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 3mj4_1_H DATA FIRST_RESID 27 DATA SEQUENCE SKGFDYLIVG AGFAGSVLAE RLASSGQRVL IVDRRPHIGG NAYDCYDDAG DATA SEQUENCE VLIHPYGPHI FHTNSKDVFE YLSRFTEWRP YQHRVLASVD GQLLPIPINL DATA SEQUENCE DTVNRLYGLN LTSFQVEEFF ASVAEKVEQV RTSEDVVVSK VGRDLYNKFF DATA SEQUENCE RGYTRKQWGL DPSELDASVT ARVPTRTNRD NRYFADTYQA MPLHGYTRMF DATA SEQUENCE QNMLSSPNIK VMLNTDYREI ADFIPFQHMI YTGPVDAFFD FCYGKLPYRS DATA SEQUENCE LEFRHETHDT EQLLPTGTVN YPNDYAYTRV SEFKHITGQR HHQTSVVYEY DATA SEQUENCE PRAEGDPYYP VPRPENAELY KKYEALADAA QDVTFVGRLA TYRYYNMDQV DATA SEQUENCE VAQALATFRR LQGQ 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.539 174.600 -0.102 0.000 1.055 27 S CA 0.000 58.146 58.200 -0.090 0.000 1.107 27 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 28 K N 1.554 121.897 120.400 -0.094 0.000 2.576 28 K HA 0.543 4.864 4.320 0.001 0.000 0.209 28 K C 0.786 177.333 176.600 -0.089 0.000 1.049 28 K CA 0.389 56.633 56.287 -0.071 0.000 1.140 28 K CB 0.779 33.257 32.500 -0.036 0.000 0.871 28 K HN 0.892 nan 8.250 nan 0.000 0.479 29 G N 0.281 108.958 108.800 -0.205 0.000 2.339 29 G HA2 0.125 4.086 3.960 0.001 0.000 0.275 29 G HA3 0.125 4.086 3.960 0.001 0.000 0.275 29 G C -1.749 172.860 174.900 -0.486 0.000 1.323 29 G CA -1.001 43.958 45.100 -0.236 0.000 0.927 29 G HN 0.016 nan 8.290 nan 0.000 0.486 30 F N 0.146 120.163 119.950 0.112 0.000 2.593 30 F HA 0.536 5.065 4.527 0.002 0.000 0.320 30 F C 0.876 176.748 175.800 0.120 0.000 1.060 30 F CA -0.752 57.320 58.000 0.121 0.000 0.940 30 F CB 2.036 41.115 39.000 0.132 0.000 1.268 30 F HN 0.373 nan 8.300 nan 0.000 0.475 31 D N 0.082 120.666 120.400 0.306 0.000 2.091 31 D HA -0.098 4.542 4.640 0.001 0.000 0.199 31 D C -0.352 175.968 176.300 0.033 0.000 0.980 31 D CA 1.856 55.934 54.000 0.130 0.000 0.831 31 D CB -0.052 40.846 40.800 0.163 0.000 0.987 31 D HN 0.310 nan 8.370 nan 0.000 0.460 32 Y N -0.148 120.304 120.300 0.253 0.000 2.364 32 Y HA 0.375 4.926 4.550 0.001 0.000 0.340 32 Y C -0.329 175.582 175.900 0.019 0.000 0.975 32 Y CA -1.212 56.993 58.100 0.174 0.000 1.089 32 Y CB 1.893 40.431 38.460 0.130 0.000 1.192 32 Y HN -0.210 nan 8.280 nan 0.000 0.454 33 L N 5.597 126.812 121.223 -0.014 0.000 2.262 33 L HA 0.563 4.904 4.340 0.001 0.000 0.288 33 L C -1.186 175.519 176.870 -0.274 0.000 1.035 33 L CA -0.266 54.358 54.840 -0.359 0.000 0.820 33 L CB -0.024 41.446 42.059 -0.982 0.000 1.204 33 L HN 0.509 nan 8.230 nan 0.000 0.424 34 I N 6.100 126.545 120.570 -0.208 0.000 2.312 34 I HA 0.279 4.450 4.170 0.001 0.000 0.290 34 I C -0.509 175.468 176.117 -0.233 0.000 1.008 34 I CA -0.822 60.369 61.300 -0.182 0.000 1.226 34 I CB 1.591 39.512 38.000 -0.132 0.000 1.371 34 I HN 0.279 nan 8.210 nan 0.000 0.468 35 V N 5.899 125.650 119.914 -0.271 0.000 2.364 35 V HA 0.706 4.827 4.120 0.001 0.000 0.272 35 V C 0.511 176.421 176.094 -0.306 0.000 1.036 35 V CA -0.261 61.869 62.300 -0.283 0.000 0.880 35 V CB 0.606 32.220 31.823 -0.347 0.000 0.991 35 V HN 1.073 nan 8.190 nan 0.000 0.460 36 G N 4.190 112.843 108.800 -0.246 0.000 3.233 36 G HA2 0.283 4.244 3.960 0.001 0.000 0.686 36 G HA3 0.283 4.244 3.960 0.001 0.000 0.686 36 G C -0.107 174.661 174.900 -0.220 0.000 1.153 36 G CA -0.259 44.693 45.100 -0.248 0.000 0.853 36 G HN 1.399 nan 8.290 nan 0.000 0.582 37 A N 1.578 124.249 122.820 -0.247 0.000 2.610 37 A HA 0.758 5.079 4.320 0.001 0.000 0.286 37 A C 1.507 178.890 177.584 -0.336 0.000 1.306 37 A CA 1.233 53.120 52.037 -0.252 0.000 0.942 37 A CB -0.190 18.651 19.000 -0.265 0.000 1.112 37 A HN 2.131 nan 8.150 nan 0.000 0.527 38 G N -1.365 107.274 108.800 -0.269 0.000 2.516 38 G HA2 0.365 4.326 3.960 0.001 0.000 0.276 38 G HA3 0.365 4.326 3.960 0.001 0.000 0.276 38 G C 0.615 175.518 174.900 0.005 0.000 1.390 38 G CA -0.438 44.508 45.100 -0.258 0.000 1.050 38 G HN 0.174 nan 8.290 nan 0.000 0.519 39 F N 0.686 120.784 119.950 0.245 0.000 2.091 39 F HA -0.159 4.369 4.527 0.001 0.000 0.299 39 F C 3.086 178.973 175.800 0.145 0.000 1.103 39 F CA 1.996 60.180 58.000 0.306 0.000 1.228 39 F CB -0.256 38.889 39.000 0.241 0.000 0.984 39 F HN 0.364 nan 8.300 nan 0.000 0.477 40 A N 0.274 123.259 122.820 0.275 0.000 1.849 40 A HA -0.171 4.150 4.320 0.001 0.000 0.217 40 A C 2.519 180.142 177.584 0.065 0.000 1.202 40 A CA 2.092 54.215 52.037 0.145 0.000 0.629 40 A CB -1.687 17.370 19.000 0.094 0.000 0.834 40 A HN 0.421 nan 8.150 nan 0.000 0.447 41 G N -1.456 107.346 108.800 0.003 0.000 2.422 41 G HA2 -0.062 3.899 3.960 0.001 0.000 0.218 41 G HA3 -0.062 3.899 3.960 0.001 0.000 0.218 41 G C 1.785 176.662 174.900 -0.039 0.000 1.140 41 G CA 1.305 46.372 45.100 -0.055 0.000 0.775 41 G HN 0.490 nan 8.290 nan 0.000 0.545 42 S N -0.310 115.400 115.700 0.017 0.000 2.387 42 S HA -0.040 4.431 4.470 0.001 0.000 0.226 42 S C 2.486 177.088 174.600 0.002 0.000 1.026 42 S CA 0.807 59.023 58.200 0.026 0.000 0.972 42 S CB -0.061 63.243 63.200 0.174 0.000 0.814 42 S HN 0.171 nan 8.310 nan 0.000 0.477 43 V N 1.867 121.818 119.914 0.063 0.000 2.427 43 V HA -0.097 4.024 4.120 0.001 0.000 0.248 43 V C 2.117 178.172 176.094 -0.065 0.000 1.051 43 V CA 1.360 63.689 62.300 0.048 0.000 1.048 43 V CB -0.527 31.317 31.823 0.035 0.000 0.666 43 V HN 0.393 nan 8.190 nan 0.000 0.456 44 L N -0.203 120.978 121.223 -0.070 0.000 2.093 44 L HA -0.118 4.223 4.340 0.001 0.000 0.208 44 L C 2.611 179.374 176.870 -0.178 0.000 1.085 44 L CA 1.437 56.203 54.840 -0.123 0.000 0.755 44 L CB -0.547 41.472 42.059 -0.066 0.000 0.904 44 L HN 0.355 nan 8.230 nan 0.000 0.435 45 A N -0.774 121.966 122.820 -0.133 0.000 1.930 45 A HA -0.209 4.112 4.320 0.001 0.000 0.217 45 A C 2.299 179.802 177.584 -0.135 0.000 1.175 45 A CA 1.520 53.481 52.037 -0.128 0.000 0.627 45 A CB -0.402 18.538 19.000 -0.101 0.000 0.815 45 A HN 0.389 nan 8.150 nan 0.000 0.443 46 E N 0.055 120.171 120.200 -0.139 0.000 2.072 46 E HA -0.183 4.168 4.350 0.001 0.000 0.191 46 E C 2.132 178.636 176.600 -0.160 0.000 0.985 46 E CA 0.737 57.060 56.400 -0.128 0.000 0.801 46 E CB -0.239 29.372 29.700 -0.149 0.000 0.750 46 E HN 0.350 nan 8.360 nan 0.000 0.452 47 R N 0.289 120.601 120.500 -0.314 0.000 2.070 47 R HA -0.099 4.241 4.340 0.001 0.000 0.233 47 R C 2.481 178.368 176.300 -0.689 0.000 1.137 47 R CA 0.630 56.263 56.100 -0.779 0.000 0.945 47 R CB -1.089 28.365 30.300 -1.410 0.000 0.845 47 R HN 0.224 nan 8.270 nan 0.000 0.430 48 L N 0.647 121.632 121.223 -0.396 0.000 2.012 48 L HA -0.118 4.223 4.340 0.001 0.000 0.210 48 L C 2.438 179.317 176.870 0.016 0.000 1.073 48 L CA 2.062 56.858 54.840 -0.073 0.000 0.748 48 L CB -1.329 40.593 42.059 -0.228 0.000 0.891 48 L HN 0.175 nan 8.230 nan 0.000 0.431 49 A N -0.979 121.824 122.820 -0.029 0.000 1.898 49 A HA -0.184 4.137 4.320 0.001 0.000 0.216 49 A C 2.417 180.023 177.584 0.038 0.000 1.181 49 A CA 1.837 53.889 52.037 0.025 0.000 0.620 49 A CB -0.838 18.166 19.000 0.006 0.000 0.819 49 A HN 0.557 nan 8.150 nan 0.000 0.442 50 S N -0.137 115.568 115.700 0.009 0.000 2.507 50 S HA -0.074 4.397 4.470 0.001 0.000 0.235 50 S C 1.610 176.259 174.600 0.081 0.000 0.988 50 S CA 1.346 59.569 58.200 0.038 0.000 0.944 50 S CB -0.524 62.693 63.200 0.027 0.000 0.762 50 S HN 0.865 nan 8.310 nan 0.000 0.526 51 S N 0.015 115.787 115.700 0.120 0.000 2.572 51 S HA 0.502 4.973 4.470 0.001 0.000 0.228 51 S C 1.306 175.995 174.600 0.148 0.000 0.963 51 S CA 0.373 58.681 58.200 0.179 0.000 0.939 51 S CB -0.514 62.883 63.200 0.328 0.000 0.804 51 S HN 1.425 nan 8.310 nan 0.000 0.480 52 G N 0.738 109.610 108.800 0.119 0.000 2.157 52 G HA2 -0.186 3.775 3.960 0.001 0.000 0.239 52 G HA3 -0.186 3.775 3.960 0.001 0.000 0.239 52 G C -0.158 174.821 174.900 0.133 0.000 0.982 52 G CA -0.075 45.091 45.100 0.109 0.000 0.650 52 G HN 0.555 nan 8.290 nan 0.000 0.527 53 Q N 0.146 120.046 119.800 0.168 0.000 2.340 53 Q HA 0.449 4.790 4.340 0.001 0.000 0.249 53 Q C 0.579 176.705 176.000 0.211 0.000 0.957 53 Q CA -0.082 55.858 55.803 0.228 0.000 0.882 53 Q CB 0.735 29.671 28.738 0.328 0.000 1.235 53 Q HN 0.517 nan 8.270 nan 0.000 0.439 54 R N 0.781 121.431 120.500 0.250 0.000 2.198 54 R HA 0.400 4.741 4.340 0.001 0.000 0.339 54 R C -0.650 175.895 176.300 0.408 0.000 1.020 54 R CA -0.358 55.912 56.100 0.284 0.000 0.864 54 R CB 0.700 31.135 30.300 0.225 0.000 1.105 54 R HN 0.233 nan 8.270 nan 0.000 0.463 55 V N 5.074 125.168 119.914 0.300 0.000 2.398 55 V HA 0.251 4.372 4.120 0.001 0.000 0.286 55 V C -0.489 175.565 176.094 -0.066 0.000 1.026 55 V CA -0.925 61.468 62.300 0.156 0.000 0.868 55 V CB 1.581 33.437 31.823 0.055 0.000 0.982 55 V HN 0.484 nan 8.190 nan 0.000 0.443 56 L N 6.880 127.839 121.223 -0.440 0.000 2.277 56 L HA 0.591 4.932 4.340 0.001 0.000 0.284 56 L C -0.530 176.105 176.870 -0.391 0.000 1.028 56 L CA 0.206 54.608 54.840 -0.729 0.000 0.835 56 L CB 0.744 41.883 42.059 -1.534 0.000 1.215 56 L HN 0.645 nan 8.230 nan 0.000 0.425 57 I N 5.443 125.856 120.570 -0.261 0.000 2.353 57 I HA 0.481 4.651 4.170 0.001 0.000 0.293 57 I C -0.953 175.041 176.117 -0.205 0.000 0.992 57 I CA -0.508 60.666 61.300 -0.209 0.000 1.268 57 I CB 1.595 39.500 38.000 -0.158 0.000 1.387 57 I HN 0.538 nan 8.210 nan 0.000 0.478 58 V N 7.426 127.220 119.914 -0.200 0.000 2.823 58 V HA 0.616 4.736 4.120 0.001 0.000 0.312 58 V C -1.408 174.588 176.094 -0.162 0.000 1.072 58 V CA -0.284 61.914 62.300 -0.169 0.000 0.937 58 V CB 2.128 33.860 31.823 -0.152 0.000 1.013 58 V HN 0.785 nan 8.190 nan 0.000 0.430 59 D N 3.752 124.055 120.400 -0.161 0.000 2.947 59 D HA 0.322 4.963 