 31.823 -0.635 0.000 1.039 178 V HN 0.825 nan 8.190 nan 0.000 0.430 179 K N 1.753 121.882 120.400 -0.452 0.000 2.032 179 K HA -0.153 4.168 4.320 0.002 0.000 0.218 179 K C 0.587 177.127 176.600 -0.101 0.000 1.054 179 K CA 2.626 58.798 56.287 -0.191 0.000 0.941 179 K CB 0.028 32.486 32.500 -0.070 0.000 0.720 179 K HN 0.998 nan 8.250 nan 0.000 0.449 180 E N -0.530 119.615 120.200 -0.093 0.000 2.407 180 E HA 0.121 4.472 4.350 0.002 0.000 0.279 180 E C -1.511 175.160 176.600 0.119 0.000 1.012 180 E CA -1.070 55.356 56.400 0.044 0.000 0.800 180 E CB 0.779 30.545 29.700 0.110 0.000 1.276 180 E HN -0.024 nan 8.360 nan 0.000 0.452 181 D N 1.431 121.883 120.400 0.087 0.000 2.443 181 D HA 0.078 4.719 4.640 0.002 0.000 0.234 181 D C -0.206 176.167 176.300 0.122 0.000 1.172 181 D CA 0.046 54.100 54.000 0.090 0.000 0.878 181 D CB 0.549 41.379 40.800 0.049 0.000 1.204 181 D HN 0.368 nan 8.370 nan 0.000 0.453 182 L N 2.364 123.629 121.223 0.069 0.000 2.395 182 L HA 0.480 4.821 4.340 0.002 0.000 0.269 182 L C -1.967 174.908 176.870 0.009 0.000 1.133 182 L CA -1.562 53.262 54.840 -0.026 0.000 0.812 182 L CB -0.640 41.270 42.059 -0.250 0.000 1.125 182 L HN 0.206 nan 8.230 nan 0.000 0.452 183 P HA 0.094 nan 4.420 nan 0.000 0.270 183 P C -0.270 177.032 177.300 0.003 0.000 1.223 183 P CA -0.267 62.858 63.100 0.042 0.000 0.785 183 P CB 0.754 32.511 31.700 0.094 0.000 0.923 184 E N 0.597 120.783 120.200 -0.024 0.000 2.265 184 E HA -0.177 4.174 4.350 0.002 0.000 0.196 184 E C 1.176 177.692 176.600 -0.140 0.000 0.996 184 E CA 1.414 57.781 56.400 -0.055 0.000 0.832 184 E CB -0.489 29.184 29.700 -0.044 0.000 0.756 184 E HN 0.607 nan 8.360 nan 0.000 0.491 185 E N -0.598 119.446 120.200 -0.260 0.000 2.489 185 E HA 0.025 4.376 4.350 0.002 0.000 0.193 185 E C 0.891 177.113 176.600 -0.630 0.000 1.057 185 E CA -0.091 55.981 56.400 -0.546 0.000 0.866 185 E CB -0.049 29.055 29.700 -0.993 0.000 0.916 185 E HN 0.248 nan 8.360 nan 0.000 0.500 186 F N 0.494 120.167 119.950 -0.461 0.000 2.118 186 F HA -0.128 4.400 4.527 0.002 0.000 0.293 186 F C 1.828 177.460 175.800 -0.281 0.000 1.102 186 F CA 0.882 58.660 58.000 -0.371 0.000 1.247 186 F CB -0.195 38.678 39.000 -0.212 0.000 1.017 186 F HN -0.167 nan 8.300 nan 0.000 0.475 187 V N 2.763 122.592 119.914 -0.141 0.000 2.231 187 V HA -0.269 3.852 4.120 0.002 0.000 0.248 187 V C -0.195 175.726 176.094 -0.289 0.000 1.054 187 V CA 2.485 64.669 62.300 -0.194 0.000 1.015 187 V CB -2.480 29.312 31.823 -0.052 0.000 0.638 187 V HN 0.278 nan 8.190 nan 0.000 0.444 188 P HA -0.206 nan 4.420 nan 0.000 0.213 188 P C 1.427 178.568 177.300 -0.266 0.000 1.170 188 P CA 1.750 64.716 63.100 -0.223 0.000 0.902 188 P CB -0.125 31.454 31.700 -0.201 0.000 0.789 189 E N -0.244 119.747 120.200 -0.348 0.000 2.118 189 E HA -0.166 4.185 4.350 0.002 0.000 0.195 189 E C 2.120 178.512 176.600 -0.348 0.000 0.992 189 E CA 0.740 56.948 56.400 -0.320 0.000 0.804 189 E CB -1.066 28.413 29.700 -0.368 0.000 0.741 189 E HN 0.213 nan 8.360 nan 0.000 0.458 190 L N 1.367 122.285 121.223 -0.508 0.000 2.275 190 L HA -0.116 4.224 4.340 0.002 0.000 0.215 190 L C 1.817 178.506 176.870 -0.301 0.000 1.119 190 L CA 1.588 56.130 54.840 -0.497 0.000 0.790 190 L CB -0.110 41.522 42.059 -0.712 0.000 0.919 190 L HN -0.080 nan 8.230 nan 0.000 0.443 191 K N -0.630 119.620 120.400 -0.250 0.000 2.076 191 K HA -0.092 4.229 4.320 0.002 0.000 0.204 191 K C 2.044 178.561 176.600 -0.138 0.000 1.051 191 K CA 1.091 57.277 56.287 -0.169 0.000 0.949 191 K CB -0.049 32.365 32.500 -0.144 0.000 0.726 191 K HN 0.294 nan 8.250 nan 0.000 0.443 192 K N 1.005 121.320 120.400 -0.142 0.000 2.147 192 K HA -0.111 4.210 4.320 0.002 0.000 0.205 192 K C 2.075 178.614 176.600 -0.102 0.000 1.049 192 K CA 0.921 57.144 56.287 -0.107 0.000 0.936 192 K CB -0.038 32.405 32.500 -0.096 0.000 0.722 192 K HN 0.137 nan 8.250 nan 0.000 0.446 193 L N 0.464 121.608 121.223 -0.131 0.000 2.375 193 L HA -0.004 4.337 4.340 0.002 0.000 0.215 193 L C 1.413 178.214 176.870 -0.115 0.000 1.108 193 L CA 0.391 55.157 54.840 -0.124 0.000 0.830 193 L CB 0.249 42.213 42.059 -0.159 0.000 0.959 193 L HN 0.046 nan 8.230 nan 0.000 0.457 194 L N -0.373 120.777 121.223 -0.122 0.000 2.592 194 L HA 0.072 4.413 4.340 0.002 0.000 0.227 194 L C 1.940 178.768 176.870 -0.071 0.000 1.127 194 L CA 0.935 55.715 54.840 -0.101 0.000 0.884 194 L CB -0.144 41.846 42.059 -0.114 0.000 1.065 194 L HN 0.291 nan 8.230 nan 0.000 0.457 195 E N -1.952 118.208 120.200 -0.067 0.000 2.389 195 E HA -0.042 4.309 4.350 0.002 0.000 0.199 195 E C 1.883 178.468 176.600 -0.026 0.000 0.978 195 E CA 0.406 56.776 56.400 -0.049 0.000 0.912 195 E CB 0.614 30.280 29.700 -0.057 0.000 0.907 195 E HN 0.243 nan 8.360 nan 0.000 0.494 196 V N 0.301 120.205 119.914 -0.016 0.000 2.490 196 V HA -0.025 4.096 4.120 0.002 0.000 0.238 196 V C 2.034 178.191 176.094 0.105 0.000 1.056 196 V CA 0.645 62.969 62.300 0.040 0.000 1.075 196 V CB -0.188 31.642 31.823 0.011 0.000 0.746 196 V HN 0.266 nan 8.190 nan 0.000 0.479 197 L N 0.530 121.756 121.223 0.006 0.000 2.103 197 L HA -0.170 4.171 4.340 0.002 0.000 0.215 197 L C 0.026 176.890 176.870 -0.011 0.000 1.080 197 L CA 2.162 56.979 54.840 -0.039 0.000 0.764 197 L CB -2.179 39.827 42.059 -0.089 0.000 0.890 197 L HN 0.347 nan 8.230 nan 0.000 0.435 198 P HA -0.261 nan 4.420 nan 0.000 0.219 198 P C 1.398 178.741 177.300 0.072 0.000 1.158 198 P CA 2.109 65.231 63.100 0.036 0.000 0.895 198 P CB -0.204 31.520 31.700 0.040 0.000 0.792 199 H N -1.141 117.922 119.070 -0.012 0.000 2.451 199 H HA 0.133 4.689 4.556 -0.000 0.000 0.294 199 H C 1.754 177.104 175.328 0.036 0.000 1.028 199 H CA 0.759 56.813 56.048 0.011 0.000 1.349 199 H CB -0.747 29.019 29.762 0.008 0.000 1.444 199 H HN -0.039 nan 8.280 nan 0.000 0.538 200 R N 0.447 120.523 120.500 -0.707 0.000 2.425 200 R HA -0.015 4.326 4.340 0.002 0.000 0.206 200 R C 0.529 176.727 176.300 -0.170 0.000 1.117 200 R CA 0.385 56.152 56.100 -0.556 0.000 1.098 200 R CB -0.324 29.840 30.300 -0.225 0.000 0.843 200 R HN 0.266 nan 8.270 nan 0.000 0.480 201 I N -0.551 119.933 120.570 -0.144 0.000 3.300 201 I HA -0.053 4.118 4.170 0.002 0.000 0.279 201 I C 1.377 177.526 176.117 0.054 0.000 1.172 201 I CA 0.685 61.935 61.300 -0.084 0.000 1.431 201 I CB 0.017 37.963 38.000 -0.090 0.000 1.240 201 I HN 0.074 nan 8.210 nan 0.000 0.453 202 D N 0.714 121.124 120.400 0.016 0.000 2.149 202 D HA -0.260 4.381 4.640 0.002 0.000 0.198 202 D C 1.874 178.227 176.300 0.088 0.000 0.990 202 D CA 1.207 55.239 54.000 0.054 0.000 0.839 202 D CB -0.127 40.702 40.800 0.049 0.000 0.948 202 D HN 0.453 nan 8.370 nan 0.000 0.460 203 E N -0.424 119.812 120.200 0.060 0.000 2.204 203 E HA -0.190 4.161 4.350 0.002 0.000 0.195 203 E C 1.471 178.134 176.600 0.105 0.000 0.990 203 E CA 0.732 57.167 56.400 0.059 0.000 0.821 203 E CB 0.037 29.724 29.700 -0.023 0.000 0.750 203 E HN 0.325 nan 8.360 nan 0.000 0.477 204 Y N 0.217 120.540 120.300 0.038 0.000 2.475 204 Y HA 0.027 4.580 4.550 0.005 0.000 0.289 204 Y C 2.147 178.152 175.900 0.174 0.000 1.121 204 Y CA 0.984 59.161 58.100 0.130 0.000 1.257 204 Y CB 0.070 38.568 38.460 0.063 0.000 1.026 204 Y HN 0.127 nan 8.280 nan 0.000 0.555 205 E N 0.146 120.488 120.200 0.238 0.000 2.086 205 E HA -0.055 4.296 4.350 0.002 0.000 0.190 205 E C 2.101 178.810 176.600 0.182 0.000 0.975 205 E CA 0.695 57.197 56.400 0.170 0.000 0.813 205 E CB -0.104 29.656 29.700 0.100 0.000 0.768 205 E HN 0.274 nan 8.360 nan 0.000 0.457 206 A N 0.755 123.661 122.820 0.144 0.000 2.259 206 A HA -0.045 4.275 4.320 0.002 0.000 0.212 206 A C 1.790 179.440 177.584 0.110 0.000 1.178 206 A CA 0.646 52.753 52.037 0.116 0.000 0.734 206 A CB -0.259 18.793 19.000 0.085 0.000 0.774 206 A HN 0.328 nan 8.150 nan 0.000 0.481 207 L N -3.350 117.964 121.223 0.151 0.000 2.547 207 L HA 0.211 4.552 4.340 0.002 0.000 0.218 207 L C 1.516 178.406 176.870 0.033 0.000 1.048 207 L CA 0.418 55.299 54.840 0.068 0.000 0.859 207 L CB 0.061 42.128 42.059 0.013 0.000 1.128 207 L HN 0.381 nan 8.230 nan 0.000 0.483 208 F N -0.326 119.658 119.950 0.056 0.000 2.754 208 F HA 0.200 4.730 4.527 0.004 0.000 0.297 208 F C 2.056 177.980 175.800 0.206 0.000 1.122 208 F CA 0.581 58.626 58.000 0.075 0.000 1.400 208 F CB -0.261 38.731 39.000 -0.014 0.000 1.117 208 F HN -0.034 nan 8.300 nan 0.000 0.587 209 A N 0.827 123.865 122.820 0.363 0.000 1.972 209 A HA -0.034 4.287 4.320 0.002 0.000 0.219 209 A C 1.797 179.618 177.584 0.394 0.000 1.467 209 A CA 0.807 53.108 52.037 0.440 0.000 0.631 209 A CB -0.908 18.268 19.000 0.294 0.000 1.143 209 A HN 0.329 nan 8.150 nan 0.000 0.502 210 E N 0.638 120.989 120.200 0.251 0.000 2.533 210 E HA 0.086 4.437 4.350 0.002 0.000 0.201 210 E C 0.548 177.232 176.600 0.140 0.000 1.097 210 E CA 0.625 57.133 56.400 0.180 0.000 0.887 210 E CB -0.317 29.453 29.700 0.116 0.000 0.855 210 E HN 0.223 nan 8.360 nan 0.000 0.540 211 S N 1.425 117.224 115.700 0.166 0.000 2.565 211 S HA 0.156 4.627 4.470 0.002 0.000 0.274 211 S C -1.226 173.457 174.600 0.138 0.000 1.309 211 S CA -1.729 56.526 58.200 0.093 0.000 1.043 211 S CB 0.907 64.112 63.200 0.008 0.000 0.939 211 S HN 0.074 nan 8.310 nan 0.000 0.504 212 P HA -0.073 nan 4.420 nan 0.000 0.219 212 P C 0.401 177.769 177.300 0.114 0.000 1.146 212 P CA 0.742 63.864 63.100 0.037 0.000 0.808 212 P CB -0.147 31.555 31.700 0.004 0.000 0.779 213 I N 0.568 121.193 120.570 0.093 0.000 2.668 213 I HA -0.021 4.150 4.170 0.002 0.000 0.309 213 I C 1.039 177.181 176.117 0.042 0.000 1.195 213 I CA 0.036 61.378 61.300 0.070 0.000 1.919 213 I CB -1.947 36.026 38.000 -0.046 0.000 1.551 213 I HN -0.159 nan 8.210 nan 0.000 0.908 214 F N 3.766 123.666 119.950 -0.085 0.000 2.797 214 F HA -0.036 4.491 4.527 0.001 0.000 0.302 214 F C 1.852 177.600 175.800 -0.087 0.000 1.130 214 F CA -0.169 57.746 58.000 -0.142 0.000 1.387 214 F CB -0.342 38.582 39.000 -0.126 0.000 1.107 214 F HN 0.471 nan 8.300 nan 0.000 0.577 215 Y N -1.244 119.103 120.300 0.078 0.000 2.506 215 Y HA 0.120 4.671 4.550 0.000 0.000 0.335 215 Y C 1.288 177.192 175.900 0.007 0.000 1.218 215 Y CA -0.075 58.047 58.100 0.036 0.000 1.260 215 Y CB -1.547 36.936 38.460 0.038 0.000 1.085 215 Y HN 0.170 nan 8.280 nan 0.000 0.495 216 E N 0.237 120.297 120.200 -0.233 0.000 2.299 216 E HA 0.013 4.364 4.350 0.002 0.000 0.193 216 E C 1.136 177.713 176.600 -0.039 0.000 0.998 216 E CA -0.071 56.244 56.400 -0.142 0.000 0.851 216 E CB 0.108 29.790 29.700 -0.030 0.000 0.795 216 E HN 0.282 nan 8.360 nan 0.000 0.492 217 R N 1.517 121.924 120.500 -0.154 0.000 3.385 217 R HA 0.189 4.530 4.340 0.002 0.000 0.236 217 R C -0.050 176.261 176.300 0.018 0.000 1.663 217 R CA -0.142 55.907 56.100 -0.086 0.000 1.444 217 R CB -1.276 28.914 30.300 -0.183 0.000 1.218 217 R HN 0.054 nan 8.270 nan 0.000 0.575 218 A N 0.840 123.695 122.820 0.058 0.000 2.614 218 A HA -0.107 4.214 4.320 0.002 0.000 0.231 218 A C 1.536 179.158 177.584 0.064 0.000 1.076 218 A CA 0.043 52.127 52.037 0.078 0.000 0.767 218 A CB 0.286 19.346 19.000 0.100 0.000 1.012 218 A HN 0.328 nan 8.150 nan 0.000 0.512 219 R N 1.320 121.851 120.500 0.052 0.000 2.328 219 R HA -0.079 4.262 4.340 0.002 0.000 0.207 219 R C 1.168 177.499 176.300 0.052 0.000 1.056 219 R CA 0.829 56.953 56.100 0.039 0.000 1.016 219 R CB -1.061 29.246 30.300 0.011 0.000 0.872 219 R HN 0.871 nan 8.270 nan 0.000 0.471 220 G N 1.969 110.809 108.800 0.068 0.000 2.577 220 G HA2 0.072 4.033 3.960 0.002 0.000 0.290 220 G HA3 0.072 4.033 3.960 0.002 0.000 0.290 220 G C 0.183 175.154 174.900 0.117 0.000 0.703 220 G CA -0.019 45.136 45.100 0.091 0.000 2.032 220 G HN 0.156 nan 8.290 nan 0.000 0.508 221 V N 1.763 121.774 119.914 0.162 0.000 2.240 221 V HA 0.597 4.718 4.120 0.002 0.000 0.265 221 V C 0.920 177.149 176.094 0.225 0.000 1.073 221 V CA -0.637 61.771 62.300 0.180 0.000 0.857 221 V CB 0.722 32.649 31.823 0.172 0.000 1.114 221 V HN 0.449 nan 8.190 nan 0.000 0.469 222 G N 3.177 112.047 108.800 0.117 0.000 2.726 222 G HA2 0.342 4.303 3.960 0.002 0.000 0.283 222 G HA3 0.342 4.303 3.960 0.002 0.000 0.283 222 G C 0.092 174.970 174.900 -0.037 0.000 0.689 222 G CA 0.092 45.204 45.100 0.020 0.000 2.087 222 G HN 0.945 nan 8.290 nan 0.000 0.546 223 V N 3.724 123.592 119.914 -0.077 0.000 2.572 223 V HA 0.161 4.282 4.120 0.002 0.000 0.274 223 V C 1.548 177.525 176.094 -0.195 0.000 1.075 223 V CA -0.509 61.747 62.300 -0.073 0.000 1.237 223 V CB -0.122 31.722 31.823 0.036 0.000 1.517 223 V HN 0.632 nan 8.190 nan 0.000 0.616 224 I N 1.840 122.221 120.570 -0.314 0.000 2.127 224 I HA -0.129 4.042 4.170 0.002 0.000 0.241 224 I C -0.486 175.543 176.117 -0.147 0.000 1.075 224 I CA 2.169 63.276 61.300 -0.321 0.000 1.334 224 I CB -0.515 37.323 38.000 -0.271 0.000 1.040 224 I HN 0.475 nan 8.210 nan 0.000 0.405 225 P HA 0.183 nan 4.420 nan 0.000 0.255 225 P C -2.125 175.154 177.300 -0.035 0.000 1.136 225 P CA 0.309 63.376 63.100 -0.056 0.000 0.951 225 P CB 0.538 32.208 31.700 -0.049 0.000 1.160 226 P HA 0.177 nan 4.420 nan 0.000 0.328 226 P C -0.719 176.576 177.300 -0.008 0.000 0.838 226 P CA -0.190 62.901 63.100 -0.016 0.000 0.591 226 P CB 0.611 32.303 31.700 -0.014 0.000 1.355 227 E N 0.306 120.505 120.200 -0.000 0.000 4.126 227 E HA 0.085 4.436 4.350 0.002 0.000 0.314 227 E C 1.209 177.812 176.600 0.004 0.000 1.438 227 E CA 0.253 56.659 56.400 0.009 0.000 1.682 227 E CB -0.531 29.177 29.700 0.013 0.000 1.454 227 E HN 0.129 nan 8.360 nan 0.000 0.810 228 V N -2.112 117.807 119.914 0.008 0.000 2.725 228 V HA 0.150 4.271 4.120 0.002 0.000 0.247 228 V C 2.421 178.510 176.094 -0.008 0.000 1.058 228 V CA 1.640 63.941 62.300 0.001 0.000 1.080 228 V CB -0.934 30.890 31.823 0.002 0.000 0.713 228 V HN 0.696 nan 8.190 nan 0.000 0.465 229 A N 0.735 123.552 122.820 -0.005 0.000 2.054 229 A HA -0.257 4.064 4.320 0.002 0.000 0.223 229 A C 2.131 179.714 177.584 -0.003 0.000 1.169 229 A CA 2.648 54.682 52.037 -0.005 0.000 0.655 229 A CB -0.717 18.281 19.000 -0.004 0.000 0.812 229 A HN 0.764 nan 8.150 nan 0.000 0.462 230 I N -1.204 119.362 120.570 -0.007 0.000 2.867 230 I HA 0.013 4.184 4.170 0.002 0.000 0.265 230 I C 1.535 177.645 176.117 -0.012 0.000 1.162 230 I CA 1.326 62.621 61.300 -0.007 0.000 1.471 230 I CB -0.119 37.872 38.000 -0.016 0.000 1.123 230 I HN 0.264 nan 8.210 nan 0.000 0.440 231 D N 0.167 120.556 120.400 -0.019 0.000 2.371 231 D HA -0.124 4.517 4.640 0.002 0.000 0.221 231 D C 2.009 178.284 176.300 -0.042 0.000 0.986 231 D CA 0.652 54.636 54.000 -0.026 0.000 0.899 231 D CB 0.218 41.007 40.800 -0.018 0.000 0.902 231 D HN 0.410 nan 8.370 nan 0.000 0.530 232 L N -0.710 120.494 121.223 -0.031 0.000 2.162 232 L HA 0.250 4.591 4.340 0.002 0.000 0.205 232 L C 1.573 178.447 176.870 0.006 0.000 1.086 232 L CA 1.622 56.441 54.840 -0.035 0.000 0.778 232 L CB -0.245 41.807 42.059 -0.012 0.000 0.928 232 L HN -0.047 nan 8.230 nan 0.000 0.446 233 G N 0.218 109.031 108.800 0.021 0.000 2.992 233 G HA2 0.292 4.252 3.960 0.002 0.000 0.201 233 G HA3 0.292 4.252 3.960 0.002 0.000 0.201 233 G C -0.243 174.676 174.900 0.032 0.000 2.057 233 G CA 0.173 45.303 45.100 0.050 0.000 0.800 233 G HN 0.316 nan 8.290 nan 0.000 0.700 234 L N 0.592 121.831 121.223 0.027 0.000 2.495 234 L HA 0.489 4.830 4.340 0.002 0.000 0.248 234 L C -0.205 176.663 176.870 -0.003 0.000 1.229 234 L CA -0.783 54.067 54.840 0.017 0.000 0.942 234 L CB 0.737 42.816 42.059 0.034 0.000 1.242 