4.640 0.001 0.000 0.224 59 D C 0.678 176.879 176.300 -0.165 0.000 1.230 59 D CA -0.512 53.376 54.000 -0.187 0.000 0.871 59 D CB 2.332 42.973 40.800 -0.266 0.000 1.671 59 D HN 0.726 nan 8.370 nan 0.000 0.507 60 R N 2.725 123.142 120.500 -0.139 0.000 2.235 60 R HA 0.067 4.408 4.340 0.001 0.000 0.213 60 R C 0.189 176.402 176.300 -0.145 0.000 1.059 60 R CA 0.212 56.245 56.100 -0.112 0.000 0.997 60 R CB 0.224 30.482 30.300 -0.072 0.000 0.884 60 R HN 0.212 nan 8.270 nan 0.000 0.462 61 R N 1.674 122.033 120.500 -0.235 0.000 2.615 61 R HA 0.149 4.490 4.340 0.001 0.000 0.270 61 R C -1.838 174.260 176.300 -0.338 0.000 1.081 61 R CA -1.711 54.196 56.100 -0.321 0.000 1.154 61 R CB 0.518 30.470 30.300 -0.579 0.000 1.063 61 R HN 0.076 nan 8.270 nan 0.000 0.519 62 P HA 0.042 nan 4.420 nan 0.000 0.255 62 P C -1.303 175.919 177.300 -0.130 0.000 1.427 62 P CA 0.375 63.392 63.100 -0.137 0.000 0.863 62 P CB -0.046 31.629 31.700 -0.041 0.000 1.444 63 H N -1.610 117.309 119.070 -0.252 0.000 3.003 63 H HA 0.529 5.086 4.556 0.001 0.000 0.327 63 H C -0.278 174.862 175.328 -0.315 0.000 1.353 63 H CA -1.301 54.553 56.048 -0.324 0.000 1.142 63 H CB 0.011 29.358 29.762 -0.691 0.000 1.864 63 H HN -0.147 nan 8.280 nan 0.000 0.529 64 I N -1.259 119.259 120.570 -0.087 0.000 2.970 64 I HA 0.723 4.894 4.170 0.001 0.000 0.310 64 I C 1.185 177.153 176.117 -0.248 0.000 1.010 64 I CA -0.194 60.985 61.300 -0.202 0.000 1.228 64 I CB 1.097 39.006 38.000 -0.151 0.000 1.433 64 I HN 1.163 nan 8.210 nan 0.000 0.573 65 G N 1.066 109.411 108.800 -0.758 0.000 2.213 65 G HA2 0.014 3.975 3.960 0.001 0.000 0.236 65 G HA3 0.014 3.975 3.960 0.001 0.000 0.236 65 G C 0.897 175.291 174.900 -0.843 0.000 0.991 65 G CA 0.056 44.251 45.100 -1.509 0.000 0.629 65 G HN 2.120 nan 8.290 nan 0.000 0.517 66 G N 0.797 109.322 108.800 -0.457 0.000 2.581 66 G HA2 -0.304 3.657 3.960 0.001 0.000 0.291 66 G HA3 -0.304 3.657 3.960 0.001 0.000 0.291 66 G C 0.890 175.603 174.900 -0.312 0.000 1.277 66 G CA 0.835 45.729 45.100 -0.343 0.000 0.959 66 G HN 1.180 nan 8.290 nan 0.000 0.554 67 N N 0.349 118.852 118.700 -0.328 0.000 2.133 67 N HA -0.142 4.599 4.740 0.001 0.000 0.193 67 N C 2.265 177.462 175.510 -0.522 0.000 1.012 67 N CA 2.427 55.274 53.050 -0.337 0.000 0.871 67 N CB -0.582 37.904 38.487 -0.000 0.000 1.011 67 N HN 1.154 nan 8.380 nan 0.000 0.435 68 A N -0.705 121.774 122.820 -0.568 0.000 2.251 68 A HA 0.006 4.327 4.320 0.001 0.000 0.209 68 A C 0.350 177.605 177.584 -0.547 0.000 1.187 68 A CA -0.423 51.082 52.037 -0.886 0.000 0.823 68 A CB -0.565 18.156 19.000 -0.465 0.000 0.846 68 A HN 0.349 nan 8.150 nan 0.000 0.486 69 Y N 2.468 122.525 120.300 -0.404 0.000 2.620 69 Y HA 0.320 4.870 4.550 0.001 0.000 0.330 69 Y C -0.115 175.646 175.900 -0.232 0.000 1.186 69 Y CA -0.484 57.457 58.100 -0.265 0.000 1.467 69 Y CB 0.317 38.633 38.460 -0.240 0.000 1.262 69 Y HN 0.504 nan 8.280 nan 0.000 0.550 70 D N 4.583 124.491 120.400 -0.821 0.000 2.493 70 D HA 0.632 5.273 4.640 0.001 0.000 0.239 70 D C -1.030 174.689 176.300 -0.968 0.000 1.049 70 D CA -0.546 53.035 54.000 -0.698 0.000 1.008 70 D CB 1.268 41.949 40.800 -0.199 0.000 1.398 70 D HN 0.765 nan 8.370 nan 0.000 0.513 71 C N -2.558 116.352 119.300 -0.649 0.000 3.275 71 C HA 0.607 5.068 4.460 0.001 0.000 0.340 71 C C -1.393 173.351 174.990 -0.409 0.000 1.366 71 C CA -1.249 57.498 59.018 -0.451 0.000 1.227 71 C CB -0.291 27.254 27.740 -0.325 0.000 1.512 71 C HN 0.624 nan 8.230 nan 0.000 0.461 72 Y N 2.340 122.534 120.300 -0.178 0.000 2.335 72 Y HA 0.443 4.994 4.550 0.001 0.000 0.331 72 Y C 1.102 176.922 175.900 -0.133 0.000 1.094 72 Y CA 0.846 58.865 58.100 -0.135 0.000 1.253 72 Y CB 0.708 39.123 38.460 -0.075 0.000 1.203 72 Y HN 0.864 nan 8.280 nan 0.000 0.508 73 D N -0.020 120.361 120.400 -0.032 0.000 2.511 73 D HA 0.048 4.689 4.640 0.001 0.000 0.276 73 D C 0.351 176.650 176.300 -0.001 0.000 1.220 73 D CA -0.355 53.606 54.000 -0.064 0.000 1.077 73 D CB 0.370 41.087 40.800 -0.139 0.000 1.126 73 D HN 0.396 nan 8.370 nan 0.000 0.583 74 D N -0.951 119.438 120.400 -0.019 0.000 2.190 74 D HA -0.091 4.549 4.640 0.001 0.000 0.200 74 D C 1.674 177.995 176.300 0.035 0.000 0.992 74 D CA 1.988 55.991 54.000 0.006 0.000 0.854 74 D CB -0.409 40.389 40.800 -0.005 0.000 0.936 74 D HN 0.510 nan 8.370 nan 0.000 0.462 75 A N -0.872 121.964 122.820 0.027 0.000 2.178 75 A HA 0.438 4.759 4.320 0.001 0.000 0.211 75 A C 1.738 179.442 177.584 0.201 0.000 1.157 75 A CA 1.064 53.143 52.037 0.071 0.000 0.780 75 A CB 0.031 19.009 19.000 -0.037 0.000 0.828 75 A HN 0.254 nan 8.150 nan 0.000 0.476 76 G N -1.380 107.522 108.800 0.170 0.000 2.130 76 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 76 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 76 G C 0.002 175.137 174.900 0.392 0.000 0.999 76 G CA 0.005 45.276 45.100 0.286 0.000 0.686 76 G HN 0.754 nan 8.290 nan 0.000 0.515 77 V N 1.009 120.990 119.914 0.111 0.000 2.567 77 V HA 0.616 4.737 4.120 0.001 0.000 0.289 77 V C 0.776 176.753 176.094 -0.195 0.000 1.049 77 V CA -0.850 61.420 62.300 -0.049 0.000 0.969 77 V CB 1.713 33.396 31.823 -0.232 0.000 0.995 77 V HN 0.412 nan 8.190 nan 0.000 0.471 78 L N 7.274 128.264 121.223 -0.389 0.000 2.369 78 L HA 0.509 4.850 4.340 0.001 0.000 0.279 78 L C -0.241 176.288 176.870 -0.570 0.000 1.108 78 L CA 0.601 54.997 54.840 -0.741 0.000 0.852 78 L CB -0.088 41.527 42.059 -0.739 0.000 1.169 78 L HN 0.646 nan 8.230 nan 0.000 0.452 79 I N 0.703 120.851 120.570 -0.704 0.000 3.108 79 I HA 0.528 4.699 4.170 0.001 0.000 0.312 79 I C -0.921 174.598 176.117 -0.997 0.000 1.095 79 I CA -0.810 59.747 61.300 -1.238 0.000 1.000 79 I CB 2.025 39.402 38.000 -1.038 0.000 1.229 79 I HN 0.534 nan 8.210 nan 0.000 0.454 80 H N 2.379 120.584 119.070 -1.442 0.000 2.661 80 H HA 0.294 4.851 4.556 0.002 0.000 0.290 80 H C -2.065 173.048 175.328 -0.357 0.000 1.082 80 H CA -1.941 53.782 56.048 -0.542 0.000 1.234 80 H CB 1.016 30.752 29.762 -0.044 0.000 1.387 80 H HN 0.452 nan 8.280 nan 0.000 0.476 81 P HA -0.209 nan 4.420 nan 0.000 0.217 81 P C -0.108 176.870 177.300 -0.537 0.000 1.148 81 P CA 1.420 64.241 63.100 -0.465 0.000 0.828 81 P CB 0.084 31.411 31.700 -0.622 0.000 0.783 82 Y N -0.553 119.544 120.300 -0.338 0.000 2.867 82 Y HA 0.526 5.077 4.550 0.001 0.000 0.351 82 Y C 1.412 176.828 175.900 -0.806 0.000 1.046 82 Y CA -0.219 57.383 58.100 -0.831 0.000 1.520 82 Y CB -0.408 37.873 38.460 -0.298 0.000 1.337 82 Y HN -0.053 nan 8.280 nan 0.000 0.525 83 G N 1.538 110.045 108.800 -0.488 0.000 2.787 83 G HA2 -0.185 3.776 3.960 0.001 0.000 0.685 83 G HA3 -0.185 3.776 3.960 0.001 0.000 0.685 83 G C -3.001 172.194 174.900 0.491 0.000 1.437 83 G CA -1.477 43.696 45.100 0.121 0.000 0.872 83 G HN 0.093 nan 8.290 nan 0.000 0.566 84 P HA 0.218 nan 4.420 nan 0.000 0.270 84 P C -0.587 176.983 177.300 0.450 0.000 1.242 84 P CA 0.414 63.865 63.100 0.586 0.000 0.768 84 P CB 0.247 32.058 31.700 0.185 0.000 0.820 85 H N 3.201 122.618 119.070 0.579 0.000 2.623 85 H HA 0.406 4.963 4.556 0.001 0.000 0.299 85 H C -0.034 175.570 175.328 0.460 0.000 1.052 85 H CA -0.390 55.820 56.048 0.270 0.000 1.231 85 H CB 0.126 29.795 29.762 -0.155 0.000 1.389 85 H HN 0.256 nan 8.280 nan 0.000 0.469 86 I N 3.955 124.781 120.570 0.427 0.000 2.307 86 I HA 0.092 4.263 4.170 0.001 0.000 0.289 86 I C -0.208 176.172 176.117 0.439 0.000 1.021 86 I CA -0.442 61.123 61.300 0.442 0.000 1.224 86 I CB 0.122 38.288 38.000 0.276 0.000 1.376 86 I HN 0.423 nan 8.210 nan 0.000 0.470 87 F N 7.700 127.907 119.950 0.428 0.000 2.443 87 F HA 0.450 4.977 4.527 0.001 0.000 0.353 87 F C 0.192 176.077 175.800 0.142 0.000 1.101 87 F CA 0.237 58.413 58.000 0.293 0.000 1.226 87 F CB 0.178 39.442 39.000 0.440 0.000 1.140 87 F HN 0.678 nan 8.300 nan 0.000 0.557 88 H N 1.361 119.763 119.070 -1.113 0.000 3.123 88 H HA 0.551 5.108 4.556 0.002 0.000 0.346 88 H C -1.385 173.418 175.328 -0.875 0.000 1.138 88 H CA -0.978 54.578 56.048 -0.820 0.000 1.273 88 H CB 1.550 30.796 29.762 -0.860 0.000 1.926 88 H HN 0.611 nan 8.280 nan 0.000 0.524 89 T N 1.341 115.614 114.554 -0.469 0.000 2.889 89 T HA 0.247 4.598 4.350 0.001 0.000 0.315 89 T C -0.335 174.361 174.700 -0.006 0.000 1.291 89 T CA -0.788 61.139 62.100 -0.289 0.000 1.028 89 T CB 1.283 70.025 68.868 -0.210 0.000 1.235 89 T HN 0.745 nan 8.240 nan 0.000 0.491 90 N N 1.234 119.936 118.700 0.004 0.000 2.353 90 N HA 0.086 4.826 4.740 0.001 0.000 0.185 90 N C 0.340 175.941 175.510 0.153 0.000 1.098 90 N CA 0.147 53.236 53.050 0.064 0.000 0.872 90 N CB 0.580 39.072 38.487 0.009 0.000 0.970 90 N HN 0.460 nan 8.380 nan 0.000 0.467 91 S N 1.022 116.787 115.700 0.109 0.000 2.411 91 S HA 0.137 4.608 4.470 0.001 0.000 0.304 91 S C 1.282 175.913 174.600 0.052 0.000 1.098 91 S CA -0.557 57.690 58.200 0.079 0.000 1.068 91 S CB 0.712 63.925 63.200 0.022 0.000 1.032 91 S HN 0.133 nan 8.310 nan 0.000 0.511 92 K N 3.885 124.327 120.400 0.070 0.000 2.074 92 K HA -0.187 4.134 4.320 0.001 0.000 0.209 92 K C 0.898 177.477 176.600 -0.035 0.000 1.048 92 K CA 2.162 58.399 56.287 -0.082 0.000 0.926 92 K CB -0.135 32.408 32.500 0.071 0.000 0.713 92 K HN 0.612 nan 8.250 nan 0.000 0.444 93 D N 0.262 120.675 120.400 0.021 0.000 2.120 93 D HA -0.183 4.458 4.640 0.001 0.000 0.191 93 D C 2.005 178.346 176.300 0.068 0.000 0.994 93 D CA 1.704 55.728 54.000 0.039 0.000 0.838 93 D CB -0.619 40.201 40.800 0.034 0.000 0.976 93 D HN 0.030 nan 8.370 nan 0.000 0.447 94 V N 0.753 120.710 119.914 0.072 0.000 2.278 94 V HA -0.285 