234 L HN 0.210 nan 8.230 nan 0.000 0.484 235 T N -1.561 112.982 114.554 -0.018 0.000 2.833 235 T HA 0.190 4.541 4.350 0.002 0.000 0.254 235 T C 1.292 175.967 174.700 -0.042 0.000 0.972 235 T CA 0.185 62.264 62.100 -0.037 0.000 1.246 235 T CB 0.693 69.533 68.868 -0.047 0.000 0.949 235 T HN 0.685 nan 8.240 nan 0.000 0.567 236 G N 0.939 109.716 108.800 -0.039 0.000 2.838 236 G HA2 0.514 4.475 3.960 0.002 0.000 0.210 236 G HA3 0.514 4.475 3.960 0.002 0.000 0.210 236 G C 0.864 175.728 174.900 -0.060 0.000 1.153 236 G CA 0.080 45.155 45.100 -0.042 0.000 0.778 236 G HN 1.182 nan 8.290 nan 0.000 0.539 237 G N 0.042 108.800 108.800 -0.071 0.000 2.535 237 G HA2 0.041 4.002 3.960 0.002 0.000 0.095 237 G HA3 0.041 4.002 3.960 0.002 0.000 0.095 237 G C 0.576 175.422 174.900 -0.089 0.000 2.409 237 G CA 0.460 45.508 45.100 -0.088 0.000 1.254 237 G HN 1.134 nan 8.290 nan 0.000 0.367 238 S N 1.392 117.053 115.700 -0.066 0.000 2.572 238 S HA 0.706 5.177 4.470 0.002 0.000 0.279 238 S C 0.263 174.830 174.600 -0.054 0.000 1.341 238 S CA 0.186 58.352 58.200 -0.058 0.000 1.043 238 S CB 0.926 64.101 63.200 -0.042 0.000 0.887 238 S HN 0.833 nan 8.310 nan 0.000 0.516 239 L N 1.340 122.532 121.223 -0.051 0.000 2.170 239 L HA 0.754 5.095 4.340 0.002 0.000 0.247 239 L C 0.309 177.162 176.870 -0.029 0.000 1.078 239 L CA -1.493 53.322 54.840 -0.043 0.000 0.936 239 L CB 1.521 43.547 42.059 -0.056 0.000 1.528 239 L HN 0.933 nan 8.230 nan 0.000 0.455 240 R N -0.950 119.536 120.500 -0.022 0.000 2.929 240 R HA 0.861 5.202 4.340 0.002 0.000 0.259 240 R C -0.435 175.858 176.300 -0.013 0.000 1.141 240 R CA -0.275 55.815 56.100 -0.016 0.000 0.991 240 R CB 1.492 31.784 30.300 -0.013 0.000 1.287 240 R HN 0.508 nan 8.270 nan 0.000 0.450 241 A N -0.175 122.639 122.820 -0.011 0.000 2.140 241 A HA 0.186 4.507 4.320 0.002 0.000 0.199 241 A C 0.700 178.277 177.584 -0.011 0.000 1.416 241 A CA 0.614 52.646 52.037 -0.009 0.000 1.018 241 A CB 0.440 19.436 19.000 -0.007 0.000 1.117 241 A HN 0.717 nan 8.150 nan 0.000 0.480 242 S N -0.819 114.871 115.700 -0.016 0.000 3.041 242 S HA 0.364 4.835 4.470 0.002 0.000 0.250 242 S C 0.566 175.148 174.600 -0.030 0.000 0.898 242 S CA 0.422 58.607 58.200 -0.025 0.000 1.100 242 S CB -0.288 62.894 63.200 -0.030 0.000 1.149 242 S HN 0.847 nan 8.310 nan 0.000 0.540 243 G N 1.333 110.124 108.800 -0.016 0.000 3.209 243 G HA2 0.481 4.442 3.960 0.002 0.000 0.274 243 G HA3 0.481 4.442 3.960 0.002 0.000 0.274 243 G C -0.348 174.556 174.900 0.006 0.000 0.850 243 G CA -0.265 44.829 45.100 -0.010 0.000 1.907 243 G HN 0.442 nan 8.290 nan 0.000 0.591 244 V N 2.445 122.348 119.914 -0.019 0.000 2.334 244 V HA 0.045 4.166 4.120 0.002 0.000 0.267 244 V C 1.029 177.146 176.094 0.039 0.000 1.040 244 V CA -0.597 61.703 62.300 -0.000 0.000 0.866 244 V CB 0.796 32.520 31.823 -0.165 0.000 1.019 244 V HN 0.560 nan 8.190 nan 0.000 0.468 245 N N 3.375 122.161 118.700 0.142 0.000 2.503 245 N HA -0.188 4.553 4.740 0.002 0.000 0.189 245 N C 1.071 176.715 175.510 0.224 0.000 1.048 245 N CA 1.294 54.438 53.050 0.156 0.000 0.905 245 N CB -0.242 38.353 38.487 0.179 0.000 0.951 245 N HN 0.927 nan 8.380 nan 0.000 0.446 246 Y N -3.031 117.328 120.300 0.098 0.000 2.607 246 Y HA 0.462 5.012 4.550 0.001 0.000 0.266 246 Y C 0.826 176.753 175.900 0.045 0.000 1.178 246 Y CA -0.712 57.465 58.100 0.129 0.000 1.226 246 Y CB -0.003 38.657 38.460 0.333 0.000 1.144 246 Y HN -0.090 nan 8.280 nan 0.000 0.528 247 D N -0.294 120.037 120.400 -0.115 0.000 2.932 247 D HA 0.141 4.782 4.640 0.002 0.000 0.294 247 D C -0.002 176.189 176.300 -0.180 0.000 1.119 247 D CA 0.561 54.449 54.000 -0.187 0.000 0.980 247 D CB 0.893 41.556 40.800 -0.229 0.000 1.361 247 D HN 0.081 nan 8.370 nan 0.000 0.466 248 V N 3.012 122.850 119.914 -0.126 0.000 2.837 248 V HA 0.287 4.408 4.120 0.002 0.000 0.310 248 V C 0.437 176.469 176.094 -0.103 0.000 1.059 248 V CA -0.585 61.646 62.300 -0.115 0.000 1.004 248 V CB 1.689 33.469 31.823 -0.073 0.000 1.045 248 V HN 0.340 nan 8.190 nan 0.000 0.465 249 R N 0.117 120.553 120.500 -0.107 0.000 3.722 249 R HA -0.230 4.111 4.340 0.002 0.000 0.284 249 R C 0.223 176.423 176.300 -0.166 0.000 1.165 249 R CA 0.988 57.031 56.100 -0.095 0.000 0.779 249 R CB -2.311 27.974 30.300 -0.026 0.000 1.179 249 R HN 0.997 nan 8.270 nan 0.000 0.491 250 K N -0.319 119.928 120.400 -0.255 0.000 2.543 250 K HA 0.230 4.551 4.320 0.002 0.000 0.279 250 K C 0.875 177.232 176.600 -0.405 0.000 1.001 250 K CA 0.903 56.961 56.287 -0.383 0.000 1.088 250 K CB 0.582 32.669 32.500 -0.689 0.000 0.863 250 K HN 0.281 nan 8.250 nan 0.000 0.488 251 A N 2.913 125.318 122.820 -0.693 0.000 2.066 251 A HA 0.186 4.507 4.320 0.002 0.000 0.198 251 A C -0.187 177.147 177.584 -0.417 0.000 1.405 251 A CA -0.100 51.601 52.037 -0.560 0.000 0.973 251 A CB 0.017 18.730 19.000 -0.477 0.000 1.026 251 A HN 0.788 nan 8.150 nan 0.000 0.474 252 Y N -1.017 119.376 120.300 0.154 0.000 2.876 252 Y HA 0.691 5.242 4.550 0.002 0.000 0.318 252 Y C -2.485 173.549 175.900 0.223 0.000 1.275 252 Y CA -3.740 54.449 58.100 0.148 0.000 1.144 252 Y CB -0.817 37.706 38.460 0.106 0.000 1.376 252 Y HN -0.160 nan 8.280 nan 0.000 0.589 253 P HA -0.097 nan 4.420 nan 0.000 0.263 253 P C -0.904 176.595 177.300 0.331 0.000 1.168 253 P CA 0.988 64.228 63.100 0.233 0.000 0.759 253 P CB 0.398 32.203 31.700 0.176 0.000 0.782 254 Y N -0.636 119.766 120.300 0.169 0.000 2.657 254 Y HA 0.118 4.668 4.550 0.001 0.000 0.268 254 Y C 0.860 176.856 175.900 0.161 0.000 1.159 254 Y CA 0.119 58.329 58.100 0.182 0.000 1.093 254 Y CB -1.052 37.480 38.460 0.119 0.000 1.360 254 Y HN 0.286 nan 8.280 nan 0.000 0.522 255 S N 1.803 116.899 115.700 -1.007 0.000 3.723 255 S HA 0.317 4.788 4.470 0.002 0.000 0.440 255 S C 0.281 174.945 174.600 0.106 0.000 0.901 255 S CA 0.706 58.693 58.200 -0.354 0.000 1.831 255 S CB -1.162 61.852 63.200 -0.309 0.000 1.036 255 S HN 1.205 nan 8.310 nan 0.000 0.614 256 G N 2.993 111.991 108.800 0.330 0.000 2.739 256 G HA2 0.534 4.495 3.960 0.002 0.000 0.292 256 G HA3 0.534 4.495 3.960 0.002 0.000 0.292 256 G C -1.090 174.116 174.900 0.510 0.000 1.444 256 G CA -0.791 44.513 45.100 0.341 0.000 1.144 256 G HN 0.423 nan 8.290 nan 0.000 0.550 264 V N 4.754 124.699 119.914 0.051 0.000 2.357 264 V HA 0.637 4.758 4.120 0.002 0.000 0.284 264 V C -1.852 174.244 176.094 0.002 0.000 1.018 264 V CA -1.345 60.969 62.300 0.024 0.000 0.841 264 V CB 1.428 33.272 31.823 0.034 0.000 0.991 264 V HN 0.416 nan 8.190 nan 0.000 0.437 265 P HA 0.313 nan 4.420 nan 0.000 0.280 265 P C -0.857 176.435 177.300 -0.013 0.000 1.244 265 P CA -0.258 62.812 63.100 -0.050 0.000 0.784 265 P CB 1.541 33.182 31.700 -0.099 0.000 0.913 266 L N 3.130 124.357 121.223 0.006 0.000 2.321 266 L HA 0.484 4.825 4.340 0.002 0.000 0.272 266 L C 0.798 177.669 176.870 0.003 0.000 1.050 266 L CA -0.122 54.723 54.840 0.008 0.000 0.893 266 L CB 0.742 42.811 42.059 0.016 0.000 1.272 266 L HN 0.497 nan 8.230 nan 0.000 0.435 267 G N 1.855 110.654 108.800 -0.003 0.000 2.478 267 G HA2 0.688 4.649 3.960 0.002 0.000 0.317 267 G HA3 0.688 4.649 3.960 0.002 0.000 0.317 267 G C -0.872 174.028 174.900 -0.001 0.000 1.259 267 G CA -0.144 44.954 45.100 -0.003 0.000 0.933 267 G HN 0.388 nan 8.290 nan 0.000 0.478 268 E N -0.187 120.013 120.200 -0.000 0.000 2.450 268 E HA 0.570 4.921 4.350 0.002 0.000 0.272 268 E C -0.013 176.597 176.600 0.017 0.000 0.967 268 E CA -0.892 55.514 56.400 0.009 0.000 0.818 268 E CB 1.702 31.406 29.700 0.008 0.000 1.401 268 E HN 0.566 nan 8.360 nan 0.000 0.450 269 R N 0.272 120.791 120.500 0.031 0.000 2.700 269 R HA 0.863 5.204 4.340 0.002 0.000 0.253 269 R C 0.552 176.889 176.300 0.061 0.000 1.091 269 R CA -0.000 56.124 56.100 0.041 0.000 1.104 269 R CB 0.067 30.392 30.300 0.042 0.000 1.202 269 R HN 0.666 nan 8.270 nan 0.000 0.532 270 G N -0.143 108.697 108.800 0.067 0.000 2.464 270 G HA2 -0.172 3.789 3.960 0.002 0.000 0.216 270 G HA3 -0.172 3.789 3.960 0.002 0.000 0.216 270 G C -0.506 174.442 174.900 0.079 0.000 1.186 270 G CA 0.337 45.490 45.100 0.089 0.000 1.010 270 G HN 0.599 nan 8.290 nan 0.000 0.585 271 D N -3.055 117.401 120.400 0.094 0.000 1.638 271 D HA 0.048 4.689 4.640 0.002 0.000 0.722 271 D C 1.743 178.093 176.300 0.083 0.000 0.662 271 D CA 1.038 55.086 54.000 0.079 0.000 1.220 271 D CB 0.293 41.142 40.800 0.081 0.000 1.303 271 D HN 0.512 nan 8.370 nan 0.000 0.452 272 V N 1.059 121.037 119.914 0.108 0.000 3.539 272 V HA 0.111 4.232 4.120 0.002 0.000 0.262 272 V C 1.609 177.780 176.094 0.128 0.000 1.381 272 V CA 0.065 62.430 62.300 0.107 0.000 1.060 272 V CB 0.359 32.245 31.823 0.106 0.000 0.842 272 V HN 0.068 nan 8.190 nan 0.000 0.445 273 F N 2.070 121.998 119.950 -0.038 0.000 2.234 273 F HA 0.002 4.529 4.527 0.000 0.000 0.296 273 F C 1.878 177.659 175.800 -0.032 0.000 1.089 273 F CA 1.646 59.598 58.000 -0.080 0.000 1.343 273 F CB -0.098 38.796 39.000 -0.176 0.000 1.040 273 F HN 0.158 nan 8.300 nan 0.000 0.498 274 D N 0.199 120.520 120.400 -0.132 0.000 2.137 274 D HA -0.104 4.537 4.640 0.002 0.000 0.202 274 D C 2.272 178.498 176.300 -0.124 0.000 0.970 274 D CA 0.775 54.646 54.000 -0.215 0.000 0.837 274 D CB -0.288 40.475 40.800 -0.061 0.000 0.981 274 D HN 0.297 nan 8.370 nan 0.000 0.475 275 R N 0.250 120.733 120.500 -0.028 0.000 2.140 275 R HA -0.221 4.120 4.340 0.002 0.000 0.250 275 R C 2.239 178.592 176.300 0.089 0.000 1.150 275 R CA 1.734 57.841 56.100 0.012 0.000 0.966 275 R CB -0.299 30.038 30.300 0.062 0.000 0.869 275 R HN 0.160 nan 8.270 nan 0.000 0.445 276 M N 0.426 120.075 119.600 0.080 0.000 2.073 276 M HA -0.082 4.399 4.480 0.002 0.000 0.259 276 M C 1.953 178.172 176.300 -0.136 0.000 1.079 276 M CA 1.530 56.852 55.300 0.038 0.000 1.131 276 M CB -0.709 31.797 32.600 -0.156 0.000 1.316 276 M HN 0.118 nan 8.290 nan 0.000 0.415 277 L N 0.062 121.099 121.223 -0.310 0.000 1.997 277 L HA -0.187 4.154 4.340 0.002 0.000 0.216 277 L C 2.259 179.022 176.870 -0.179 0.000 1.074 277 L CA 1.961 56.608 54.840 -0.323 0.000 0.763 277 L CB -1.134 40.616 42.059 -0.515 0.000 0.890 277 L HN 0.302 nan 8.230 nan 0.000 0.434 278 V N 0.111 119.940 119.914 -0.142 0.000 2.250 278 V HA -0.412 3.709 4.120 0.002 0.000 0.253 278 V C 2.693 178.744 176.094 -0.071 0.000 1.065 278 V CA 2.532 64.781 62.300 -0.085 0.000 1.039 278 V CB -0.839 30.942 31.823 -0.070 0.000 0.647 278 V HN 0.506 nan 8.190 nan 0.000 0.446 279 R N -0.516 119.921 120.500 -0.105 0.000 2.152 279 R HA -0.040 4.301 4.340 0.002 0.000 0.232 279 R C 2.153 178.383 176.300 -0.117 0.000 1.117 279 R CA 1.454 57.422 56.100 -0.221 0.000 0.981 279 R CB -0.414 29.579 30.300 -0.513 0.000 0.870 279 R HN 0.505 nan 8.270 nan 0.000 0.451 280 I N 0.321 120.839 120.570 -0.086 0.000 2.546 280 I HA -0.182 3.989 4.170 0.002 0.000 0.255 280 I C 2.363 178.460 176.117 -0.033 0.000 1.163 280 I CA 0.777 62.029 61.300 -0.079 0.000 1.457 280 I CB -0.184 37.735 38.000 -0.135 0.000 1.092 280 I HN 0.050 nan 8.210 nan 0.000 0.434 281 R N 1.240 121.722 120.500 -0.030 0.000 2.062 281 R HA -0.110 4.231 4.340 0.002 0.000 0.231 281 R C 2.022 178.342 176.300 0.033 0.000 1.136 281 R CA 1.276 57.374 56.100 -0.003 0.000 0.948 281 R CB -0.657 29.636 30.300 -0.011 0.000 0.845 281 R HN 0.469 nan 8.270 nan 0.000 0.430 282 E N 0.555 120.795 120.200 0.066 0.000 2.130 282 E HA -0.215 4.136 4.350 0.002 0.000 0.196 282 E C 2.079 178.749 176.600 0.116 0.000 0.998 282 E CA 1.488 57.964 56.400 0.127 0.000 0.806 282 E CB -0.260 29.580 29.700 0.233 0.000 0.738 282 E HN 0.319 nan 8.360 nan 0.000 0.459 283 M N 0.322 119.992 119.600 0.117 0.000 2.108 283 M HA -0.206 4.275 4.480 0.002 0.000 0.261 283 M C 2.278 178.584 176.300 0.010 0.000 1.066 283 M CA 1.269 56.601 55.300 0.053 0.000 1.107 283 M CB -0.295 32.311 32.600 0.011 0.000 1.356 283 M HN -0.036 nan 8.290 nan 0.000 0.406 284 R N 1.629 122.136 120.500 0.011 0.000 2.326 284 R HA -0.228 4.113 4.340 0.002 0.000 0.216 284 R C 2.079 178.388 176.300 0.013 0.000 1.064 284 R CA 2.532 58.635 56.100 0.006 0.000 0.827 284 R CB -0.815 29.495 30.300 0.016 0.000 0.809 284 R HN 0.488 nan 8.270 nan 0.000 0.430 285 E N 0.123 120.342 120.200 0.032 0.000 2.268 285 E HA -0.100 4.251 4.350 0.002 0.000 0.195 285 E C 1.789 178.418 176.600 0.048 0.000 0.995 285 E CA 1.465 57.889 56.400 0.040 0.000 0.836 285 E CB -0.671 29.060 29.700 0.053 0.000 0.763 285 E HN 0.318 nan 8.360 nan 0.000 0.491 286 S N -0.003 115.728 115.700 0.052 0.000 2.440 286 S HA -0.091 4.380 4.470 0.002 0.000 0.240 286 S C 1.760 176.368 174.600 0.014 0.000 1.014 286 S CA 1.134 59.364 58.200 0.050 0.000 0.980 286 S CB -0.128 63.086 63.200 0.023 0.000 0.775 286 S HN 0.264 nan 8.310 nan 0.000 0.499 287 V N 0.556 120.469 119.914 -0.002 0.000 2.725 287 V HA 0.086 4.207 4.120 0.002 0.000 0.247 287 V C 2.104 178.191 176.094 -0.012 0.000 1.058 287 V CA 1.059 63.345 62.300 -0.023 0.000 1.080 287 V CB -0.366 31.435 31.823 -0.038 0.000 0.713 287 V HN 0.351 nan 8.190 nan 0.000 0.465 288 K N 0.073 120.476 120.400 0.006 0.000 2.362 288 K HA 0.002 4.323 4.320 0.002 0.000 0.200 288 K C 1.851 178.461 176.600 0.016 0.000 1.046 288 K CA 0.852 57.144 56.287 0.008 0.000 0.952 288 K CB -0.031 32.480 32.500 0.019 0.000 0.753 288 K HN 0.335 nan 8.250 nan 0.000 0.466 289 I N 0.901 121.490 120.570 0.032 0.000 2.235 289 I HA -0.196 3.975 4.170 0.002 0.000 0.241 289 I C 2.116 178.247 176.117 0.023 0.000 1.085 289 I CA 0.983 62.312 61.300 0.050 0.000 1.378 289 I CB -0.807 37.245 38.000 0.086 0.000 1.076 289 I HN 0.057 nan 8.210 nan 0.000 0.415 290 I N 1.485 122.058 120.570 0.005 0.000 2.151 290 I HA -0.316 3.855 4.170 0.002 0.000 0.243 290 I C 2.567 178.673 176.117 -0.018 0.000 1.080 290 I CA 1.556 62.848 61.300 -0.012 0.000 1.339 290 I CB -1.227 36.748 38.000 -0.042 0.000 1.039 290 I HN 0.375 nan 8.210 nan 0.000 0.409 291 K N 1.060 121.445 120.400 -0.025 0.000 1.985 291 K HA -0.249 4.072 4.320 0.002 0.000 0.210 291 K C 2.207 178.792 176.600 -0.025 0.000 1.047 291 K CA 1.691 57.959 56.287 -0.031 0.000 0.932 291 K CB -0.285 32.195 32.500 -0.032 0.000 0.716 291 K HN 0.292 nan 8.250 nan 0.000 0.439 292 Q N 0.042 119.830 119.800 -0.021 0.000 2.062 292 Q HA -0.220 4.121 4.340 0.002 0.000 0.209 292 Q C 1.878 177.865 176.000 -0.022 0.000 0.996 292 Q CA 2.242 58.027 55.803 -0.029 0.000 0.859 292 Q CB -0.287 28.438 28.738 -0.022 0.000 0.920 292 Q HN 0.503 nan 8.270 nan 0.000 0.415 293 A N 0.370 123.188 122.820 -0.003 0.000 2.066 293 A HA -0.055 4.266 4.320 0.002 0.000 0.218 293 A C 1.935 179.521 177.584 0.004 0.000 1.157 293 A CA 0.540 52.580 52.037 0.004 0.000 0.670 293 A CB -0.445 18.569 19.000 0.023 0.000 0.804 293 A HN 0.530 nan 8.150 nan 0.000 0.453 294 L N -0.677 120.545 121.223 -0.001 0.000 2.376 294 L HA -0.120 4.221 4.340 0.002 0.000 0.219 294 L C 2.193 179.058 176.870 -0.010 0.000 1.133 294 L CA 0.936 55.777 54.840 0.000 0.000 0.816 294 L CB -0.196 41.854 42.059 -0.015 0.000 0.933 294 L HN 0.526 nan 8.230 nan 0.000 0.449 295 E N 0.383 120.572 120.200 -0.018 0.000 2.021 295 E HA -0.171 4.180 4.350 0.002 0.000 0.189 295 E C 1.148 177.736 176.600 -0.019 0.000 0.980 295 E CA 0.686 57.071 56.400 -0.024 0.000 0.803 295 E CB -0.024 29.655 29.700 -0.035 0.000 0.766 295 E HN 0.491 nan 8.360 nan 0.000 0.449 296 R N 1.677 122.165 120.500 -0.019 0.000 4.160 296 R HA 0.084 4.425 4.340 0.002 0.000 0.216 296 R C 0.148 176.445 176.300 -0.006 0.000 2.009 296 R CA 0.082 56.172 56.100 -0.016 0.000 1.664 296 R CB -0.241 30.047 30.300 -0.020 0.000 1.216 296 R HN 0.043 nan 8.270 nan 0.000 0.648 297 L N 2.089 123.310 121.223 -0.003 0.000 2.589 297 L HA 0.305 4.646 4.340 0.002 0.000 0.244 297 L C -0.481 176.390 176.870 0.002 0.000 1.159 297 L CA -0.140 54.703 54.840 0.005 0.000 1.074 297 L CB 0.388 42.455 42.059 0.014 0.000 1.391 297 L HN 0.432 nan 8.230 nan 0.000 0.423 298 E N 4.293 124.493 120.200 -0.001 0.000 2.266 298 E HA 0.405 4.756 4.350 0.002 0.000 0.277 298 E C -2.065 174.534 176.600 -0.001 0.000 1.018 298 E CA -1.697 54.702 56.400 -0.003 0.000 0.840 298 E CB 1.301 30.998 29.700 -0.006 0.000 1.082 298 E HN 0.356 nan 8.360 nan 0.000 0.395 299 P HA 0.140 nan 4.420 nan 0.000 0.272 299 P C 0.175 177.472 177.300 -0.003 0.000 1.248 299 P CA 0.131 63.230 63.100 -0.001 0.000 0.799 299 P CB 0.653 32.352 31.700 -0.002 0.000 0.997 300 G N -0.786 108.011 108.800 -0.004 0.000 2.292 300 G HA2 0.121 4.082 3.960 0.002 0.000 0.194 300 G HA3 0.121 4.082 3.960 0.002 0.000 0.194 300 G C -2.986 171.908 174.900 -0.010 0.000 1.329 300 G CA -0.447 44.648 45.100 -0.008 0.000 1.100 300 G HN 0.689 nan 8.290 nan 0.000 0.470 301 P HA 0.521 nan 4.420 nan 0.000 0.288 301 P C 0.649 177.939 177.300 -0.015 0.000 1.267 301 P CA 0.229 63.319 63.100 -0.017 0.000 0.815 301 P CB 1.755 33.443 31.700 -0.021 0.000 0.989 302 V N -0.350 119.552 119.914 -0.020 0.000 3.605 302 V HA 0.305 4.426 4.120 0.002 0.000 0.284 302 V C 0.638 176.708 176.094 -0.040 0.000 1.386 302 V CA 0.100 62.385 62.300 -0.026 0.000 1.053 302 V CB -0.901 30.905 31.823 -0.028 0.000 0.857 302 V HN 0.723 nan 8.190 nan 0.000 0.436 303 R N -0.484 119.994 120.500 -0.036 0.000 2.594 303 R HA 0.392 4.733 4.340 0.002 0.000 0.265 303 R C -1.483 174.796 176.300 -0.036 0.000 1.070 303 R CA -0.685 55.392 56.100 -0.039 0.000 0.909 303 R CB 1.024 31.298 30.300 -0.044 0.000 1.243 303 R HN 0.041 nan 8.270 nan 0.000 0.455 304 D N 4.480 124.856 120.400 -0.041 0.000 2.581 304 D HA -0.020 4.621 4.640 0.002 0.000 0.238 304 D C -1.101 175.172 176.300 -0.045 0.000 1.145 304 D CA -1.179 52.793 54.000 -0.047 0.000 0.866 304 D CB 1.150 41.912 40.800 -0.063 0.000 1.151 304 D HN 0.420 nan 8.370 nan 0.000 0.500 305 P HA -0.120 nan 4.420 nan 0.000 0.229 305 P C 0.447 177.711 177.300 -0.060 0.000 1.160 305 P CA -0.110 62.963 63.100 -0.046 0.000 0.777 305 P CB 0.053 31.727 31.700 -0.043 0.000 0.814 306 N N 2.065 120.724 118.700 -0.068 0.000 2.291 306 N HA -0.086 4.655 4.740 0.002 0.000 0.281 306 N C -1.412 174.040 175.510 -0.095 0.000 1.388 306 N CA -0.501 52.498 53.050 -0.085 0.000 0.920 306 N CB 0.337 38.768 38.487 -0.092 0.000 1.276 306 N HN 0.008 nan 8.380 nan 0.000 0.493 307 P HA -0.172 nan 4.420 nan 0.000 0.217 307 P C 0.903 178.092 177.300 -0.185 0.000 1.148 307 P CA 1.229 64.191 63.100 -0.230 0.000 0.834 307 P CB 0.276 31.734 31.700 -0.404 0.000 0.783 308 Q N -1.729 118.006 119.800 -0.109 0.000 2.435 308 Q HA 0.092 4.432 4.340 0.002 0.000 0.207 308 Q C 1.904 177.895 176.000 -0.015 0.000 0.956 308 Q CA 0.808 56.610 55.803 -0.002 0.000 0.917 308 Q CB 0.004 28.733 28.738 -0.015 0.000 0.997 308 Q HN 0.414 nan 8.270 nan 0.000 0.497 309 I N -0.944 119.588 120.570 -0.063 0.000 4.032 309 I HA 0.034 4.205 4.170 0.002 0.000 0.313 309 I C 0.313 176.476 176.117 0.078 0.000 1.272 309 I CA 0.484 61.691 61.300 -0.156 0.000 1.307 309 I CB 1.033 38.883 38.000 -0.251 0.000 1.155 309 I HN -0.105 nan 8.210 nan 0.000 0.431 310 T N 2.471 117.099 114.554 0.125 0.000 2.916 310 T HA 0.395 4.746 4.350 0.002 0.000 0.292 310 T C -2.599 172.192 174.700 0.151 0.000 1.055 310 T CA -1.142 61.066 62.100 0.181 0.000 1.009 310 T CB 2.441 71.332 68.868 0.037 0.000 1.118 310 T HN -0.118 nan 8.240 nan 0.000 0.497 311 P HA 0.311 nan 4.420 nan 0.000 0.277 311 P C -2.712 174.591 177.300 0.005 0.000 1.240 311 P CA -1.704 61.293 63.100 -0.171 0.000 0.798 311 P CB -0.220 31.185 31.700 -0.493 0.000 0.979 312 P HA 0.132 nan 4.420 nan 0.000 0.271 312 P C -2.197 175.180 177.300 0.129 0.000 1.216 312 P CA -1.523 61.637 63.100 0.100 0.000 0.776 312 P CB -0.945 30.849 31.700 0.156 0.000 0.881 313 P HA -0.063 nan 4.420 nan 0.000 0.256 313 P C 0.971 178.391 177.300 0.200 0.000 1.173 313 P CA 0.263 63.435 63.100 0.120 0.000 0.768 313 P CB 0.251 31.988 31.700 0.061 0.000 0.758 314 R N 3.079 123.693 120.500 0.190 0.000 2.417 314 R HA -0.191 4.150 4.340 0.002 0.000 0.220 314 R C 1.743 178.137 176.300 0.157 0.000 1.128 314 R CA 0.835 57.050 56.100 0.192 0.000 1.048 314 R CB -1.003 29.405 30.300 0.179 0.000 0.835 314 R HN 0.566 nan 8.270 nan 0.000 0.483 315 H N 1.979 121.082 119.070 0.055 0.000 2.495 315 H HA -0.037 4.520 4.556 0.002 0.000 0.287 315 H C 1.184 176.530 175.328 0.030 0.000 1.033 315 H CA 1.201 57.271 56.048 0.037 0.000 1.307 315 H CB 0.261 30.042 29.762 0.033 0.000 1.401 315 H HN 0.424 nan 8.280 nan 0.000 0.555 316 L N -1.252 119.915 121.223 -0.093 0.000 2.693 316 L HA 0.229 4.570 4.340 0.002 0.000 0.235 316 L C 1.567 178.392 176.870 -0.074 0.000 1.127 316 L CA -0.010 54.708 54.840 -0.204 0.000 0.914 316 L CB -0.667 41.397 42.059 0.007 0.000 1.193 316 L HN -0.078 nan 8.230 nan 0.000 0.502 317 L N 1.608 122.811 121.223 -0.034 0.000 2.456 317 L HA -0.186 4.155 4.340 0.002 0.000 0.225 317 L C 2.237 179.077 176.870 -0.051 0.000 1.142 317 L CA 1.514 56.334 54.840 -0.034 0.000 0.796 317 L CB -1.194 40.818 42.059 -0.078 0.000 0.920 317 L HN 0.648 nan 8.230 nan 0.000 0.446 318 E N -2.833 117.321 120.200 -0.077 0.000 2.416 318 E HA 0.044 4.395 4.350 0.002 0.000 0.189 318 E C 0.710 177.277 176.600 -0.056 0.000 1.091 318 E CA 0.692 57.051 56.400 -0.068 0.000 0.889 318 E CB -0.028 29.622 29.700 -0.083 0.000 1.015 318 E HN 0.357 nan 8.360 nan 0.000 0.479 319 T N -0.505 114.025 114.554 -0.041 0.000 3.827 319 T HA -0.079 4.271 4.350 0.002 0.000 0.307 319 T C 0.189 174.893 174.700 0.007 0.000 0.930 319 T CA 0.235 62.324 62.100 -0.020 0.000 1.171 319 T CB 0.030 68.882 68.868 -0.026 0.000 1.092 319 T HN 0.297 nan 8.240 nan 0.000 0.489 320 S N 4.002 119.714 115.700 0.020 0.000 4.273 320 S HA -0.234 4.237 4.470 0.002 0.000 0.512 320 S C 1.516 176.156 174.600 0.066 0.000 1.063 320 S CA 1.008 59.243 58.200 0.059 0.000 0.904 320 S CB -0.336 62.914 63.200 0.084 0.000 0.778 320 S HN 0.495 nan 8.310 nan 0.000 0.467 321 M N 3.276 122.920 119.600 0.073 0.000 3.579 321 M HA -0.304 4.177 4.480 0.002 0.000 0.278 321 M C 0.811 177.151 176.300 0.068 0.000 0.877 321 M CA 2.897 58.241 55.300 0.074 0.000 0.973 321 M CB -0.542 32.123 32.600 0.108 0.000 1.433 321 M HN 0.850 nan 8.290 nan 0.000 0.572 322 E N -2.060 118.201 120.200 0.101 0.000 3.733 322 E HA 0.280 4.631 4.350 0.002 0.000 0.172 322 E C 0.354 177.052 176.600 0.164 0.000 1.032 322 E CA 0.658 57.107 56.400 0.082 0.000 1.532 322 E CB -0.730 28.993 29.700 0.038 0.000 1.149 322 E HN 0.604 nan 8.360 nan 0.000 0.373 323 A N 0.212 123.159 122.820 0.212 0.000 2.216 323 A HA -0.034 4.287 4.320 0.002 0.000 0.214 323 A C 2.107 179.877 177.584 0.310 0.000 1.160 323 A CA 0.866 53.103 52.037 0.333 0.000 0.725 323 A CB -0.118 19.019 19.000 0.227 0.000 0.784 323 A HN 0.123 nan 8.150 nan 0.000 0.472 324 V N -0.040 119.990 119.914 0.193 0.000 2.343 324 V HA -0.263 3.858 4.120 0.002 0.000 0.247 324 V C 2.355 178.586 176.094 0.229 0.000 1.051 324 V CA 1.941 64.334 62.300 0.154 0.000 1.036 324 V CB -0.523 31.332 31.823 0.053 0.000 0.654 324 V HN 0.634 nan 8.190 nan 0.000 0.451 325 I N -1.390 119.272 120.570 0.153 0.000 2.179 325 I HA -0.292 3.879 4.170 0.002 0.000 0.242 325 I C 2.417 178.620 176.117 0.143 0.000 1.088 325 I CA 1.975 63.333 61.300 0.097 0.000 1.357 325 I CB -0.307 37.656 38.000 -0.060 0.000 1.051 325 I HN 0.279 nan 8.210 nan 