3.836 4.120 0.001 0.000 0.251 94 V C 2.266 178.470 176.094 0.183 0.000 1.062 94 V CA 1.826 64.206 62.300 0.132 0.000 1.038 94 V CB -0.666 31.227 31.823 0.116 0.000 0.646 94 V HN 0.162 nan 8.190 nan 0.000 0.447 95 F N 0.642 120.554 119.950 -0.063 0.000 2.216 95 F HA -0.157 4.371 4.527 0.002 0.000 0.300 95 F C 2.400 178.133 175.800 -0.112 0.000 1.085 95 F CA 1.955 59.848 58.000 -0.178 0.000 1.326 95 F CB -0.033 38.606 39.000 -0.602 0.000 1.027 95 F HN 0.205 nan 8.300 nan 0.000 0.497 96 E N -1.163 118.976 120.200 -0.102 0.000 2.158 96 E HA -0.221 4.130 4.350 0.001 0.000 0.191 96 E C 1.845 178.361 176.600 -0.141 0.000 0.982 96 E CA 0.995 57.309 56.400 -0.145 0.000 0.823 96 E CB -0.403 29.271 29.700 -0.044 0.000 0.766 96 E HN 0.621 nan 8.360 nan 0.000 0.468 97 Y N 1.020 121.241 120.300 -0.132 0.000 2.181 97 Y HA -0.231 4.319 4.550 0.001 0.000 0.288 97 Y C 1.881 177.679 175.900 -0.169 0.000 1.146 97 Y CA 1.154 59.184 58.100 -0.116 0.000 1.164 97 Y CB -0.010 38.446 38.460 -0.007 0.000 0.982 97 Y HN -0.009 nan 8.280 nan 0.000 0.515 98 L N -0.352 120.819 121.223 -0.086 0.000 2.240 98 L HA -0.091 4.250 4.340 0.001 0.000 0.211 98 L C 2.430 179.137 176.870 -0.272 0.000 1.106 98 L CA 1.516 56.307 54.840 -0.082 0.000 0.793 98 L CB -1.117 41.018 42.059 0.128 0.000 0.927 98 L HN 0.156 nan 8.230 nan 0.000 0.446 99 S N -0.649 114.881 115.700 -0.283 0.000 2.440 99 S HA -0.175 4.296 4.470 0.001 0.000 0.238 99 S C 1.965 176.287 174.600 -0.464 0.000 1.010 99 S CA 0.814 58.844 58.200 -0.284 0.000 0.972 99 S CB -0.273 62.779 63.200 -0.246 0.000 0.774 99 S HN 0.417 nan 8.310 nan 0.000 0.501 100 R N -0.162 119.899 120.500 -0.731 0.000 2.189 100 R HA 0.003 4.344 4.340 0.001 0.000 0.223 100 R C 0.749 176.417 176.300 -1.053 0.000 1.092 100 R CA 1.127 56.628 56.100 -0.998 0.000 0.989 100 R CB -0.183 29.284 30.300 -1.389 0.000 0.876 100 R HN 0.483 nan 8.270 nan 0.000 0.457 101 F N -1.707 118.019 119.950 -0.374 0.000 2.706 101 F HA 0.269 4.797 4.527 0.001 0.000 0.313 101 F C 0.433 176.006 175.800 -0.377 0.000 1.096 101 F CA -0.430 57.362 58.000 -0.346 0.000 1.219 101 F CB 1.295 40.078 39.000 -0.362 0.000 1.051 101 F HN -0.228 nan 8.300 nan 0.000 0.568 102 T N -0.152 114.174 114.554 -0.381 0.000 2.977 102 T HA 0.248 4.599 4.350 0.001 0.000 0.345 102 T C -1.064 173.203 174.700 -0.722 0.000 1.562 102 T CA -0.578 61.203 62.100 -0.531 0.000 1.090 102 T CB 1.428 69.868 68.868 -0.713 0.000 1.383 102 T HN 0.064 nan 8.240 nan 0.000 0.484 103 E N 1.266 121.137 120.200 -0.548 0.000 2.322 103 E HA 0.506 4.857 4.350 0.001 0.000 0.257 103 E C -0.927 175.265 176.600 -0.680 0.000 1.155 103 E CA -0.553 55.568 56.400 -0.465 0.000 0.936 103 E CB 0.920 30.504 29.700 -0.194 0.000 1.130 103 E HN 0.502 nan 8.360 nan 0.000 0.465 104 W N 0.245 121.510 121.300 -0.059 0.000 2.781 104 W HA 0.400 5.061 4.660 0.001 0.000 0.345 104 W C -0.150 176.373 176.519 0.006 0.000 1.085 104 W CA -0.788 56.556 57.345 -0.002 0.000 1.198 104 W CB 1.148 30.694 29.460 0.143 0.000 1.423 104 W HN 0.124 nan 8.180 nan 0.000 0.532 105 R N 3.005 123.673 120.500 0.280 0.000 2.310 105 R HA 0.427 4.768 4.340 0.001 0.000 0.324 105 R C -2.715 173.758 176.300 0.288 0.000 0.955 105 R CA -1.829 54.389 56.100 0.197 0.000 0.830 105 R CB 1.214 31.567 30.300 0.089 0.000 1.154 105 R HN 0.119 nan 8.270 nan 0.000 0.458 106 P HA 0.058 nan 4.420 nan 0.000 0.271 106 P C -1.636 175.851 177.300 0.312 0.000 1.220 106 P CA 0.183 63.428 63.100 0.243 0.000 0.768 106 P CB 0.209 32.006 31.700 0.163 0.000 0.848 107 Y N 1.698 122.095 120.300 0.162 0.000 2.442 107 Y HA 0.316 4.867 4.550 0.001 0.000 0.330 107 Y C -1.440 174.574 175.900 0.189 0.000 1.100 107 Y CA -0.611 57.594 58.100 0.176 0.000 1.034 107 Y CB 1.814 40.400 38.460 0.210 0.000 1.285 107 Y HN 0.305 nan 8.280 nan 0.000 0.440 108 Q N 4.974 124.545 119.800 -0.381 0.000 2.357 108 Q HA 0.216 4.557 4.340 0.001 0.000 0.266 108 Q C -1.361 174.272 176.000 -0.613 0.000 1.021 108 Q CA -0.975 54.625 55.803 -0.339 0.000 0.784 108 Q CB 1.392 30.055 28.738 -0.124 0.000 1.243 108 Q HN 0.683 nan 8.270 nan 0.000 0.465 109 H N 2.744 121.444 119.070 -0.617 0.000 2.764 109 H HA 0.228 4.785 4.556 0.002 0.000 0.341 109 H C -0.737 174.481 175.328 -0.182 0.000 1.072 109 H CA 0.451 56.242 56.048 -0.428 0.000 1.444 109 H CB 0.524 30.303 29.762 0.028 0.000 1.458 109 H HN 0.411 nan 8.280 nan 0.000 0.572 110 R N 3.808 123.995 120.500 -0.522 0.000 2.513 110 R HA 0.438 4.779 4.340 0.001 0.000 0.301 110 R C -1.342 174.637 176.300 -0.534 0.000 0.968 110 R CA -1.013 54.847 56.100 -0.400 0.000 0.872 110 R CB 2.022 32.194 30.300 -0.214 0.000 1.177 110 R HN 0.299 nan 8.270 nan 0.000 0.444 111 V N 4.044 123.723 119.914 -0.392 0.000 2.581 111 V HA 0.459 4.580 4.120 0.001 0.000 0.303 111 V C -0.636 175.334 176.094 -0.206 0.000 1.041 111 V CA -0.945 61.145 62.300 -0.350 0.000 0.907 111 V CB 1.890 33.488 31.823 -0.376 0.000 0.994 111 V HN 0.444 nan 8.190 nan 0.000 0.442 112 L N 3.324 124.423 121.223 -0.206 0.000 2.341 112 L HA 0.807 5.148 4.340 0.001 0.000 0.278 112 L C 0.247 177.017 176.870 -0.167 0.000 1.005 112 L CA -0.444 54.302 54.840 -0.158 0.000 0.818 112 L CB 1.537 43.503 42.059 -0.156 0.000 1.259 112 L HN 0.814 nan 8.230 nan 0.000 0.418 113 A N 1.981 124.743 122.820 -0.098 0.000 2.301 113 A HA 0.584 4.904 4.320 0.001 0.000 0.312 113 A C 0.043 177.544 177.584 -0.139 0.000 1.182 113 A CA -0.353 51.623 52.037 -0.101 0.000 0.826 113 A CB 0.728 19.765 19.000 0.062 0.000 1.134 113 A HN 0.618 nan 8.150 nan 0.000 0.501 114 S N 2.146 117.701 115.700 -0.241 0.000 2.416 114 S HA 0.466 4.937 4.470 0.001 0.000 0.302 114 S C -0.545 173.981 174.600 -0.123 0.000 1.120 114 S CA -0.296 57.804 58.200 -0.166 0.000 1.067 114 S CB -0.772 62.324 63.200 -0.173 0.000 1.057 114 S HN 0.625 nan 8.310 nan 0.000 0.518 115 V N 4.882 124.707 119.914 -0.148 0.000 2.588 115 V HA 0.379 4.500 4.120 0.001 0.000 0.304 115 V C -0.374 175.638 176.094 -0.137 0.000 1.042 115 V CA -0.894 61.268 62.300 -0.230 0.000 0.877 115 V CB 1.788 33.314 31.823 -0.495 0.000 0.996 115 V HN 0.832 nan 8.190 nan 0.000 0.425 116 D N 3.627 123.958 120.400 -0.115 0.000 2.701 116 D HA -0.185 4.456 4.640 0.001 0.000 0.235 116 D C 1.359 177.637 176.300 -0.037 0.000 1.155 116 D CA 1.812 55.773 54.000 -0.065 0.000 0.649 116 D CB -1.074 39.691 40.800 -0.058 0.000 1.050 116 D HN 1.512 nan 8.370 nan 0.000 0.425 117 G N -0.566 108.220 108.800 -0.024 0.000 2.203 117 G HA2 -0.366 3.595 3.960 0.001 0.000 0.263 117 G HA3 -0.366 3.595 3.960 0.001 0.000 0.263 117 G C 0.240 175.140 174.900 0.000 0.000 1.012 117 G CA 0.995 46.097 45.100 0.004 0.000 0.749 117 G HN 0.549 nan 8.290 nan 0.000 0.512 118 Q N -1.405 118.383 119.800 -0.019 0.000 2.359 118 Q HA 0.737 5.078 4.340 0.001 0.000 0.275 118 Q C -0.000 175.980 176.000 -0.032 0.000 1.082 118 Q CA -0.980 54.811 55.803 -0.020 0.000 0.849 118 Q CB 1.675 30.399 28.738 -0.022 0.000 1.377 118 Q HN 0.244 nan 8.270 nan 0.000 0.452 119 L N 2.639 123.841 121.223 -0.033 0.000 2.321 119 L HA 0.335 4.676 4.340 0.001 0.000 0.272 119 L C -1.227 175.618 176.870 -0.041 0.000 1.050 119 L CA -0.549 54.259 54.840 -0.054 0.000 0.893 119 L CB 0.250 42.271 42.059 -0.063 0.000 1.272 119 L HN 0.235 nan 8.230 nan 0.000 0.435 120 L N 4.163 125.378 121.223 -0.013 0.000 2.344 120 L HA 0.603 4.943 4.340 0.001 0.000 0.272 120 L C -2.142 174.715 176.870 -0.022 0.000 1.035 120 L CA -2.682 52.163 54.840 0.007 0.000 0.807 120 L CB 0.884 42.999 42.059 0.093 0.000 1.237 120 L HN 0.163 nan 8.230 nan 0.000 0.442 121 P HA 0.220 nan 4.420 nan 0.000 0.267 121 P C -0.763 176.448 177.300 -0.148 0.000 1.209 121 P CA 0.141 63.178 63.100 -0.105 0.000 0.763 121 P CB 0.594 32.228 31.700 -0.110 0.000 0.816 122 I N 5.671 126.159 120.570 -0.136 0.000 2.466 122 I HA 0.490 4.661 4.170 0.001 0.000 0.289 122 I C -2.631 173.391 176.117 -0.158 0.000 1.026 122 I CA -3.412 57.781 61.300 -0.179 0.000 1.078 122 I CB 1.974 39.890 38.000 -0.140 0.000 1.249 122 I HN 0.177 nan 8.210 nan 0.000 0.429 123 P HA 0.142 nan 4.420 nan 0.000 0.269 123 P C -0.439 176.710 177.300 -0.253 0.000 1.217 123 P CA 0.067 62.999 63.100 -0.280 0.000 0.783 123 P CB 0.331 31.856 31.700 -0.292 0.000 0.898 124 I N 2.228 122.633 120.570 -0.275 0.000 2.668 124 I HA -0.033 4.138 4.170 0.001 0.000 0.285 124 I C 1.127 177.173 176.117 -0.118 0.000 1.168 124 I CA 0.667 61.792 61.300 -0.293 0.000 1.424 124 I CB -0.291 37.519 38.000 -0.317 0.000 1.377 124 I HN 0.529 nan 8.210 nan 0.000 0.560 125 N N 6.055 124.702 118.700 -0.088 0.000 3.167 125 N HA 0.243 4.984 4.740 0.001 0.000 0.323 125 N C 0.479 175.986 175.510 -0.006 0.000 1.478 125 N CA -0.904 52.136 53.050 -0.018 0.000 0.753 125 N CB 0.462 38.909 38.487 -0.066 0.000 1.721 125 N HN 0.383 nan 8.380 nan 0.000 0.618 126 L N -0.086 121.114 121.223 -0.039 0.000 2.034 126 L HA -0.210 4.131 4.340 0.001 0.000 0.217 126 L C 0.551 177.365 176.870 -0.094 0.000 1.077 126 L CA 2.347 57.133 54.840 -0.092 0.000 0.769 126 L CB -0.635 41.358 42.059 -0.110 0.000 0.890 126 L HN 0.564 nan 8.230 nan 0.000 0.435 127 D N -1.250 119.101 120.400 -0.083 0.000 2.183 127 D HA -0.111 4.530 4.640 0.001 0.000 0.203 127 D C 1.992 178.245 176.300 -0.078 0.000 0.969 127 D CA 1.395 55.348 54.000 -0.078 0.000 0.842 127 D CB 0.094 40.852 40.800 -0.070 0.000 0.957 127 D HN 0.389 nan 8.370 nan 0.000 0.484 128 T N 0.959 115.462 114.554 -0.086 0.000 2.674 128 T HA -0.108 4.243 4.350 0.001 0.000 0.265 128 T C 2.331 176.973 174.700 -0.097 0.000 1.039 128 T CA 0.914 62.956 