0.000 0.409 326 Y N 0.099 120.532 120.300 0.221 0.000 2.070 326 Y HA -0.350 4.201 4.550 0.002 0.000 0.280 326 Y C 2.856 178.942 175.900 0.310 0.000 1.148 326 Y CA 2.198 60.434 58.100 0.227 0.000 1.125 326 Y CB -0.974 37.595 38.460 0.182 0.000 0.975 326 Y HN 0.264 nan 8.280 nan 0.000 0.492 327 H N -0.439 118.863 119.070 0.387 0.000 2.265 327 H HA -0.280 4.276 4.556 0.002 0.000 0.295 327 H C 2.289 177.845 175.328 0.379 0.000 1.084 327 H CA 2.206 58.470 56.048 0.361 0.000 1.261 327 H CB -1.071 28.859 29.762 0.281 0.000 1.360 327 H HN 0.399 nan 8.280 nan 0.000 0.487 328 F N 1.365 121.607 119.950 0.486 0.000 2.154 328 F HA -0.207 4.321 4.527 0.002 0.000 0.301 328 F C 2.562 178.500 175.800 0.230 0.000 1.087 328 F CA 2.274 60.471 58.000 0.329 0.000 1.274 328 F CB -0.146 38.955 39.000 0.167 0.000 1.009 328 F HN 0.102 nan 8.300 nan 0.000 0.485 329 K N -0.586 119.978 120.400 0.273 0.000 2.044 329 K HA -0.149 4.172 4.320 0.002 0.000 0.204 329 K C 2.382 179.026 176.600 0.072 0.000 1.045 329 K CA 1.384 57.729 56.287 0.097 0.000 0.951 329 K CB -0.919 31.644 32.500 0.106 0.000 0.738 329 K HN 0.293 nan 8.250 nan 0.000 0.443 330 H N -0.498 118.595 119.070 0.038 0.000 2.368 330 H HA -0.229 4.328 4.556 0.002 0.000 0.292 330 H C 1.283 176.454 175.328 -0.262 0.000 1.117 330 H CA 2.349 58.341 56.048 -0.092 0.000 1.231 330 H CB -0.103 29.584 29.762 -0.124 0.000 1.359 330 H HN 0.341 nan 8.280 nan 0.000 0.490 331 Y N -0.114 120.233 120.300 0.077 0.000 2.510 331 Y HA -0.038 4.513 4.550 0.001 0.000 0.273 331 Y C 2.804 178.637 175.900 -0.111 0.000 1.119 331 Y CA 1.050 59.135 58.100 -0.025 0.000 1.286 331 Y CB 0.202 38.589 38.460 -0.122 0.000 1.061 331 Y HN 0.364 nan 8.280 nan 0.000 0.542 332 T N -1.822 112.695 114.554 -0.062 0.000 2.755 332 T HA -0.063 4.288 4.350 0.002 0.000 0.251 332 T C 0.738 175.383 174.700 -0.092 0.000 1.044 332 T CA 0.315 62.323 62.100 -0.152 0.000 1.154 332 T CB -0.214 68.434 68.868 -0.367 0.000 0.866 332 T HN 0.193 nan 8.240 nan 0.000 0.416 333 E N 1.340 121.493 120.200 -0.078 0.000 2.176 333 E HA 0.520 4.871 4.350 0.002 0.000 0.267 333 E C 0.263 176.818 176.600 -0.074 0.000 0.893 333 E CA -0.863 55.515 56.400 -0.037 0.000 0.761 333 E CB 1.588 31.310 29.700 0.037 0.000 1.133 333 E HN 0.478 nan 8.360 nan 0.000 0.409 334 G N 2.711 111.412 108.800 -0.164 0.000 2.525 334 G HA2 0.229 4.190 3.960 0.002 0.000 0.276 334 G HA3 0.229 4.190 3.960 0.002 0.000 0.276 334 G C -0.064 174.714 174.900 -0.204 0.000 1.388 334 G CA -0.474 44.397 45.100 -0.381 0.000 1.050 334 G HN 0.532 nan 8.290 nan 0.000 0.520 335 F N -2.108 117.756 119.950 -0.143 0.000 2.375 335 F HA 0.519 5.047 4.527 0.001 0.000 0.313 335 F C 0.310 176.171 175.800 0.101 0.000 1.176 335 F CA -1.487 56.486 58.000 -0.045 0.000 1.142 335 F CB 0.224 39.099 39.000 -0.208 0.000 1.275 335 F HN 0.369 nan 8.300 nan 0.000 0.544 336 H N 0.424 119.586 119.070 0.153 0.000 2.786 336 H HA 0.321 4.878 4.556 0.002 0.000 0.284 336 H C -2.498 172.798 175.328 -0.053 0.000 1.104 336 H CA -1.889 54.179 56.048 0.033 0.000 1.339 336 H CB 0.957 30.727 29.762 0.013 0.000 1.427 336 H HN 0.311 nan 8.280 nan 0.000 0.497 337 P HA 0.052 nan 4.420 nan 0.000 0.271 337 P C -2.438 174.824 177.300 -0.065 0.000 1.218 337 P CA -1.185 61.819 63.100 -0.161 0.000 0.780 337 P CB 0.259 31.770 31.700 -0.316 0.000 0.901 338 P HA -0.018 nan 4.420 nan 0.000 0.266 338 P C -0.173 177.112 177.300 -0.026 0.000 1.193 338 P CA 0.170 63.249 63.100 -0.036 0.000 0.770 338 P CB 0.360 32.030 31.700 -0.050 0.000 0.836 339 K N 1.636 122.025 120.400 -0.018 0.000 2.484 339 K HA 0.383 4.704 4.320 0.002 0.000 0.280 339 K C 0.594 177.176 176.600 -0.030 0.000 1.013 339 K CA 0.797 57.070 56.287 -0.023 0.000 1.029 339 K CB -0.302 32.179 32.500 -0.031 0.000 0.902 339 K HN 0.782 nan 8.250 nan 0.000 0.481 340 G N 2.647 111.429 108.800 -0.030 0.000 2.335 340 G HA2 0.187 4.148 3.960 0.002 0.000 0.291 340 G HA3 0.187 4.148 3.960 0.002 0.000 0.291 340 G C -1.703 173.169 174.900 -0.046 0.000 1.261 340 G CA -0.758 44.320 45.100 -0.037 0.000 0.871 340 G HN 0.522 nan 8.290 nan 0.000 0.491 341 E N -1.109 119.046 120.200 -0.076 0.000 2.343 341 E HA 0.518 4.869 4.350 0.002 0.000 0.288 341 E C -1.370 175.104 176.600 -0.209 0.000 0.907 341 E CA -0.534 55.767 56.400 -0.166 0.000 0.792 341 E CB 2.876 32.493 29.700 -0.138 0.000 1.275 341 E HN 0.552 nan 8.360 nan 0.000 0.402 342 V N 3.387 123.138 119.914 -0.272 0.000 3.156 342 V HA 0.780 4.901 4.120 0.002 0.000 0.311 342 V C -2.050 173.974 176.094 -0.116 0.000 1.208 342 V CA -0.524 61.684 62.300 -0.153 0.000 1.063 342 V CB 2.276 34.053 31.823 -0.076 0.000 1.098 342 V HN 0.702 nan 8.190 nan 0.000 0.452 343 Y N 1.813 122.068 120.300 -0.076 0.000 2.583 343 Y HA 0.586 5.137 4.550 0.002 0.000 0.330 343 Y C -1.647 174.300 175.900 0.079 0.000 1.185 343 Y CA -0.367 57.770 58.100 0.062 0.000 1.107 343 Y CB 1.483 40.094 38.460 0.252 0.000 1.344 343 Y HN 0.892 nan 8.280 nan 0.000 0.463 344 V N 3.232 122.967 119.914 -0.299 0.000 2.610 344 V HA 0.659 4.780 4.120 0.002 0.000 0.298 344 V C -3.081 172.902 176.094 -0.185 0.000 1.067 344 V CA -1.911 60.360 62.300 -0.048 0.000 0.894 344 V CB 1.912 33.743 31.823 0.013 0.000 1.015 344 V HN 0.661 nan 8.190 nan 0.000 0.432 345 P HA 0.167 nan 4.420 nan 0.000 0.265 345 P C 0.091 177.516 177.300 0.208 0.000 1.222 345 P CA 0.762 63.968 63.100 0.177 0.000 0.767 345 P CB 1.154 33.023 31.700 0.283 0.000 0.801 346 T N 1.927 116.568 114.554 0.144 0.000 2.862 346 T HA 0.151 4.502 4.350 0.002 0.000 0.276 346 T C 0.199 175.014 174.700 0.191 0.000 0.974 346 T CA -0.570 61.651 62.100 0.202 0.000 0.966 346 T CB 0.403 69.226 68.868 -0.076 0.000 1.072 346 T HN 0.358 nan 8.240 nan 0.000 0.538 347 E N 0.584 120.801 120.200 0.028 0.000 2.641 347 E HA -0.043 4.308 4.350 0.002 0.000 0.272 347 E C 0.021 176.596 176.600 -0.042 0.000 0.990 347 E CA 0.307 56.664 56.400 -0.071 0.000 0.971 347 E CB 0.307 29.730 29.700 -0.462 0.000 0.967 347 E HN 0.514 nan 8.360 nan 0.000 0.464 348 S N 2.549 118.282 115.700 0.055 0.000 3.613 348 S HA 0.085 4.556 4.470 0.002 0.000 0.220 348 S C -0.137 174.505 174.600 0.069 0.000 1.261 348 S CA 0.101 58.395 58.200 0.156 0.000 1.143 348 S CB -0.354 63.064 63.200 0.364 0.000 1.315 348 S HN 0.534 nan 8.310 nan 0.000 0.450 349 A N 2.595 125.416 122.820 0.003 0.000 2.770 349 A HA 0.235 4.556 4.320 0.002 0.000 0.292 349 A C 1.249 178.911 177.584 0.130 0.000 1.604 349 A CA -0.155 51.948 52.037 0.111 0.000 1.271 349 A CB -0.688 18.190 19.000 -0.203 0.000 1.075 349 A HN 0.732 nan 8.150 nan 0.000 0.573 350 R N 0.341 120.929 120.500 0.146 0.000 3.875 350 R HA -0.195 4.146 4.340 0.002 0.000 0.321 350 R C 0.391 176.732 176.300 0.069 0.000 1.196 350 R CA 1.162 57.333 56.100 0.118 0.000 0.868 350 R CB -1.661 28.707 30.300 0.115 0.000 1.333 350 R HN 2.535 nan 8.270 nan 0.000 0.522 351 G N -0.344 108.501 108.800 0.075 0.000 2.317 351 G HA2 -0.051 3.910 3.960 0.002 0.000 0.445 351 G HA3 -0.051 3.910 3.960 0.002 0.000 0.445 351 G C -0.984 173.953 174.900 0.061 0.000 1.486 351 G CA -0.196 44.941 45.100 0.062 0.000 0.991 351 G HN 0.278 nan 8.290 nan 0.000 0.660 352 E N -0.635 119.609 120.200 0.074 0.000 2.481 352 E HA 0.330 4.681 4.350 0.002 0.000 0.263 352 E C -0.599 176.032 176.600 0.052 0.000 0.992 352 E CA -0.020 56.433 56.400 0.087 0.000 0.938 352 E CB 0.648 30.409 29.700 0.103 0.000 0.933 352 E HN 0.908 nan 8.360 nan 0.000 0.453 353 L N 2.803 124.044 121.223 0.031 0.000 2.469 353 L HA 0.795 5.136 4.340 0.002 0.000 0.256 353 L C -1.025 175.799 176.870 -0.076 0.000 1.006 353 L CA 0.088 54.895 54.840 -0.056 0.000 0.832 353 L CB 2.284 44.237 42.059 -0.176 0.000 1.421 353 L HN 0.577 nan 8.230 nan 0.000 0.410 