62.100 -0.097 0.000 1.150 128 T CB -0.357 68.399 68.868 -0.186 0.000 0.864 128 T HN -0.034 nan 8.240 nan 0.000 0.427 129 V N 2.447 122.313 119.914 -0.080 0.000 2.287 129 V HA -0.199 3.922 4.120 0.001 0.000 0.248 129 V C 2.509 178.526 176.094 -0.129 0.000 1.053 129 V CA 1.641 63.884 62.300 -0.096 0.000 1.027 129 V CB -0.699 31.083 31.823 -0.069 0.000 0.646 129 V HN 0.414 nan 8.190 nan 0.000 0.447 130 N N 0.408 119.037 118.700 -0.118 0.000 2.069 130 N HA -0.151 4.589 4.740 0.001 0.000 0.191 130 N C 1.976 177.450 175.510 -0.060 0.000 1.031 130 N CA 1.563 54.558 53.050 -0.092 0.000 0.852 130 N CB -0.363 38.070 38.487 -0.089 0.000 1.018 130 N HN 0.479 nan 8.380 nan 0.000 0.423 131 R N -0.076 120.384 120.500 -0.066 0.000 2.189 131 R HA 0.021 4.362 4.340 0.001 0.000 0.218 131 R C 1.907 178.176 176.300 -0.052 0.000 1.074 131 R CA 0.313 56.384 56.100 -0.047 0.000 0.991 131 R CB -0.191 30.084 30.300 -0.042 0.000 0.883 131 R HN 0.142 nan 8.270 nan 0.000 0.457 132 L N -0.649 120.507 121.223 -0.111 0.000 2.049 132 L HA -0.082 4.259 4.340 0.001 0.000 0.203 132 L C 1.284 178.090 176.870 -0.107 0.000 1.074 132 L CA 1.769 56.503 54.840 -0.176 0.000 0.749 132 L CB -0.178 41.648 42.059 -0.388 0.000 0.907 132 L HN 0.031 nan 8.230 nan 0.000 0.439 133 Y N 0.193 120.498 120.300 0.009 0.000 2.482 133 Y HA 0.426 4.977 4.550 0.001 0.000 0.270 133 Y C 1.775 177.659 175.900 -0.026 0.000 1.152 133 Y CA -0.261 57.837 58.100 -0.004 0.000 1.292 133 Y CB -0.469 37.972 38.460 -0.032 0.000 1.070 133 Y HN 0.280 nan 8.280 nan 0.000 0.528 134 G N 0.773 109.629 108.800 0.094 0.000 2.176 134 G HA2 -0.278 3.683 3.960 0.001 0.000 0.252 134 G HA3 -0.278 3.683 3.960 0.001 0.000 0.252 134 G C 0.075 174.985 174.900 0.015 0.000 1.024 134 G CA 0.310 45.434 45.100 0.040 0.000 0.755 134 G HN 0.282 nan 8.290 nan 0.000 0.507 135 L N -1.025 120.198 121.223 -0.001 0.000 2.567 135 L HA 0.558 4.899 4.340 0.001 0.000 0.238 135 L C 1.192 178.023 176.870 -0.066 0.000 1.168 135 L CA -0.902 53.903 54.840 -0.057 0.000 0.817 135 L CB 0.454 42.430 42.059 -0.138 0.000 1.409 135 L HN 0.063 nan 8.230 nan 0.000 0.502 136 N N 0.359 119.011 118.700 -0.080 0.000 2.545 136 N HA 0.271 5.012 4.740 0.001 0.000 0.283 136 N C -0.882 174.584 175.510 -0.074 0.000 1.596 136 N CA -0.092 52.919 53.050 -0.065 0.000 0.862 136 N CB 0.670 39.133 38.487 -0.041 0.000 1.422 136 N HN 0.365 nan 8.380 nan 0.000 0.489 137 L N 1.282 122.436 121.223 -0.114 0.000 2.483 137 L HA 0.124 4.465 4.340 0.001 0.000 0.275 137 L C 1.446 178.264 176.870 -0.087 0.000 1.220 137 L CA 0.381 55.153 54.840 -0.113 0.000 0.833 137 L CB 0.070 42.014 42.059 -0.193 0.000 1.102 137 L HN 0.135 nan 8.230 nan 0.000 0.490 138 T N -1.961 112.564 114.554 -0.048 0.000 2.927 138 T HA 0.187 4.538 4.350 0.001 0.000 0.281 138 T C 1.120 175.748 174.700 -0.120 0.000 0.998 138 T CA -0.587 61.487 62.100 -0.044 0.000 1.019 138 T CB 1.665 70.579 68.868 0.076 0.000 1.061 138 T HN 0.524 nan 8.240 nan 0.000 0.518 139 S N 0.212 115.763 115.700 -0.249 0.000 2.381 139 S HA -0.124 4.347 4.470 0.001 0.000 0.230 139 S C 1.479 175.889 174.600 -0.317 0.000 1.052 139 S CA 1.704 59.684 58.200 -0.366 0.000 1.068 139 S CB -0.809 62.036 63.200 -0.591 0.000 0.918 139 S HN 0.674 nan 8.310 nan 0.000 0.448 140 F N 1.385 121.315 119.950 -0.033 0.000 2.234 140 F HA -0.059 4.468 4.527 0.001 0.000 0.299 140 F C 2.566 178.351 175.800 -0.025 0.000 1.087 140 F CA 0.798 58.784 58.000 -0.023 0.000 1.340 140 F CB -0.587 38.402 39.000 -0.018 0.000 1.031 140 F HN 0.244 nan 8.300 nan 0.000 0.500 141 Q N -0.579 119.287 119.800 0.110 0.000 2.163 141 Q HA -0.068 4.273 4.340 0.001 0.000 0.198 141 Q C 2.418 178.411 176.000 -0.011 0.000 0.954 141 Q CA 0.923 56.755 55.803 0.049 0.000 0.851 141 Q CB -0.446 28.306 28.738 0.023 0.000 0.928 141 Q HN 0.293 nan 8.270 nan 0.000 0.459 142 V N 1.267 121.115 119.914 -0.110 0.000 2.720 142 V HA -0.253 3.868 4.120 0.001 0.000 0.256 142 V C 2.005 177.917 176.094 -0.303 0.000 1.082 142 V CA 1.800 63.937 62.300 -0.272 0.000 1.101 142 V CB -0.138 31.443 31.823 -0.403 0.000 0.693 142 V HN 0.383 nan 8.190 nan 0.000 0.479 143 E N -0.383 119.771 120.200 -0.077 0.000 2.072 143 E HA -0.229 4.122 4.350 0.001 0.000 0.190 143 E C 2.108 178.763 176.600 0.092 0.000 0.982 143 E CA 1.427 57.869 56.400 0.070 0.000 0.803 143 E CB -0.041 29.711 29.700 0.087 0.000 0.755 143 E HN 0.753 nan 8.360 nan 0.000 0.453 144 E N -0.162 120.079 120.200 0.068 0.000 2.106 144 E HA -0.169 4.182 4.350 0.001 0.000 0.192 144 E C 1.793 178.440 176.600 0.079 0.000 0.984 144 E CA 0.880 57.323 56.400 0.071 0.000 0.806 144 E CB -0.204 29.535 29.700 0.066 0.000 0.750 144 E HN 0.253 nan 8.360 nan 0.000 0.458 145 F N 1.181 121.083 119.950 -0.079 0.000 2.046 145 F HA -0.277 4.251 4.527 0.001 0.000 0.297 145 F C 1.823 177.644 175.800 0.034 0.000 1.123 145 F CA 1.473 59.424 58.000 -0.083 0.000 1.199 145 F CB -0.360 38.520 39.000 -0.200 0.000 0.972 145 F HN -0.083 nan 8.300 nan 0.000 0.474 146 F N 1.069 121.013 119.950 -0.011 0.000 2.065 146 F HA -0.207 4.321 4.527 0.001 0.000 0.298 146 F C 2.752 178.463 175.800 -0.149 0.000 1.112 146 F CA 1.161 59.092 58.000 -0.114 0.000 1.212 146 F CB -1.857 37.160 39.000 0.028 0.000 0.975 146 F HN 0.122 nan 8.300 nan 0.000 0.476 147 A N -0.281 122.618 122.820 0.132 0.000 1.986 147 A HA -0.242 4.079 4.320 0.001 0.000 0.220 147 A C 2.287 179.858 177.584 -0.022 0.000 1.171 147 A CA 2.389 54.454 52.037 0.047 0.000 0.640 147 A CB -1.134 17.895 19.000 0.048 0.000 0.811 147 A HN 0.445 nan 8.150 nan 0.000 0.451 148 S N -0.916 114.739 115.700 -0.075 0.000 2.558 148 S HA 0.111 4.582 4.470 0.001 0.000 0.217 148 S C 1.249 175.750 174.600 -0.165 0.000 0.975 148 S CA 0.799 58.935 58.200 -0.107 0.000 0.912 148 S CB -0.193 62.949 63.200 -0.096 0.000 0.776 148 S HN 0.934 nan 8.310 nan 0.000 0.526 149 V N -2.114 117.670 119.914 -0.218 0.000 3.645 149 V HA 0.622 4.743 4.120 0.001 0.000 0.275 149 V C 1.054 177.092 176.094 -0.093 0.000 1.356 149 V CA -0.289 61.900 62.300 -0.185 0.000 1.051 149 V CB -0.998 30.660 31.823 -0.275 0.000 0.828 149 V HN 0.532 nan 8.190 nan 0.000 0.441 150 A N 1.205 123.981 122.820 -0.073 0.000 2.531 150 A HA 0.309 4.630 4.320 0.001 0.000 0.236 150 A C 0.316 177.863 177.584 -0.062 0.000 1.062 150 A CA 0.131 52.130 52.037 -0.063 0.000 0.760 150 A CB -0.159 18.810 19.000 -0.052 0.000 0.995 150 A HN 0.643 nan 8.150 nan 0.000 0.501 151 E N 1.555 121.712 120.200 -0.071 0.000 2.216 151 E HA 0.193 4.544 4.350 0.001 0.000 0.279 151 E C -0.430 176.129 176.600 -0.068 0.000 0.997 151 E CA -0.831 55.528 56.400 -0.067 0.000 0.817 151 E CB 1.173 30.826 29.700 -0.078 0.000 1.096 151 E HN 0.456 nan 8.360 nan 0.000 0.393 152 K N 1.709 122.076 120.400 -0.054 0.000 2.326 152 K HA 0.225 4.546 4.320 0.001 0.000 0.275 152 K C -0.835 175.731 176.600 -0.057 0.000 1.018 152 K CA -0.065 56.192 56.287 -0.050 0.000 0.962 152 K CB 1.025 33.502 32.500 -0.039 0.000 0.953 152 K HN 0.229 nan 8.250 nan 0.000 0.475 153 V N 4.547 124.426 119.914 -0.058 0.000 2.524 153 V HA 0.029 4.150 4.120 0.001 0.000 0.297 153 V C 0.982 177.046 176.094 -0.049 0.000 1.035 153 V CA -0.599 61.665 62.300 -0.060 0.000 0.867 153 V CB 1.653 33.429 31.823 -0.078 0.000 1.004 153 V HN 0.775 nan 8.190 nan 0.000 0.426 154 E N 2.431 122.606 120.200 -0.042 0.000 2.045 154 E HA -0.221 4.129 4.350 0.001 0.000 0.212 154 E C 0.622 177.201 176.600 -0.036 0.000 1.039 154 E CA 1.623 58.002 56.400 -0.035 0.000 0.860 154 E CB 0.205 29.886 29.700 -0.031 0.000 0.776 154 E HN 0.678 nan 8.360 nan 0.000 0.467 155 Q N -0.037 119.740 119.800 -0.039 0.000 2.323 155 Q HA 0.281 4.621 4.340 0.001 0.000 0.271 155 Q C -1.338 174.632 176.000 -0.051 0.000 1.048 155 Q CA -0.427 55.351 55.803 -0.040 0.000 0.792 155 Q CB 2.649 31.368 28.738 -0.032 0.000 1.280 155 Q HN -0.075 nan 8.270 nan 0.000 0.441 156 V N 4.861 124.741 119.914 -0.056 0.000 2.400 156 V HA 0.022 4.143 4.120 0.001 0.000 0.263 156 V C 0.937 176.995 176.094 -0.059 0.000 1.026 156 V CA 0.882 63.141 62.300 -0.068 0.000 1.077 156 V CB -0.160 31.620 31.823 -0.072 0.000 1.054 156 V HN 0.754 nan 8.190 nan 0.000 0.477 157 R N 1.938 122.402 120.500 -0.061 0.000 2.243 157 R HA 0.134 4.475 4.340 0.001 0.000 0.193 157 R C 1.027 177.293 176.300 -0.055 0.000 0.933 157 R CA 0.634 56.705 56.100 -0.049 0.000 1.105 157 R CB 0.546 30.822 30.300 -0.040 0.000 1.169 157 R HN 0.751 nan 8.270 nan 0.000 0.599 158 T N -2.301 112.212 114.554 -0.068 0.000 2.910 158 T HA 0.253 4.604 4.350 0.001 0.000 0.279 158 T C 1.012 175.659 174.700 -0.088 0.000 0.989 158 T CA -0.651 61.407 62.100 -0.071 0.000 0.968 158 T CB 1.802 70.632 68.868 -0.064 0.000 1.135 158 T HN -0.217 nan 8.240 nan 0.000 0.562 159 S N -0.557 115.097 115.700 -0.077 0.000 2.453 159 S HA -0.040 4.431 4.470 0.001 0.000 0.231 159 S C 1.811 176.358 174.600 -0.088 0.000 1.005 159 S CA 0.778 58.934 58.200 -0.074 0.000 0.949 159 S CB -0.430 62.750 63.200 -0.033 0.000 0.774 159 S HN 0.837 nan 8.310 nan 0.000 0.510 160 E N 1.146 121.285 120.200 -0.101 0.000 2.072 160 E HA -0.167 4.184 4.350 0.001 0.000 0.190 160 E C 1.004 177.398 176.600 -0.343 0.000 0.982 160 E CA 1.233 57.466 56.400 -0.278 0.000 0.803 160 E CB 0.001 29.562 29.700 -0.231 0.000 0.755 160 E HN 0.322 nan 8.360 nan 0.000 0.453 161 D N 0.338 120.608 120.400 -0.216 0.000 2.117 161 D HA -0.142 4.498 4.640 0.001 0.000 0.197 161 D C 2.051 178.233 176.300 -0.197 0.000 0.987 161 D CA 0.771 54.657 54.000 -0.189 0.000 0.829 161 D CB -0.298 40.425 40.800 -0.129 0.000 0.961 161 D HN 0.095 nan 8.370 nan 0.000 0.460 162 V N 0.437 120.235 119.914 -0.192 0.000 2.469 162 V HA -0.189 3.932 4.120 0.001 0.000 0.251 162 V C 2.330 178.265 176.094 -0.264 0.000 1.064 162 V CA 1.093 63.273 62.300 -0.200 0.000 1.066 162 V CB -0.064 31.647 31.823 -0.187 0.000 0.667 162 V HN 0.072 nan 8.190 nan 0.000 0.461 163 V N -1.587 118.131 119.914 -0.327 0.000 2.490 163 V HA -0.043 4.078 4.120 0.001 0.000 0.238 163 V C 2.253 178.184 176.094 -0.271 0.000 1.056 163 V CA 1.131 63.209 62.300 -0.370 0.000 1.075 163 V CB 0.173 31.732 31.823 -0.441 0.000 0.746 163 V HN 0.289 nan 8.190 nan 0.000 0.479 164 V N 1.491 121.207 119.914 -0.330 0.000 2.453 164 V HA -0.248 3.873 4.120 0.001 0.000 0.252 164 V C 2.672 178.658 176.094 -0.180 0.000 1.068 164 V CA 2.534 64.677 62.300 -0.262 0.000 1.070 164 V CB -0.581 31.017 31.823 -0.376 0.000 0.664 164 V HN 0.746 nan 8.190 nan 0.000 0.461 165 S N -1.249 114.340 115.700 -0.185 0.000 2.562 165 S HA -0.023 4.448 4.470 0.001 0.000 0.221 165 S C 1.615 176.136 174.600 -0.131 0.000 0.975 165 S CA 0.733 58.850 58.200 -0.139 0.000 0.918 165 S CB -0.057 63.066 63.200 -0.128 0.000 0.772 165 S HN 0.704 nan 8.310 nan 0.000 0.531 166 K N 0.503 120.801 120.400 -0.170 0.000 2.367 166 K HA 0.246 4.567 4.320 0.001 0.000 0.198 166 K C 1.458 177.905 176.600 -0.256 0.000 1.132 166 K CA 0.924 57.097 56.287 -0.190 0.000 0.941 166 K CB 0.603 32.968 32.500 -0.226 0.000 1.052 166 K HN 0.363 nan 8.250 nan 0.000 0.507 167 V N -2.406 117.343 119.914 -0.274 0.000 3.432 167 V HA 0.462 4.583 4.120 0.001 0.000 0.298 167 V C 0.378 176.450 176.094 -0.037 0.000 1.464 167 V CA 0.123 62.245 62.300 -0.297 0.000 1.046 167 V CB -0.017 31.535 31.823 -0.452 0.000 0.887 167 V HN 0.341 nan 8.190 nan 0.000 0.441 168 G N 1.457 110.232 108.800 -0.042 0.000 2.746 168 G HA2 -0.235 3.726 3.960 0.001 0.000 0.685 168 G HA3 -0.235 3.726 3.960 0.001 0.000 0.685 168 G C 0.130 175.081 174.900 0.085 0.000 1.350 168 G CA 0.330 45.433 45.100 0.004 0.000 0.837 168 G HN 0.694 nan 8.290 nan 0.000 0.564 169 R N 0.049 120.601 120.500 0.087 0.000 2.081 169 R HA -0.040 4.301 4.340 0.001 0.000 0.235 169 R C 2.147 178.615 176.300 0.279 0.000 1.131 169 R CA 2.559 58.761 56.100 0.170 0.000 0.960 169 R CB -0.558 29.810 30.300 0.113 0.000 0.856 169 R HN 0.657 nan 8.270 nan 0.000 0.436 170 D N -0.275 120.264 120.400 0.232 0.000 2.084 170 D HA -0.125 4.516 4.640 0.001 0.000 0.196 170 D C 1.902 178.391 176.300 0.316 0.000 0.985 170 D CA 1.402 55.555 54.000 0.256 0.000 0.826 170 D CB -0.062 40.898 40.800 0.266 0.000 0.978 170 D HN 0.263 nan 8.370 nan 0.000 0.456 171 L N -0.242 121.214 121.223 0.388 0.000 2.081 171 L HA -0.222 4.119 4.340 0.001 0.000 0.212 171 L C 2.383 179.555 176.870 0.504 0.000 1.080 171 L CA 1.480 56.600 54.840 0.466 0.000 0.754 171 L CB -0.713 41.594 42.059 0.413 0.000 0.893 171 L HN 0.276 nan 8.230 nan 0.000 0.433 172 Y N 1.305 121.783 120.300 0.298 0.000 2.145 172 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 172 Y C 2.467 178.539 175.900 0.286 0.000 1.145 172 Y CA 1.754 60.044 58.100 0.316 0.000 1.148 172 Y CB -0.342 38.206 38.460 0.147 0.000 0.981 172 Y HN 0.206 nan 8.280 nan 0.000 0.507 173 N N 0.683 119.407 118.700 0.039 0.000 2.104 173 N HA -0.166 4.575 4.740 0.001 0.000 0.190 173 N C 1.605 177.059 175.510 -0.094 0.000 1.024 173 N CA 1.694 54.678 53.050 -0.110 0.000 0.853 173 N CB -0.273 38.230 38.487 0.027 0.000 1.008 173 N HN 0.438 nan 8.380 nan 0.000 0.424 174 K N -0.260 120.120 120.400 -0.033 0.000 2.103 174 K HA 0.018 4.339 4.320 0.001 0.000 0.204 174 K C 1.503 177.796 176.600 -0.511 0.000 1.052 174 K CA 0.847 56.974 56.287 -0.267 0.000 0.945 174 K CB -0.145 32.157 32.500 -0.330 0.000 0.722 174 K HN 0.254 nan 8.250 nan 0.000 0.443 175 F N -1.581 118.312 119.950 -0.096 0.000 2.602 175 F HA 0.177 4.705 4.527 0.001 0.000 0.284 175 F C 1.706 177.242 175.800 -0.441 0.000 1.111 175 F CA 0.050 57.872 58.000 -0.298 0.000 1.405 175 F CB 0.046 38.789 39.000 -0.428 0.000 1.121 175 F HN -0.168 nan 8.300 nan 0.000 0.603 176 F N -0.548 119.442 119.950 0.067 0.000 2.490 176 F HA 0.240 4.768 4.527 0.001 0.000 0.280 176 F C 2.394 178.134 175.800 -0.100 0.000 1.030 176 F CA 0.203 58.217 58.000 0.024 0.000 1.367 176 F CB -0.525 38.547 39.000 0.120 0.000 1.131 176 F HN -0.358 nan 8.300 nan 0.000 0.632 177 R N 0.802 121.126 120.500 -0.293 0.000 2.082 177 R HA -0.126 4.215 4.340 0.001 0.000 0.234 177 R C 2.418 178.692 176.300 -0.043 0.000 1.136 177 R CA 1.917 57.823 56.100 -0.323 0.000 0.935 177 R CB -1.090 28.890 30.300 -0.534 0.000 0.842 177 R HN 0.375 nan 8.270 nan 0.000 0.430 178 G N -0.517 108.256 108.800 -0.045 0.000 2.446 178 G HA2 -0.340 3.620 3.960 0.001 0.000 0.217 178 G HA3 -0.340 3.620 3.960 0.001 0.000 0.217 178 G C 1.332 176.265 174.900 0.055 0.000 1.168 178 G CA 0.949 46.046 45.100 -0.004 0.000 0.771 178 G HN 0.482 nan 8.290 nan 0.000 0.551 179 Y N 1.787 122.080 120.300 -0.012 0.000 2.097 179 Y HA -0.203 4.348 4.550 0.001 0.000 0.282 179 Y C 3.280 179.240 175.900 0.100 0.000 1.152 179 Y CA 2.495 60.611 58.100 0.026 0.000 1.136 179 Y CB -0.387 38.078 38.460 0.008 0.000 0.975 179 Y HN 0.225 nan 8.280 nan 0.000 0.498 180 T N 0.303 115.113 114.554 0.426 0.000 2.720 180 T HA -0.205 4.146 4.350 0.001 0.000 0.268 180 T C 1.888 176.801 174.700 0.355 0.000 1.037 180 T CA 1.730 64.125 62.100 0.492 0.000 1.144 180 T CB -0.295 68.838 68.868 0.441 0.000 0.864 180 T HN 0.304 nan 8.240 nan 0.000 0.444 181 R N 0.623 121.240 120.500 0.195 0.000 2.096 181 R HA -0.029 4.312 4.340 0.001 0.000 0.235 181 R C 2.560 178.902 176.300 0.070 0.000 1.127 181 R CA 1.317 57.495 56.100 0.130 0.000 0.968 181 R CB -0.116 30.228 30.300 0.074 0.000 0.861 181 R HN 0.337 nan 8.270 nan 0.000 0.440 182 K N 0.373 120.767 120.400 -0.010 0.000 2.031 182 K HA -0.202 4.119 4.320 0.001 0.000 0.205 182 K C 2.177 178.686 176.600 -0.151 0.000 1.049 182 K CA 1.430 57.658 56.287 -0.098 0.000 0.939 182 K CB 0.092 32.483 32.500 -0.182 0.000 0.717 182 K HN -0.078 nan 8.250 nan 0.000 0.438 183 Q N -0.396 119.269 119.800 -0.225 0.000 2.079 183 Q HA -0.142 4.199 4.340 0.001 0.000 0.200 183 Q C 0.972 176.681 176.000 -0.484 0.000 0.974 183 Q CA 2.038 57.583 55.803 -0.429 0.000 0.840 183 Q CB -0.173 28.269 28.738 -0.494 0.000 0.898 183 Q HN 0.475 nan 8.270 nan 0.000 0.430 184 W N -1.360 119.904 121.300 -0.060 0.000 3.058 184 W HA 0.462 5.123 4.660 0.001 0.000 0.306 184 W C 1.196 177.711 176.519 -0.006 0.000 1.188 184 W CA 0.139 57.461 57.345 -0.038 0.000 1.651 184 W CB 0.271 29.726 29.460 -0.008 0.000 1.051 184 W HN 0.279 nan 8.180 nan 0.000 0.592 185 G N 0.846 109.749 108.800 0.173 0.000 2.166 185 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 185 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 185 G C -0.520 174.463 174.900 0.138 0.000 0.986 185 G CA 0.353 45.526 45.100 0.122 0.000 0.683 185 G HN 0.084 nan 8.290 nan 0.000 0.527 186 L N -0.276 121.058 121.223 0.185 0.000 2.388 186 L HA 0.618 4.959 4.340 0.001 0.000 0.264 186 L C 0.099 177.046 176.870 0.129 0.000 0.998 186 L CA -1.242 53.676 54.840 0.131 0.000 0.817 186 L CB 1.742 43.864 42.059 0.105 0.000 1.338 186 L HN 0.229 nan 8.230 nan 0.000 0.414 187 D N 2.321 122.780 120.400 0.098 0.000 2.382 187 D HA 0.167 4.808 4.640 0.001 0.000 0.240 187 D C -1.737 174.629 176.300 0.111 0.000 1.146 187 D CA -0.916 53.151 54.000 0.113 0.000 0.897 187 D CB 1.225 42.084 40.800 0.099 0.000 1.197 187 D HN 0.325 nan 8.370 nan 0.000 0.432 188 P HA -0.064 nan 4.420 nan 0.000 0.236 188 P C 0.313 177.657 177.300 0.073 0.000 1.172 188 P CA 0.830 64.027 63.100 0.161 0.000 0.759 188 P CB 0.051 31.969 31.700 0.363 0.000 0.843 189 S N -2.285 113.452 115.700 0.061 0.000 2.511 189 S HA 0.131 4.602 4.470 0.001 0.000 0.214 189 S C 1.368 175.966 174.600 -0.003 0.000 0.997 189 S CA -0.099 58.108 58.200 0.011 0.000 0.908 189 S CB -0.430 62.779 63.200 0.015 0.000 0.803 189 S HN 0.111 nan 8.310 nan 0.000 0.504 190 E N 0.697 120.899 120.200 0.004 0.000 2.465 190 E HA 0.355 4.706 4.350 0.001 0.000 0.191 190 E C -0.366 176.206 176.600 -0.046 0.000 1.053 190 E CA -0.052 56.344 56.400 -0.007 0.000 0.869 190 E CB 0.207 29.917 29.700 0.016 0.000 0.977 190 E HN 0.512 nan 8.360 nan 0.000 0.483 191 L N -0.060 121.115 121.223 -0.080 0.000 2.303 191 L HA 0.349 4.690 4.340 0.001 0.000 0.266 191 L C -0.065 176.738 176.870 -0.112 0.000 1.011 191 L CA -1.071 53.679 54.840 -0.151 0.000 0.818 191 L CB 1.640 43.525 42.059 -0.290 0.000 1.326 191 L HN -0.143 nan 8.230 nan 0.000 0.435 192 D N -0.162 120.167 120.400 -0.118 0.000 2.360 192 D HA 0.259 4.899 4.640 0.001 0.000 0.242 192 D C 0.795 177.050 176.300 -0.075 0.000 1.184 192 D CA 0.469 54.425 54.000 -0.074 0.000 0.930 192 D CB 1.576 42.347 40.800 -0.049 0.000 1.161 192 D HN 0.584 nan 8.370 nan 0.000 0.447 193 A N 1.129 123.914 122.820 -0.059 0.000 2.019 193 A HA -0.138 4.183 4.320 0.001 0.000 0.219 193 A C 2.012 179.563 177.584 -0.055 0.000 1.164 193 A CA 1.828 53.825 52.037 -0.066 0.000 0.644 193 A CB -0.778 18.183 19.000 -0.064 0.000 0.805 193 A HN 0.561 nan 8.150 nan 0.000 0.449 194 S N -0.610 115.070 115.700 -0.033 0.000 2.453 194 S HA -0.048 4.423 4.470 0.001 0.000 0.231 194 S C 1.648 176.251 174.600 0.004 0.000 1.005 194 S CA 1.012 59.204 58.200 -0.013 0.000 0.949 194 S CB -0.645 62.562 63.200 0.011 0.000 0.774 194 S HN 0.225 nan 8.310 nan 0.000 0.510 195 V N 3.267 123.190 119.914 0.014 0.000 2.223 195 V HA -0.172 3.949 4.120 0.001 0.000 0.244 195 V C 3.154 