354 G N 1.165 109.860 108.800 -0.175 0.000 2.473 354 G HA2 0.415 4.376 3.960 0.002 0.000 0.298 354 G HA3 0.415 4.376 3.960 0.002 0.000 0.298 354 G C -2.390 172.286 174.900 -0.373 0.000 1.575 354 G CA -0.553 44.315 45.100 -0.386 0.000 0.846 354 G HN 0.424 nan 8.290 nan 0.000 0.585 355 Y N 0.199 120.286 120.300 -0.356 0.000 2.323 355 Y HA 0.535 5.086 4.550 0.001 0.000 0.331 355 Y C -0.262 175.646 175.900 0.015 0.000 1.092 355 Y CA -0.567 57.493 58.100 -0.068 0.000 1.150 355 Y CB 1.956 40.445 38.460 0.047 0.000 1.200 355 Y HN 0.562 nan 8.280 nan 0.000 0.472 356 Y N 4.766 125.199 120.300 0.222 0.000 2.919 356 Y HA 0.518 5.069 4.550 0.001 0.000 0.341 356 Y C -0.881 175.145 175.900 0.210 0.000 1.045 356 Y CA -0.785 57.501 58.100 0.310 0.000 1.218 356 Y CB -0.168 38.504 38.460 0.352 0.000 1.137 356 Y HN 0.466 nan 8.280 nan 0.000 0.577 357 I N 5.003 125.617 120.570 0.073 0.000 2.428 357 I HA 0.259 4.430 4.170 0.002 0.000 0.289 357 I C -0.548 175.554 176.117 -0.025 0.000 1.019 357 I CA -0.934 60.412 61.300 0.077 0.000 1.351 357 I CB 1.353 39.412 38.000 0.099 0.000 1.412 357 I HN 0.158 nan 8.210 nan 0.000 0.513 358 V N 5.447 125.409 119.914 0.079 0.000 2.284 358 V HA 0.148 4.268 4.120 0.002 0.000 0.274 358 V C 0.289 176.480 176.094 0.161 0.000 1.023 358 V CA -0.273 62.085 62.300 0.096 0.000 0.808 358 V CB 1.222 33.170 31.823 0.208 0.000 1.035 358 V HN 0.825 nan 8.190 nan 0.000 0.445 359 S N 3.095 118.866 115.700 0.119 0.000 2.580 359 S HA 0.238 4.709 4.470 0.002 0.000 0.274 359 S C 0.530 175.176 174.600 0.077 0.000 1.329 359 S CA -0.209 58.084 58.200 0.156 0.000 1.036 359 S CB 0.620 63.876 63.200 0.093 0.000 0.919 359 S HN 0.923 nan 8.310 nan 0.000 0.515 360 D N 1.674 122.123 120.400 0.081 0.000 2.673 360 D HA 0.189 4.830 4.640 0.002 0.000 0.278 360 D C 0.796 177.104 176.300 0.012 0.000 1.393 360 D CA 0.278 54.269 54.000 -0.015 0.000 0.805 360 D CB -0.478 40.273 40.800 -0.082 0.000 1.110 360 D HN 0.905 nan 8.370 nan 0.000 0.476 361 G N -0.315 108.510 108.800 0.042 0.000 2.176 361 G HA2 -0.094 3.867 3.960 0.002 0.000 0.252 361 G HA3 -0.094 3.867 3.960 0.002 0.000 0.252 361 G C 0.528 175.485 174.900 0.096 0.000 1.024 361 G CA 0.065 45.209 45.100 0.072 0.000 0.755 361 G HN 0.832 nan 8.290 nan 0.000 0.507 362 G N -1.735 107.063 108.800 -0.003 0.000 3.016 362 G HA2 0.599 4.560 3.960 0.002 0.000 0.270 362 G HA3 0.599 4.560 3.960 0.002 0.000 0.270 362 G C 0.807 175.429 174.900 -0.463 0.000 1.352 362 G CA 0.843 45.833 45.100 -0.184 0.000 1.060 362 G HN 0.630 nan 8.290 nan 0.000 0.538 363 S N -1.076 114.330 115.700 -0.490 0.000 2.548 363 S HA 0.290 4.761 4.470 0.002 0.000 0.215 363 S C 0.708 175.323 174.600 0.025 0.000 0.976 363 S CA 0.198 58.183 58.200 -0.357 0.000 0.908 363 S CB -0.362 62.646 63.200 -0.320 0.000 0.781 363 S HN 0.349 nan 8.310 nan 0.000 0.519 364 M N 2.673 122.282 119.600 0.015 0.000 2.395 364 M HA 0.433 4.914 4.480 0.002 0.000 0.307 364 M C -2.694 173.500 176.300 -0.176 0.000 1.091 364 M CA -2.372 52.827 55.300 -0.168 0.000 0.919 364 M CB 2.206 34.696 32.600 -0.184 0.000 1.662 364 M HN -0.148 nan 8.290 nan 0.000 0.440 365 P HA -0.108 nan 4.420 nan 0.000 0.267 365 P C -0.470 176.793 177.300 -0.062 0.000 1.200 365 P CA 0.209 63.166 63.100 -0.237 0.000 0.772 365 P CB 0.811 32.290 31.700 -0.369 0.000 0.855 366 Y N 3.452 123.725 120.300 -0.045 0.000 2.286 366 Y HA 0.060 4.611 4.550 0.002 0.000 0.293 366 Y C 1.278 177.148 175.900 -0.049 0.000 1.124 366 Y CA 1.271 59.343 58.100 -0.046 0.000 1.178 366 Y CB 0.499 38.959 38.460 -0.001 0.000 1.010 366 Y HN 0.347 nan 8.280 nan 0.000 0.536 367 R N -0.165 120.334 120.500 -0.001 0.000 2.579 367 R HA 0.489 4.830 4.340 0.002 0.000 0.260 367 R C -2.523 173.823 176.300 0.078 0.000 1.103 367 R CA -0.529 55.547 56.100 -0.040 0.000 0.942 367 R CB 1.582 31.883 30.300 0.001 0.000 1.251 367 R HN -0.159 nan 8.270 nan 0.000 0.450 368 V N 3.831 123.787 119.914 0.070 0.000 2.525 368 V HA 0.380 4.501 4.120 0.002 0.000 0.299 368 V C -0.875 175.303 176.094 0.140 0.000 1.034 368 V CA -0.755 61.639 62.300 0.157 0.000 0.863 368 V CB 1.822 33.745 31.823 0.167 0.000 0.999 368 V HN 0.614 nan 8.190 nan 0.000 0.423 369 K N 4.487 125.000 120.400 0.188 0.000 2.292 369 K HA 0.713 5.034 4.320 0.002 0.000 0.257 369 K C -1.213 175.395 176.600 0.014 0.000 0.940 369 K CA -0.403 55.938 56.287 0.090 0.000 0.811 369 K CB 1.857 34.410 32.500 0.089 0.000 1.120 369 K HN 0.385 nan 8.250 nan 0.000 0.428 370 V N 5.965 125.796 119.914 -0.138 0.000 2.427 370 V HA 0.371 4.492 4.120 0.002 0.000 0.286 370 V C 1.644 177.625 176.094 -0.188 0.000 1.034 370 V CA -0.707 61.375 62.300 -0.363 0.000 0.893 370 V CB 1.269 32.825 31.823 -0.445 0.000 0.982 370 V HN 0.895 nan 8.190 nan 0.000 0.452 371 R N 4.214 124.633 120.500 -0.135 0.000 2.082 371 R HA 0.020 4.361 4.340 0.002 0.000 0.234 371 R C 0.822 177.107 176.300 -0.025 0.000 1.136 371 R CA 1.526 57.627 56.100 0.002 0.000 0.935 371 R CB -0.284 30.068 30.300 0.087 0.000 0.842 371 R HN 1.352 nan 8.270 nan 0.000 0.430 372 A N 0.581 123.359 122.820 -0.070 0.000 1.758 372 A HA -0.082 4.239 4.320 0.002 0.000 0.226 372 A C -1.592 176.039 177.584 0.078 0.000 1.327 372 A CA 0.250 52.284 52.037 -0.006 0.000 0.681 372 A CB -1.024 17.954 19.000 -0.037 0.000 1.173 372 A HN 0.470 nan 8.150 nan 0.000 0.234 373 P HA -0.273 nan 4.420 nan 0.000 0.210 373 P C 1.917 179.266 177.300 0.082 0.000 1.189 373 P CA 2.189 65.328 63.100 0.065 0.000 0.920 373 P CB -0.375 31.349 31.700 0.040 0.000 0.782 374 S N 0.324 116.067 115.700 0.072 0.000 2.407 374 S HA -0.301 4.170 4.470 0.002 0.000 0.244 374 S C 1.970 176.626 174.600 0.094 0.000 1.077 374 S CA 1.950 60.189 58.200 0.065 0.000 1.159 374 S CB -2.246 60.989 63.200 0.058 0.000 1.045 374 S HN 0.092 nan 8.310 nan 0.000 0.438 375 F N 2.886 122.828 119.950 -0.013 0.000 2.214 375 F HA -0.174 4.353 4.527 0.001 0.000 0.302 375 F C 2.134 177.926 175.800 -0.014 0.000 1.063 375 F CA 1.822 59.814 58.000 -0.013 0.000 1.319 375 F CB -0.331 38.658 39.000 -0.018 0.000 1.046 375 F HN 0.291 nan 8.300 nan 0.000 0.505 376 V N -2.683 117.210 119.914 -0.036 0.000 2.922 376 V HA 0.040 4.161 4.120 0.002 0.000 0.242 376 V C 1.896 177.924 176.094 -0.111 0.000 1.094 376 V CA 1.315 63.532 62.300 -0.137 0.000 1.106 376 V CB -0.866 30.949 31.823 -0.014 0.000 0.799 376 V HN 0.155 nan 8.190 nan 0.000 0.474 377 N N 1.203 119.873 118.700 -0.049 0.000 2.272 377 N HA -0.103 4.638 4.740 0.002 0.000 0.185 377 N C 1.437 176.913 175.510 -0.057 0.000 1.014 377 N CA 1.627 54.653 53.050 -0.041 0.000 0.870 377 N CB -0.633 37.844 38.487 -0.016 0.000 0.975 377 N HN 0.485 nan 8.380 nan 0.000 0.433 378 L N 1.035 122.209 121.223 -0.081 0.000 2.456 378 L HA -0.051 4.290 4.340 0.002 0.000 0.224 378 L C 1.599 178.402 176.870 -0.111 0.000 1.148 378 L CA 1.237 56.027 54.840 -0.085 0.000 0.825 378 L CB -0.244 41.759 42.059 -0.093 0.000 0.937 378 L HN 0.237 nan 8.230 nan 0.000 0.450 379 Q N -2.052 117.663 119.800 -0.142 0.000 2.331 379 Q HA -0.041 4.300 4.340 0.002 0.000 0.203 379 Q C 2.075 178.035 176.000 -0.067 0.000 0.944 379 Q CA 1.147 56.874 55.803 -0.128 0.000 0.892 379 Q CB 0.048 28.694 28.738 -0.154 0.000 0.983 379 Q HN 0.484 nan 8.270 nan 0.000 0.482 380 S N 1.614 117.282 115.700 -0.054 0.000 2.387 380 S HA -0.081 4.390 4.470 0.002 0.000 0.226 380 S C 1.900 176.525 174.600 0.042 0.000 1.026 380 S CA 0.438 58.624 58.200 -0.024 0.000 0.972 380 S CB -0.227 62.950 63.200 -0.038 0.000 0.814 380 S HN 0.336 nan 8.310 nan 0.000 0.477 381 L N 2.513 123.749 121.223 0.023 0.000 2.034 381 L HA -0.165 4.176 4.340 0.002 0.000 0.217 381 L C -1.145 175.759 176.870 0.057 0.000 1.077 381 L CA 1.833 56.698 54.840 0.041 0.000 0.769 381 L CB -1.254 40.814 42.059 0.016 0.000 0.890 381 L HN 0.198 nan 8.230 nan 0.000 0.435 382 P HA -0.257 nan 4.420 nan 0.000 0.214 382 P C 1.068 178.412 177.300 0.073 0.000 1.163 382 P CA 1.850 64.972 63.100 0.036 0.000 0.889 382 P CB -0.249 31.463 31.700 0.020 0.000 0.790 383 Y N 0.497 120.785 120.300 -0.020 0.000 2.153 383 Y HA -0.100 4.451 4.550 0.001 0.000 0.289 383 Y C 2.372 178.270 175.900 -0.003 0.000 1.127 383 Y CA 1.296 59.389 58.100 -0.012 0.000 1.131 383 Y CB -1.288 37.163 38.460 -0.014 0.000 0.995 383 Y HN -0.123 nan 8.280 nan 0.000 0.505 384 A N 0.262 123.318 122.820 0.394 0.000 1.916 384 A HA -0.396 3.925 4.320 0.002 0.000 0.224 384 A C 2.078 179.723 177.584 0.102 0.000 1.366 384 A CA 2.797 54.988 52.037 0.256 0.000 0.692 384 A CB -1.953 17.134 19.000 0.144 0.000 0.841 384 A HN 0.927 nan 8.150 nan 0.000 0.480 385 C N -2.550 116.779 119.300 0.048 0.000 2.563 385 C HA 0.655 5.116 4.460 0.002 0.000 0.307 385 C C 1.747 176.713 174.990 -0.039 0.000 1.371 385 C CA -0.134 58.889 59.018 0.009 0.000 1.772 385 C CB -0.726 27.030 27.740 0.026 0.000 2.283 385 C HN 0.559 nan 8.230 nan 0.000 0.570 386 K N 2.661 122.995 120.400 -0.109 0.000 2.009 386 K HA 0.016 4.337 4.320 0.002 0.000 0.210 386 K C 1.177 177.703 176.600 -0.123 0.000 1.049 386 K CA 2.226 58.420 56.287 -0.156 0.000 0.929 386 K CB -0.676 31.620 32.500 -0.340 0.000 0.714 386 K HN 0.575 nan 8.250 nan 0.000 0.440 387 G N 1.484 110.204 108.800 -0.133 0.000 4.160 387 G HA2 0.398 4.359 3.960 0.002 0.000 0.341 387 G HA3 0.398 4.359 3.960 0.002 0.000 0.341 387 G C -1.287 173.583 174.900 -0.050 0.000 1.510 387 G CA -0.516 44.533 45.100 -0.086 0.000 1.011 387 G HN 0.321 nan 8.290 nan 0.000 0.491 388 E N 0.396 120.578 120.200 -0.030 0.000 2.429 388 E HA 0.225 4.576 4.350 0.002 0.000 0.280 388 E C -1.257 175.341 176.600 -0.004 0.000 1.068 388 E CA -1.012 55.382 56.400 -0.010 0.000 0.837 388 E CB 0.679 30.383 29.700 0.006 0.000 1.357 388 E HN 0.042 nan 8.360 nan 0.000 0.455 389 Q N 0.903 120.703 119.800 0.000 0.000 2.300 389 Q HA 0.085 4.426 4.340 0.002 0.000 0.280 389 Q C 1.365 177.366 176.000 0.001 0.000 1.033 389 Q CA 0.152 55.952 55.803 -0.004 0.000 0.903 389 Q CB 1.149 29.880 28.738 -0.012 0.000 1.195 389 Q HN 0.503 nan 8.270 nan 0.000 0.386 390 V N 5.217 125.131 119.914 -0.001 0.000 2.317 390 V HA -0.265 3.856 4.120 0.002 0.000 0.251 390 V C -0.761 175.337 176.094 0.006 0.000 1.065 390 V CA 2.192 64.494 62.300 0.004 0.000 1.049 390 V CB -1.406 30.418 31.823 0.002 0.000 0.651 390 V HN 0.689 nan 8.190 nan 0.000 0.450 391 P HA -0.139 nan 4.420 nan 0.000 0.217 391 P C 1.115 178.417 177.300 0.004 0.000 1.148 391 P CA 1.484 64.574 63.100 -0.016 0.000 0.828 391 P CB -0.059 31.611 31.700 -0.049 0.000 0.783 392 D N -1.860 118.552 120.400 0.019 0.000 2.349 392 D HA 0.021 4.662 4.640 0.002 0.000 0.215 392 D C 1.402 177.747 176.300 0.076 0.000 1.016 392 D CA 0.347 54.389 54.000 0.070 0.000 0.870 392 D CB -0.283 40.568 40.800 0.084 0.000 0.917 392 D HN 0.234 nan 8.370 nan 0.000 0.524 393 M N 0.968 120.598 119.600 0.050 0.000 2.740 393 M HA -0.060 4.421 4.480 0.002 0.000 0.230 393 M C 0.882 177.216 176.300 0.057 0.000 1.100 393 M CA 0.268 55.597 55.300 0.049 0.000 1.047 393 M CB 0.176 32.796 32.600 0.032 0.000 1.652 393 M HN -0.184 nan 8.290 nan 0.000 0.528 394 V N -0.310 119.644 119.914 0.067 0.000 2.391 394 V HA 0.000 4.121 4.120 0.002 0.000 0.237 394 V C 2.349 178.494 176.094 0.085 0.000 1.046 394 V CA 1.541 63.882 62.300 0.069 0.000 1.053 394 V CB -0.854 31.007 31.823 0.064 0.000 0.704 394 V HN 0.559 nan 8.190 nan 0.000 0.475 395 A N -0.221 122.660 122.820 0.102 0.000 2.070 395 A HA -0.193 4.128 4.320 0.002 0.000 0.220 395 A C 2.078 179.731 177.584 0.115 0.000 1.159 395 A CA 1.726 53.830 52.037 0.111 0.000 0.656 395 A CB -0.648 18.426 19.000 0.124 0.000 0.800 395 A HN 0.473 nan 8.150 nan 0.000 0.453 396 I N -0.237 120.394 120.570 0.103 0.000 2.361 396 I HA -0.204 3.967 4.170 0.002 0.000 0.251 396 I C 2.035 178.207 176.117 0.091 0.000 1.133 396 I CA 1.312 62.668 61.300 0.094 0.000 1.413 396 I CB -0.078 37.968 38.000 0.076 0.000 1.073 396 I HN 0.394 nan 8.210 nan 0.000 0.424 397 I N -0.291 120.331 120.570 0.087 0.000 2.385 397 I HA -0.081 4.090 4.170 0.002 0.000 0.244 397 I C 2.478 178.660 176.117 0.109 0.000 1.089 397 I CA 0.940 62.289 61.300 0.082 0.000 1.410 397 I CB -0.723 37.318 38.000 0.068 0.000 1.117 397 I HN 0.145 nan 8.210 nan 0.000 0.429 398 A N 1.101 124.001 122.820 0.133 0.000 2.084 398 A HA -0.225 4.096 4.320 0.002 0.000 0.221 398 A C 2.383 180.152 177.584 0.307 0.000 1.161 398 A CA 2.080 54.235 52.037 0.196 0.000 0.653 398 A CB -0.778 18.321 19.000 0.166 0.000 0.802 398 A HN 0.573 nan 8.150 nan 0.000 0.457 399 S N -0.662 115.179 115.700 0.235 0.000 2.481 399 S HA 0.068 4.539 4.470 0.002 0.000 0.231 399 S C 1.447 176.109 174.600 0.104 0.000 0.996 399 S CA 1.028 59.381 58.200 0.254 0.000 0.942 399 S CB -0.413 62.885 63.200 0.163 0.000 0.768 399 S HN 0.488 nan 8.310 nan 0.000 0.520 400 L N 0.909 122.173 121.223 0.068 0.000 2.585 400 L HA 0.219 4.560 4.340 0.002 0.000 0.226 400 L C 0.470 177.313 176.870 -0.044 0.000 1.113 400 L CA 0.164 55.002 54.840 -0.003 0.000 0.876 400 L CB -0.604 41.467 42.059 0.019 0.000 1.072 400 L HN 0.210 nan 8.230 nan 0.000 0.468 401 D N 0.966 121.356 120.400 -0.017 0.000 2.704 401 D HA -0.127 4.514 4.640 0.002 0.000 0.232 401 D C -2.096 174.209 176.300 0.008 0.000 1.183 401 D CA 0.130 54.117 54.000 -0.022 0.000 0.647 401 D CB -0.046 40.581 40.800 -0.288 0.000 1.013 401 D HN 0.184 nan 8.370 nan 0.000 0.415 402 P HA 0.249 nan 4.420 nan 0.000 0.284 402 P C -0.602 176.723 177.300 0.042 0.000 1.253 402 P CA -0.567 62.555 63.100 0.036 0.000 0.800 402 P CB 1.559 33.285 31.700 0.042 0.000 0.961 403 V N 4.900 124.820 119.914 0.010 0.000 2.376 403 V HA 0.110 4.231 4.120 0.002 0.000 0.287 403 V C 1.795 177.879 176.094 -0.016 0.000 1.015 403 V CA -0.605 61.671 62.300 -0.040 0.000 0.834 403 V CB 1.203 32.916 31.823 -0.183 0.000 1.001 403 V HN 0.464 nan 8.190 nan 0.000 0.428 404 M N 3.044 122.683 119.600 0.065 0.000 2.089 404 M HA -0.125 4.356 4.480 0.002 0.000 0.257 404 M C 2.279 178.637 176.300 0.096 0.000 1.071 404 M CA 2.336 57.703 55.300 0.111 0.000 1.096 404 M CB -1.451 31.249 32.600 0.167 0.000 1.330 404 M HN 0.805 nan 8.290 nan 0.000 0.403 405 G N -0.255 108.622 108.800 0.129 0.000 2.462 405 G HA2 -0.258 3.703 3.960 0.002 0.000 0.220 405 G HA3 -0.258 3.703 3.960 0.002 0.000 0.220 405 G C 1.420 176.251 174.900 -0.116 0.000 1.121 405 G CA 1.179 46.344 45.100 0.108 0.000 0.758 405 G HN 0.526 nan 8.290 nan 0.000 0.559 406 D N -0.092 120.231 120.400 -0.129 0.000 2.162 406 D HA -0.072 4.569 4.640 0.002 0.000 0.203 406 D C 2.589 178.871 176.300 -0.031 0.000 0.967 406 D CA 1.177 55.110 54.000 -0.111 0.000 0.840 406 D CB 0.040 40.800 40.800 -0.066 0.000 0.972 406 D HN 0.202 nan 8.370 nan 0.000 0.482 407 V N 0.643 120.586 119.914 0.048 0.000 2.379 407 V HA -0.098 4.022 4.120 0.002 0.000 0.243 407 V C 1.420 177.579 176.094 0.107 0.000 1.035 407 V CA 1.755 64.156 62.300 0.168 0.000 1.035 407 V CB -0.200 31.764 31.823 0.235 0.000 0.673 407 V HN -0.080 nan 8.190 nan 0.000 0.457 408 D N 0.765 121.223 120.400 0.096 0.000 2.269 408 D HA -0.045 4.596 4.640 0.002 0.000 0.208 408 D C 1.448 177.806 176.300 0.097 0.000 0.963 408 D CA 0.723 54.792 54.000 0.115 0.000 0.864 408 D CB -0.439 40.456 40.800 0.158 0.000 0.936 408 D HN 0.649 nan 8.370 nan 0.000 0.505 409 R N 0.000 120.466 120.500 -0.057 0.000 2.786 409 R HA 0.000 4.341 4.340 0.002 0.000 0.208 409 R CA 0.000 55.966 56.100 -0.224 0.000 0.921 409 R CB 0.000 30.110 30.300 -0.318 0.000 0.687 409 R HN 0.000 nan 8.270 nan 0.000 0.535