179.320 176.094 0.120 0.000 1.045 195 V CA 2.296 64.656 62.300 0.100 0.000 1.000 195 V CB -1.618 30.187 31.823 -0.030 0.000 0.635 195 V HN 0.819 nan 8.190 nan 0.000 0.445 196 T N -1.196 113.400 114.554 0.069 0.000 3.072 196 T HA 0.041 4.392 4.350 0.001 0.000 0.266 196 T C 1.692 176.363 174.700 -0.047 0.000 1.127 196 T CA 1.036 63.172 62.100 0.061 0.000 1.107 196 T CB -0.282 68.541 68.868 -0.075 0.000 0.910 196 T HN 0.446 nan 8.240 nan 0.000 0.513 197 A N 1.875 124.659 122.820 -0.060 0.000 2.119 197 A HA 0.079 4.400 4.320 0.001 0.000 0.217 197 A C 2.469 180.019 177.584 -0.057 0.000 1.153 197 A CA 0.596 52.585 52.037 -0.080 0.000 0.692 197 A CB -0.553 18.405 19.000 -0.069 0.000 0.799 197 A HN 0.539 nan 8.150 nan 0.000 0.458 198 R N -0.793 119.688 120.500 -0.031 0.000 2.152 198 R HA -0.024 4.317 4.340 0.001 0.000 0.232 198 R C -0.129 176.127 176.300 -0.073 0.000 1.117 198 R CA 1.083 57.158 56.100 -0.042 0.000 0.981 198 R CB -0.165 30.108 30.300 -0.046 0.000 0.870 198 R HN 0.292 nan 8.270 nan 0.000 0.451 199 V N 3.848 123.734 119.914 -0.046 0.000 2.204 199 V HA 0.188 4.309 4.120 0.001 0.000 0.264 199 V C -2.026 174.027 176.094 -0.068 0.000 1.106 199 V CA -1.734 60.501 62.300 -0.108 0.000 0.947 199 V CB 0.478 32.301 31.823 -0.000 0.000 1.164 199 V HN 0.076 nan 8.190 nan 0.000 0.461 200 P HA 0.149 nan 4.420 nan 0.000 0.272 200 P C 0.075 177.304 177.300 -0.119 0.000 1.223 200 P CA 0.129 63.158 63.100 -0.118 0.000 0.784 200 P CB 0.863 32.496 31.700 -0.112 0.000 0.923 201 T N 2.947 117.418 114.554 -0.138 0.000 2.869 201 T HA 0.285 4.636 4.350 0.001 0.000 0.295 201 T C 0.572 175.217 174.700 -0.092 0.000 0.987 201 T CA -0.350 61.660 62.100 -0.151 0.000 1.109 201 T CB 0.334 69.023 68.868 -0.298 0.000 0.932 201 T HN 0.309 nan 8.240 nan 0.000 0.518 202 R N 1.000 121.478 120.500 -0.036 0.000 2.758 202 R HA 0.523 4.864 4.340 0.001 0.000 0.265 202 R C 0.938 177.314 176.300 0.128 0.000 1.016 202 R CA -0.728 55.376 56.100 0.007 0.000 1.040 202 R CB 0.864 31.136 30.300 -0.045 0.000 1.152 202 R HN 0.720 nan 8.270 nan 0.000 0.503 203 T N -3.329 111.273 114.554 0.080 0.000 3.010 203 T HA 0.016 4.367 4.350 0.001 0.000 0.257 203 T C 0.612 175.276 174.700 -0.061 0.000 1.020 203 T CA -0.387 61.747 62.100 0.057 0.000 0.938 203 T CB -0.225 68.663 68.868 0.035 0.000 1.049 203 T HN 0.588 nan 8.240 nan 0.000 0.522 204 N N 2.213 120.872 118.700 -0.068 0.000 2.452 204 N HA 0.261 5.002 4.740 0.001 0.000 0.296 204 N C 0.454 175.909 175.510 -0.090 0.000 1.304 204 N CA -0.914 52.075 53.050 -0.103 0.000 0.956 204 N CB 0.345 38.774 38.487 -0.097 0.000 1.106 204 N HN 0.126 nan 8.380 nan 0.000 0.555 205 R N -1.851 118.594 120.500 -0.091 0.000 2.577 205 R HA 0.214 4.555 4.340 0.001 0.000 0.344 205 R C -0.727 175.525 176.300 -0.080 0.000 1.037 205 R CA -0.495 55.555 56.100 -0.083 0.000 1.102 205 R CB -0.105 30.148 30.300 -0.079 0.000 1.313 205 R HN 0.534 nan 8.270 nan 0.000 0.561 206 D N 2.484 122.834 120.400 -0.083 0.000 2.401 206 D HA -0.047 4.594 4.640 0.001 0.000 0.254 206 D C 0.414 176.654 176.300 -0.100 0.000 1.192 206 D CA 0.293 54.241 54.000 -0.086 0.000 0.885 206 D CB 0.716 41.463 40.800 -0.087 0.000 1.147 206 D HN 0.227 nan 8.370 nan 0.000 0.478 207 N N 2.945 121.586 118.700 -0.097 0.000 2.187 207 N HA 0.011 4.751 4.740 0.001 0.000 0.212 207 N C -0.034 175.402 175.510 -0.123 0.000 1.152 207 N CA -0.369 52.615 53.050 -0.110 0.000 0.872 207 N CB 0.118 38.547 38.487 -0.097 0.000 1.025 207 N HN 0.143 nan 8.380 nan 0.000 0.514 208 R N -0.021 120.408 120.500 -0.119 0.000 2.590 208 R HA 0.073 4.414 4.340 0.001 0.000 0.274 208 R C 0.531 176.727 176.300 -0.173 0.000 1.061 208 R CA -0.368 55.660 56.100 -0.121 0.000 1.081 208 R CB 0.422 30.672 30.300 -0.084 0.000 0.984 208 R HN 0.053 nan 8.270 nan 0.000 0.448 209 Y N 1.674 121.741 120.300 -0.388 0.000 2.242 209 Y HA -0.032 4.519 4.550 0.001 0.000 0.291 209 Y C -0.082 175.338 175.900 -0.801 0.000 1.137 209 Y CA 1.402 59.112 58.100 -0.650 0.000 1.181 209 Y CB 0.326 38.260 38.460 -0.877 0.000 0.989 209 Y HN 0.381 nan 8.280 nan 0.000 0.527 210 F N -1.980 117.914 119.950 -0.094 0.000 2.538 210 F HA 0.566 5.094 4.527 0.002 0.000 0.325 210 F C 0.673 176.389 175.800 -0.140 0.000 1.066 210 F CA -0.619 57.268 58.000 -0.188 0.000 0.946 210 F CB 1.457 40.280 39.000 -0.296 0.000 1.199 210 F HN -0.224 nan 8.300 nan 0.000 0.473 211 A N 0.282 123.133 122.820 0.052 0.000 2.465 211 A HA 0.267 4.588 4.320 0.001 0.000 0.255 211 A C -0.353 177.222 177.584 -0.016 0.000 1.274 211 A CA -0.368 51.663 52.037 -0.010 0.000 0.920 211 A CB -0.777 18.195 19.000 -0.045 0.000 1.033 211 A HN 0.697 nan 8.150 nan 0.000 0.516 212 D N 0.398 120.816 120.400 0.030 0.000 2.472 212 D HA 0.156 4.797 4.640 0.001 0.000 0.237 212 D C 1.359 177.580 176.300 -0.131 0.000 1.141 212 D CA 0.726 54.715 54.000 -0.020 0.000 0.875 212 D CB 0.688 41.508 40.800 0.033 0.000 1.192 212 D HN 0.146 nan 8.370 nan 0.000 0.450 213 T N 1.085 115.500 114.554 -0.231 0.000 2.607 213 T HA -0.203 4.147 4.350 0.001 0.000 0.267 213 T C 0.440 174.720 174.700 -0.700 0.000 1.049 213 T CA 1.382 63.173 62.100 -0.514 0.000 1.162 213 T CB -0.373 68.040 68.868 -0.759 0.000 0.863 213 T HN 0.380 nan 8.240 nan 0.000 0.424 214 Y N 1.833 121.951 120.300 -0.303 0.000 2.434 214 Y HA 0.498 5.049 4.550 0.002 0.000 0.341 214 Y C 0.293 176.014 175.900 -0.299 0.000 0.965 214 Y CA -0.877 56.923 58.100 -0.500 0.000 1.205 214 Y CB 0.369 38.243 38.460 -0.975 0.000 1.121 214 Y HN 0.105 nan 8.280 nan 0.000 0.507 215 Q N 2.962 122.705 119.800 -0.096 0.000 2.327 215 Q HA 0.852 5.193 4.340 0.001 0.000 0.270 215 Q C -1.106 174.970 176.000 0.127 0.000 1.022 215 Q CA -0.904 54.922 55.803 0.039 0.000 0.773 215 Q CB 2.236 30.996 28.738 0.037 0.000 1.251 215 Q HN 0.796 nan 8.270 nan 0.000 0.457 216 A N 2.864 125.854 122.820 0.284 0.000 2.594 216 A HA 0.634 4.955 4.320 0.001 0.000 0.296 216 A C -1.449 176.513 177.584 0.630 0.000 1.056 216 A CA -0.773 51.504 52.037 0.400 0.000 0.693 216 A CB 1.377 20.551 19.000 0.289 0.000 1.278 216 A HN 0.526 nan 8.150 nan 0.000 0.408 217 M N 1.423 121.371 119.600 0.579 0.000 2.367 217 M HA 0.402 4.883 4.480 0.001 0.000 0.339 217 M C -2.524 173.948 176.300 0.287 0.000 1.177 217 M CA -2.539 53.020 55.300 0.432 0.000 1.068 217 M CB 0.588 33.328 32.600 0.233 0.000 1.602 217 M HN 0.289 nan 8.290 nan 0.000 0.457 218 P HA -0.031 nan 4.420 nan 0.000 0.263 218 P C 0.877 177.941 177.300 -0.393 0.000 1.195 218 P CA -0.069 62.687 63.100 -0.574 0.000 0.762 218 P CB 0.248 31.519 31.700 -0.714 0.000 0.799 219 L N 4.738 125.695 121.223 -0.443 0.000 2.043 219 L HA -0.181 4.159 4.340 0.001 0.000 0.212 219 L C 1.173 177.705 176.870 -0.562 0.000 1.075 219 L CA 2.132 56.695 54.840 -0.461 0.000 0.752 219 L CB -0.884 40.833 42.059 -0.570 0.000 0.891 219 L HN 0.471 nan 8.230 nan 0.000 0.432 220 H N -0.588 118.381 119.070 -0.167 0.000 2.475 220 H HA 0.540 5.097 4.556 0.001 0.000 0.276 220 H C 0.778 176.024 175.328 -0.136 0.000 1.126 220 H CA 0.337 56.320 56.048 -0.108 0.000 1.023 220 H CB -0.350 29.364 29.762 -0.080 0.000 1.669 220 H HN 0.345 nan 8.280 nan 0.000 0.573 221 G N 0.050 108.760 108.800 -0.150 0.000 2.699 221 G HA2 -0.273 3.688 3.960 0.001 0.000 0.686 221 G HA3 -0.273 3.688 3.960 0.001 0.000 0.686 221 G C 0.116 174.873 174.900 -0.239 0.000 1.301 221 G CA -0.545 44.438 45.100 -0.194 0.000 0.816 221 G HN 0.286 nan 8.290 nan 0.000 0.595 222 Y N 0.323 120.577 120.300 -0.078 0.000 2.274 222 Y HA -0.071 4.480 4.550 0.001 0.000 0.290 222 Y C 3.312 179.264 175.900 0.086 0.000 1.145 222 Y CA 2.263 60.356 58.100 -0.011 0.000 1.203 222 Y CB -0.163 38.330 38.460 0.055 0.000 0.984 222 Y HN 0.615 nan 8.280 nan 0.000 0.533 223 T N -0.327 114.298 114.554 0.118 0.000 2.857 223 T HA -0.089 4.262 4.350 0.001 0.000 0.266 223 T C 1.976 176.725 174.700 0.081 0.000 1.048 223 T CA 0.745 62.907 62.100 0.104 0.000 1.139 223 T CB -0.038 68.769 68.868 -0.102 0.000 0.874 223 T HN 0.212 nan 8.240 nan 0.000 0.455 224 R N 0.938 121.445 120.500 0.010 0.000 2.081 224 R HA 0.024 4.365 4.340 0.001 0.000 0.235 224 R C 2.426 178.698 176.300 -0.047 0.000 1.131 224 R CA 1.043 57.134 56.100 -0.015 0.000 0.960 224 R CB -0.748 29.542 30.300 -0.016 0.000 0.856 224 R HN 0.435 nan 8.270 nan 0.000 0.436 225 M N -0.182 119.360 119.600 -0.096 0.000 2.086 225 M HA -0.171 4.310 4.480 0.001 0.000 0.261 225 M C 1.806 177.968 176.300 -0.230 0.000 1.067 225 M CA 1.842 57.024 55.300 -0.198 0.000 1.116 225 M CB -0.184 32.223 32.600 -0.322 0.000 1.348 225 M HN -0.016 nan 8.290 nan 0.000 0.407 226 F N 0.565 120.415 119.950 -0.166 0.000 2.171 226 F HA -0.232 4.296 4.527 0.001 0.000 0.300 226 F C 2.585 178.268 175.800 -0.195 0.000 1.090 226 F CA 1.655 59.526 58.000 -0.214 0.000 1.293 226 F CB -0.434 38.454 39.000 -0.188 0.000 1.013 226 F HN 0.270 nan 8.300 nan 0.000 0.486 227 Q N -0.008 119.823 119.800 0.052 0.000 2.124 227 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 227 Q C 1.929 177.890 176.000 -0.065 0.000 0.977 227 Q CA 1.429 57.229 55.803 -0.005 0.000 0.850 227 Q CB -0.137 28.604 28.738 0.005 0.000 0.901 227 Q HN 0.334 nan 8.270 nan 0.000 0.429 228 N N -0.062 118.580 118.700 -0.096 0.000 2.188 228 N HA -0.112 4.629 4.740 0.001 0.000 0.184 228 N C 1.521 176.879 175.510 -0.252 0.000 1.018 228 N CA 1.028 54.020 53.050 -0.096 0.000 0.858 228 N CB -0.137 38.345 38.487 -0.009 0.000 0.989 228 N HN 0.258 nan 8.380 nan 0.000 0.426 229 M N 0.129 119.411 119.600 -0.530 0.000 2.213 229 M HA -0.028 4.453 4.480 0.001 0.000 0.263 229 M C 1.038 177.091 176.300 -0.411 0.000 1.062 229 M CA 1.165 55.928 55.300 -0.896 0.000 1.105 229 M CB 0.131 32.222 32.600 -0.848 0.000 1.385 229 M HN 0.047 nan 8.290 nan 0.000 0.417 230 L N -1.049 120.043 121.223 -0.219 0.000 2.667 230 L HA 0.092 4.433 4.340 0.001 0.000 0.232 230 L C 1.894 178.715 176.870 -0.082 0.000 1.138 230 L CA -0.025 54.741 54.840 -0.124 0.000 0.921 230 L CB -0.178 41.836 42.059 -0.076 0.000 1.180 230 L HN 0.280 nan 8.230 nan 0.000 0.487 231 S N -1.661 113.991 115.700 -0.081 0.000 2.607 231 S HA -0.026 4.445 4.470 0.001 0.000 0.224 231 S C 1.047 175.635 174.600 -0.021 0.000 0.969 231 S CA -0.130 58.045 58.200 -0.041 0.000 0.927 231 S CB -0.248 62.932 63.200 -0.034 0.000 0.772 231 S HN 0.364 nan 8.310 nan 0.000 0.533 232 S N 2.162 117.849 115.700 -0.021 0.000 2.585 232 S HA 0.310 4.781 4.470 0.001 0.000 0.273 232 S C -1.772 172.836 174.600 0.013 0.000 1.339 232 S CA -1.040 57.160 58.200 0.000 0.000 1.028 232 S CB 0.772 63.974 63.200 0.003 0.000 0.906 232 S HN 0.095 nan 8.310 nan 0.000 0.528 233 P HA 0.063 nan 4.420 nan 0.000 0.226 233 P C 0.540 177.871 177.300 0.052 0.000 1.153 233 P CA 0.605 63.724 63.100 0.033 0.000 0.777 233 P CB -0.001 31.717 31.700 0.030 0.000 0.794 234 N N -0.526 118.207 118.700 0.056 0.000 2.461 234 N HA 0.051 4.792 4.740 0.001 0.000 0.188 234 N C 0.348 175.918 175.510 0.100 0.000 1.134 234 N CA 0.432 53.533 53.050 0.086 0.000 0.878 234 N CB -0.078 38.460 38.487 0.084 0.000 0.972 234 N HN 0.261 nan 8.380 nan 0.000 0.456 235 I N 1.573 122.178 120.570 0.058 0.000 2.330 235 I HA 0.159 4.330 4.170 0.001 0.000 0.289 235 I C -0.168 175.968 176.117 0.033 0.000 1.001 235 I CA -0.752 60.568 61.300 0.032 0.000 1.193 235 I CB 0.991 38.980 38.000 -0.017 0.000 1.345 235 I HN -0.388 nan 8.210 nan 0.000 0.461 236 K N 6.325 126.744 120.400 0.033 0.000 2.211 236 K HA 0.501 4.822 4.320 0.001 0.000 0.275 236 K C -0.659 175.899 176.600 -0.071 0.000 1.024 236 K CA -0.663 55.632 56.287 0.014 0.000 0.887 236 K CB 2.252 34.804 32.500 0.087 0.000 1.084 236 K HN 0.266 nan 8.250 nan 0.000 0.463 237 V N 4.351 124.232 119.914 -0.054 0.000 2.370 237 V HA 0.405 4.526 4.120 0.001 0.000 0.283 237 V C 0.007 176.054 176.094 -0.079 0.000 1.023 237 V CA -0.690 61.562 62.300 -0.081 0.000 0.857 237 V CB 1.312 33.096 31.823 -0.066 0.000 0.985 237 V HN 0.715 nan 8.190 nan 0.000 0.443 238 M N 6.253 125.789 119.600 -0.107 0.000 2.253 238 M HA 0.653 5.134 4.480 0.001 0.000 0.314 238 M C -1.687 174.550 176.300 -0.105 0.000 1.019 238 M CA -0.401 54.845 55.300 -0.091 0.000 0.932 238 M CB 1.545 34.086 32.600 -0.098 0.000 1.606 238 M HN 0.532 nan 8.290 nan 0.000 0.430 239 L N 3.223 124.392 121.223 -0.089 0.000 2.309 239 L HA 0.518 4.858 4.340 0.001 0.000 0.261 239 L C 0.397 177.212 176.870 -0.091 0.000 1.021 239 L CA -0.883 53.890 54.840 -0.111 0.000 0.823 239 L CB 1.735 43.728 42.059 -0.110 0.000 1.366 239 L HN 0.944 nan 8.230 nan 0.000 0.423 240 N N 0.269 118.904 118.700 -0.109 0.000 2.754 240 N HA -0.161 4.580 4.740 0.001 0.000 0.248 240 N C -1.057 174.413 175.510 -0.067 0.000 1.093 240 N CA 0.990 53.991 53.050 -0.082 0.000 0.699 240 N CB -0.672 37.782 38.487 -0.056 0.000 1.016 240 N HN 0.771 nan 8.380 nan 0.000 0.552 241 T N 0.548 115.056 114.554 -0.078 0.000 3.031 241 T HA 0.128 4.479 4.350 0.001 0.000 0.305 241 T C -1.038 173.622 174.700 -0.067 0.000 0.985 241 T CA -0.739 61.322 62.100 -0.067 0.000 1.008 241 T CB 1.532 70.361 68.868 -0.065 0.000 1.005 241 T HN 0.146 nan 8.240 nan 0.000 0.444 242 D N 1.819 122.173 120.400 -0.076 0.000 2.424 242 D HA 0.016 4.657 4.640 0.001 0.000 0.244 242 D C 1.166 177.388 176.300 -0.131 0.000 1.134 242 D CA -0.073 53.869 54.000 -0.097 0.000 0.881 242 D CB 0.795 41.498 40.800 -0.162 0.000 1.191 242 D HN 0.717 nan 8.370 nan 0.000 0.445 243 Y N 3.271 123.512 120.300 -0.099 0.000 2.256 243 Y HA -0.120 4.431 4.550 0.001 0.000 0.288 243 Y C 1.856 177.673 175.900 -0.139 0.000 1.155 243 Y CA 0.861 58.877 58.100 -0.139 0.000 1.203 243 Y CB -0.329 38.053 38.460 -0.131 0.000 0.980 243 Y HN 0.280 nan 8.280 nan 0.000 0.530 244 R N 1.016 120.968 120.500 -0.914 0.000 2.357 244 R HA -0.055 4.286 4.340 0.001 0.000 0.202 244 R C 1.105 177.225 176.300 -0.300 0.000 1.047 244 R CA 1.062 56.791 56.100 -0.618 0.000 1.034 244 R CB -0.268 29.625 30.300 -0.678 0.000 0.875 244 R HN 0.633 nan 8.270 nan 0.000 0.473 245 E N 0.317 120.377 120.200 -0.235 0.000 2.472 245 E HA 0.029 4.380 4.350 0.001 0.000 0.196 245 E C 1.349 177.851 176.600 -0.163 0.000 1.033 245 E CA 0.465 56.793 56.400 -0.121 0.000 0.886 245 E CB 0.509 30.166 29.700 -0.072 0.000 0.944 245 E HN 0.451 nan 8.360 nan 0.000 0.492 246 I N -5.483 114.887 120.570 -0.334 0.000 4.765 246 I HA 0.394 4.565 4.170 0.001 0.000 0.349 246 I C 1.604 177.322 176.117 -0.666 0.000 1.278 246 I CA -0.135 60.743 61.300 -0.703 0.000 1.331 246 I CB 0.650 38.427 38.000 -0.371 0.000 1.570 246 I HN -0.146 nan 8.210 nan 0.000 0.538 247 A N 0.805 123.447 122.820 -0.298 0.000 2.123 247 A HA 0.028 4.349 4.320 0.001 0.000 0.214 247 A C 1.543 179.136 177.584 0.015 0.000 1.152 247 A CA 1.162 53.200 52.037 0.000 0.000 0.728 247 A CB -0.428 18.674 19.000 0.171 0.000 0.814 247 A HN 0.362 nan 8.150 nan 0.000 0.464 248 D N -0.896 119.419 120.400 -0.142 0.000 2.371 248 D HA 0.005 4.646 4.640 0.001 0.000 0.221 248 D C 0.555 176.919 176.300 0.108 0.000 0.986 248 D CA 1.019 55.020 54.000 0.002 0.000 0.899 248 D CB -0.050 40.799 40.800 0.082 0.000 0.902 248 D HN 0.716 nan 8.370 nan 0.000 0.530 249 F N -2.193 117.817 119.950 0.099 0.000 2.988 249 F HA 0.391 4.918 4.527 0.001 0.000 0.333 249 F C -0.374 175.500 175.800 0.123 0.000 1.243 249 F CA -0.694 57.357 58.000 0.084 0.000 1.041 249 F CB -0.270 38.763 39.000 0.055 0.000 1.354 249 F HN -0.322 nan 8.300 nan 0.000 0.505 250 I N 3.329 123.944 120.570 0.074 0.000 2.382 250 I HA 0.415 4.585 4.170 0.001 0.000 0.286 250 I C -2.449 173.874 176.117 0.343 0.000 1.002 250 I CA -2.225 59.214 61.300 0.232 0.000 1.135 250 I CB 1.755 39.863 38.000 0.179 0.000 1.288 250 I HN -0.196 nan 8.210 nan 0.000 0.448 251 P HA 0.049 nan 4.420 nan 0.000 0.262 251 P C -1.117 176.403 177.300 0.367 0.000 1.199 251 P CA 0.443 63.655 63.100 0.188 0.000 0.763 251 P CB -0.098 31.665 31.700 0.105 0.000 0.790 252 F N 0.485 120.497 119.950 0.103 0.000 2.591 252 F HA 0.464 4.992 4.527 0.001 0.000 0.309 252 F C 0.837 176.658 175.800 0.034 0.000 1.098 252 F CA -1.039 57.020 58.000 0.099 0.000 0.937 252 F CB 0.977 40.032 39.000 0.092 0.000 1.250 252 F HN 0.029 nan 8.300 nan 0.000 0.447 253 Q N 1.157 120.999 119.800 0.071 0.000 1.917 253 Q HA -0.088 4.253 4.340 0.001 0.000 0.205 253 Q C -0.058 175.984 176.000 0.069 0.000 0.988 253 Q CA 1.787 57.581 55.803 -0.014 0.000 0.851 253 Q CB -0.412 28.296 28.738 -0.050 0.000 0.916 253 Q HN 0.830 nan 8.270 nan 0.000 0.424 254 H N -1.108 117.940 119.070 -0.036 0.000 2.573 254 H HA 0.550 5.107 4.556 0.002 0.000 0.351 254 H C -1.046 174.426 175.328 0.241 0.000 1.163 254 H CA -0.504 55.555 56.048 0.018 0.000 1.205 254 H CB 1.187 30.808 29.762 -0.234 0.000 1.605 254 H HN 0.082 nan 8.280 nan 0.000 0.525 255 M N 5.025 124.447 119.600 -0.298 0.000 2.393 255 M HA 0.452 4.933 4.480 0.001 0.000 0.316 255 M C -1.683 174.454 176.300 -0.272 0.000 1.087 255 M CA -0.662 54.519 55.300 -0.198 0.000 0.937 255 M CB 1.059 33.568 32.600 -0.150 0.000 1.668 255 M HN 0.531 nan 8.290 nan 0.000 0.438 256 I N 4.925 125.420 120.570 -0.125 0.000 2.355 256 I HA 0.270 4.441 4.170 0.001 0.000 0.288 256 I C -1.618 174.358 176.117 -0.234 0.000 0.999 256 I CA -0.751 60.476 61.300 -0.122 0.000 1.163 256 I CB 1.342 39.337 38.000 -0.008 0.000 1.316 256 I HN 0.681 nan 8.210 nan 0.000 0.454 257 Y N 5.823 125.809 120.300 -0.524 0.000 2.352 257 Y HA 0.345 4.896 4.550 0.001 0.000 0.339 257 Y C 0.840 176.517 175.900 -0.372 0.000 0.992 257 Y CA -0.431 57.310 58.100 -0.599 0.000 1.100 257 Y CB 1.731 39.573 38.460 -1.031 0.000 1.192 257 Y HN 0.615 nan 8.280 nan 0.000 0.458 258 T N 0.992 115.014 114.554 -0.887 0.000 3.111 258 T HA 0.396 4.747 4.350 0.001 0.000 0.284 258 T C 0.651 174.981 174.700 -0.617 0.000 0.983 258 T CA 0.153 61.934 62.100 -0.532 0.000 0.900 258 T CB -0.367 68.338 68.868 -0.273 0.000 1.132 258 T HN 0.766 nan 8.240 nan 0.000 0.531 259 G N 2.223 110.299 108.800 -1.206 0.000 2.535 259 G HA2 0.569 4.530 3.960 0.001 0.000 0.282 259 G HA3 0.569 4.530 3.960 0.001 0.000 0.282 259 G C -2.760 172.047 174.900 -0.155 0.000 1.350 259 G CA -1.704 43.023 45.100 -0.621 0.000 1.039 259 G HN 0.164 nan 8.290 nan 0.000 0.509 260 P HA 0.074 nan 4.420 nan 0.000 0.264 260 P C 1.158 178.698 177.300 0.399 0.000 1.193 260 P CA -0.292 62.887 63.100 0.132 0.000 0.763 260 P CB 0.914 32.612 31.700 -0.004 0.000 0.810 261 V N 3.184 123.360 119.914 0.438 0.000 2.244 261 V HA -0.256 3.865 4.120 0.001 0.000 0.244 261 V C 2.076 178.228 176.094 0.098 0.000 1.042 261 V CA 2.341 64.870 62.300 0.382 0.000 1.006 261 V CB -1.453 30.591 31.823 0.369 0.000 0.641 261 V HN 0.540 nan 8.190 nan 0.000 0.446 262 D N 2.445 122.728 120.400 -0.195 0.000 2.149 262 D HA -0.255 4.386 4.640 0.001 0.000 0.194 262 D C 1.965 177.935 176.300 -0.551 0.000 1.001 262 D CA 2.122 55.758 54.000 -0.607 0.000 0.849 262 D CB -0.695 39.952 40.800 -0.255 0.000 0.939 262 D HN 0.481 nan 8.370 nan 0.000 0.449 263 A N -0.500 122.023 122.820 -0.495 0.000 2.070 263 A HA -0.028 4.293 4.320 0.001 0.000 0.220 263 A C 2.028 179.338 177.584 -0.457 0.000 1.159 263 A CA 0.915 52.447 52.037 -0.842 0.000 0.656 263 A CB -1.152 17.756 19.000 -0.154 0.000 0.800 263 A HN 0.300 nan 8.150 nan 0.000 0.453 264 F N -1.176 118.516 119.950 -0.430 0.000 2.367 264 F HA 0.095 4.623 4.527 0.001 0.000 0.298 264 F C 0.803 176.180 175.800 -0.706 0.000 1.094 264 F CA 0.867 58.496 58.000 -0.618 0.000 1.409 264 F CB 0.094 38.548 39.000 -0.910 0.000 1.064 264 F HN 0.179 nan 8.300 nan 0.000 0.528 265 F N 0.856 120.777 119.950 -0.049 0.000 2.837 265 F HA 0.206 4.734 4.527 0.001 0.000 0.298 265 F C 0.207 175.922 175.800 -0.141 0.000 1.161 265 F CA -0.642 57.333 58.000 -0.042 0.000 1.353 265 F CB -0.477 38.617 39.000 0.156 0.000 0.951 265 F HN -0.147 nan 8.300 nan 0.000 0.508 266 D N -0.046 120.220 120.400 -0.224 0.000 2.792 266 D HA -0.305 4.336 4.640 0.001 0.000 0.231 266 D C 0.298 176.634 176.300 0.059 0.000 1.160 266 D CA 1.110 55.006 54.000 -0.174 0.000 0.697 266 D CB -1.794 38.996 40.800 -0.017 0.000 1.070 266 D HN 0.459 nan 8.370 nan 0.000 0.426 267 F N -3.403 116.670 119.950 0.206 0.000 3.034 267 F HA -0.391 4.137 4.527 0.002 0.000 0.286 267 F C 2.423 178.366 175.800 0.238 0.000 0.804 267 F CA 0.513 58.672 58.000 0.265 0.000 1.161 267 F CB -2.770 36.334 39.000 0.174 0.000 1.317 267 F HN 0.451 nan 8.300 nan 0.000 0.453 268 C N -1.991 117.442 119.300 0.221 0.000 2.398 268 C HA -0.228 4.233 4.460 0.001 0.000 0.282 268 C C 2.012 176.989 174.990 -0.023 0.000 1.275 268 C CA 1.288 60.295 59.018 -0.018 0.000 1.797 268 C CB -1.337 26.229 27.740 -0.291 0.000 1.991 268 C HN 0.524 nan 8.230 nan 0.000 0.505 269 Y N 2.572 122.944 120.300 0.121 0.000 2.607 269 Y HA 0.485 5.036 4.550 0.001 0.000 0.266 269 Y C 1.479 177.452 175.900 0.121 0.000 1.178 269 Y CA -0.124 57.946 58.100 -0.050 0.000 1.226 269 Y CB -0.621 37.532 38.460 -0.513 0.000 1.144 269 Y HN 0.745 nan 8.280 nan 0.000 0.528 270 G N 0.700 109.726 108.800 0.376 0.000 2.707 270 G HA2 -0.191 3.770 3.960 0.001 0.000 0.686 270 G HA3 -0.191 3.770 3.960 0.001 0.000 0.686 270 G C -0.894 174.262 174.900 0.428 0.000 1.315 270 G CA -1.138 44.153 45.100 0.317 0.000 0.832 270 G HN 0.158 nan 8.290 nan 0.000 0.573 271 K N 0.287 120.859 120.400 0.287 0.000 2.383 271 K HA 0.449 4.770 4.320 0.001 0.000 0.286 271 K C 0.717 177.490 176.600 0.289 0.000 1.051 271 K CA -0.424 56.039 56.287 0.293 0.000 0.974 271 K CB 0.432 32.995 32.500 0.105 0.000 0.968 271 K HN 0.607 nan 8.250 nan 0.000 0.475 272 L N 7.841 129.255 121.223 0.319 0.000 2.361 272 L HA 0.303 4.644 4.340 0.001 0.000 0.278 272 L C -2.098 174.850 176.870 0.130 0.000 1.113 272 L CA -2.005 52.931 54.840 0.159 0.000 0.849 272 L CB 0.956 43.017 42.059 0.003 0.000 1.155 272 L HN 0.636 nan 8.230 nan 0.000 0.452 273 P HA 0.201 nan 4.420 nan 0.000 0.276 273 P C -1.561 175.799 177.300 0.101 0.000 1.235 273 P CA 0.306 63.498 63.100 0.153 0.000 0.772 273 P CB 0.424 32.215 31.700 0.152 0.000 0.871 274 Y N 1.262 121.715 120.300 0.254 0.000 2.536 274 Y HA 0.613 5.164 4.550 0.001 0.000 0.347 274 Y C 0.710 176.724 175.900 0.190 0.000 1.000 274 Y CA -1.014 57.228 58.100 0.237 0.000 1.051 274 Y CB 1.954 40.526 38.460 0.185 0.000 1.259 274 Y HN 0.142 nan 8.280 nan 0.000 0.468 275 R N 0.772 121.501 120.500 0.380 0.000 2.474 275 R HA 0.637 4.978 4.340 0.001 0.000 0.295 275 R C -0.561 175.901 176.300 0.269 0.000 0.980 275 R CA -0.254 55.993 56.100 0.245 0.000 0.934 275 R CB 1.564 31.910 30.300 0.077 0.000 1.101 275 R HN 0.693 nan 8.270 nan 0.000 0.469 276 S N 2.432 118.233 115.700 0.169 0.000 2.766 276 S HA 0.758 5.229 4.470 0.001 0.000 0.307 276 S C -1.255 173.488 174.600 0.239 0.000 1.121 276 S CA -0.687 57.616 58.200 0.171 0.000 0.980 276 S CB 0.617 63.827 63.200 0.017 0.000 1.159 276 S HN 0.426 nan 8.310 nan 0.000 0.546 277 L N 1.387 122.790 121.223 0.300 0.000 2.445 277 L HA 0.533 4.873 4.340 0.001 0.000 0.262 277 L C -0.522 176.266 176.870 -0.138 0.000 0.974 277 L CA -0.518 54.309 54.840 -0.021 0.000 0.822 277 L CB 2.084 43.946 42.059 -0.327 0.000 1.339 277 L HN 0.640 nan 8.230 nan 0.000 0.409 278 E N 1.823 121.933 120.200 -0.150 0.000 2.231 278 E HA 0.495 4.846 4.350 0.001 0.000 0.277 278 E C -1.702 174.776 176.600 -0.203 0.000 0.999 278 E CA -0.526 55.817 56.400 -0.095 0.000 0.827 278 E CB 1.165 30.841 29.700 -0.040 0.000 1.101 278 E HN 0.336 nan 8.360 nan 0.000 0.393 279 F N 2.856 122.903 119.950 0.161 0.000 2.482 279 F HA 0.400 4.928 4.527 0.001 0.000 0.331 279 F C 0.393 176.194 175.800 0.003 0.000 1.115 279 F CA -0.885 57.166 58.000 0.086 0.000 0.955 279 F CB 1.659 40.689 39.000 0.050 0.000 1.136 279 F HN 0.281 nan 8.300 nan 0.000 0.452 280 R N 3.900 124.503 120.500 0.170 0.000 2.388 280 R HA 0.339 4.680 4.340 0.001 0.000 0.314 280 R C -1.265 175.072 176.300 0.061 0.000 0.959 280 R CA -0.537 55.627 56.100 0.106 0.000 0.851 280 R CB 0.520 30.881 30.300 0.103 0.000 1.168 280 R HN 0.713 nan 8.270 nan 0.000 0.472 281 H N 2.662 121.844 119.070 0.188 0.000 2.472 281 H HA 0.328 4.885 4.556 0.001 0.000 0.335 281 H C -0.551 174.830 175.328 0.089 0.000 1.136 281 H CA -0.335 55.809 56.048 0.159 0.000 1.264 281 H CB 1.984 31.809 29.762 0.104 0.000 1.486 281 H HN 0.578 nan 8.280 nan 0.000 0.517 282 E N 0.613 120.919 120.200 0.176 0.000 2.367 282 E HA 0.322 4.673 4.350 0.001 0.000 0.273 282 E C -0.961 175.563 176.600 -0.126 0.000 0.903 282 E CA -0.760 55.625 56.400 -0.025 0.000 0.764 282 E CB 2.376 32.025 29.700 -0.084 0.000 1.252 282 E HN 0.413 nan 8.360 nan 0.000 0.446 283 T N 1.387 115.791 114.554 -0.251 0.000 2.823 283 T HA 0.453 4.804 4.350 0.001 0.000 0.279 283 T C -1.120 173.342 174.700 -0.396 0.000 0.998 283 T CA -0.640 61.321 62.100 -0.230 0.000 0.994 283 T CB 0.605 69.393 68.868 -0.133 0.000 0.960 283 T HN 0.340 nan 8.240 nan 0.000 0.448 284 H N 0.416 119.480 119.070 -0.010 0.000 2.679 284 H HA 0.389 4.946 4.556 0.001 0.000 0.367 284 H C -0.484 174.836 175.328 -0.014 0.000 1.162 284 H CA -0.821 55.228 56.048 0.001 0.000 1.181 284 H CB 1.244 31.014 29.762 0.013 0.000 1.693 284 H HN 0.429 nan 8.280 nan 0.000 0.538 285 D N 1.805 122.291 120.400 0.143 0.000 2.845 285 D HA 0.119 4.760 4.640 0.001 0.000 0.235 285 D C -0.607 175.747 176.300 0.090 0.000 1.158 285 D CA -0.096 53.959 54.000 0.092 0.000 0.990 285 D CB -0.433 40.424 40.800 0.095 0.000 1.094 285 D HN 0.659 nan 8.370 nan 0.000 0.486 286 T N -2.938 111.663 114.554 0.078 0.000 2.762 286 T HA 0.310 4.661 4.350 0.001 0.000 0.301 286 T C 0.935 175.665 174.700 0.051 0.000 1.299 286 T CA -0.795 61.343 62.100 0.064 0.000 1.005 286 T CB 1.277 70.173 68.868 0.047 0.000 1.377 286 T HN -0.030 nan 8.240 nan 0.000 0.504 287 E N -0.029 120.201 120.200 0.049 0.000 2.112 287 E HA 0.004 4.355 4.350 0.001 0.000 0.190 287 E C 0.546 177.154 176.600 0.012 0.000 0.979 287 E CA 0.654 57.078 56.400 0.039 0.000 0.814 287 E CB 0.289 30.013 29.700 0.041 0.000 0.762 287 E HN 0.536 nan 8.360 nan 0.000 0.460 288 Q N 0.589 120.401 119.800 0.019 0.000 2.275 288 Q HA 0.156 4.497 4.340 0.001 0.000 0.258 288 Q C -0.269 175.756 176.000 0.042 0.000 0.960 288 Q CA -0.193 55.625 55.803 0.025 0.000 0.801 288 Q CB 1.844 30.591 28.738 0.014 0.000 1.302 288 Q HN 0.077 nan 8.270 nan 0.000 0.433 289 L N 4.204 125.457 121.223 0.051 0.000 2.084 289 L HA 0.255 4.596 4.340 0.001 0.000 0.202 289 L C -0.117 176.763 176.870 0.017 0.000 1.074 289 L CA 1.331 56.176 54.840 0.010 0.000 0.757 289 L CB 0.412 42.465 42.059 -0.011 0.000 0.918 289 L HN 0.548 nan 8.230 nan 0.000 0.444 290 L N -0.437 120.813 121.223 0.045 0.000 2.334 290 L HA 0.388 4.728 4.340 0.001 0.000 0.270 290 L C -1.569 175.324 176.870 0.039 0.000 1.018 290 L CA -1.693 53.141 54.840 -0.010 0.000 0.811 290 L CB 0.499 42.489 42.059 -0.116 0.000 1.271 290 L HN -0.150 nan 8.230 nan 0.000 0.443 291 P HA -0.007 nan 4.420 nan 0.000 0.231 291 P C 0.203 177.463 177.300 -0.067 0.000 1.168 291 P CA 0.770 63.876 63.100 0.010 0.000 0.779 291 P CB 0.233 31.922 31.700 -0.017 0.000 0.844 292 T N -6.089 108.267 114.554 -0.329 0.000 2.778 292 T HA 0.545 4.896 4.350 0.001 0.000 0.293 292 T C 1.387 175.571 174.700 -0.861 0.000 1.144 292 T CA -0.128 61.642 62.100 -0.550 0.000 1.010 292 T CB 0.913 69.610 68.868 -0.285 0.000 1.325 292 T HN -0.120 nan 8.240 nan 0.000 0.515 293 G N 0.018 108.486 108.800 -0.553 0.000 2.432 293 G HA2 0.279 4.240 3.960 0.001 0.000 0.219 293 G HA3 0.279 4.240 3.960 0.001 0.000 0.219 293 G C 0.320 175.137 174.900 -0.139 0.000 1.135 293 G CA 0.844 45.821 45.100 -0.204 0.000 0.767 293 G HN 0.917 nan 8.290 nan 0.000 0.550 294 T N -0.826 113.600 114.554 -0.214 0.000 2.993 294 T HA 0.483 4.834 4.350 0.001 0.000 0.312 294 T C -1.233 173.323 174.700 -0.239 0.000 1.115 294 T CA -0.459 61.526 62.100 -0.191 0.000 1.027 294 T CB 2.824 71.638 68.868 -0.089 0.000 1.116 294 T HN -0.101 nan 8.240 nan 0.000 0.464 295 V N 3.869 123.652 119.914 -0.218 0.000 2.378 295 V HA 0.453 4.574 4.120 0.001 0.000 0.288 295 V C -0.304 175.611 176.094 -0.298 0.000 1.016 295 V CA -1.027 61.103 62.300 -0.282 0.000 0.840 295 V CB 1.540 33.178 31.823 -0.307 0.000 0.994 295 V HN 0.737 nan 8.190 nan 0.000 0.431 296 N N 2.966 121.503 118.700 -0.271 0.000 2.524 296 N HA 0.431 5.172 4.740 0.001 0.000 0.283 296 N C -1.038 174.305 175.510 -0.277 0.000 1.142 296 N CA -0.155 52.837 53.050 -0.096 0.000 0.984 296 N CB 0.888 39.361 38.487 -0.023 0.000 1.155 296 N HN 0.574 nan 8.380 nan 0.000 0.467 297 Y N 1.181 121.608 120.300 0.212 0.000 2.805 297 Y HA 0.310 4.860 4.550 0.001 0.000 0.339 297 Y C -1.531 174.436 175.900 0.110 0.000 1.012 297 Y CA -1.657 56.527 58.100 0.140 0.000 1.262 297 Y CB 1.606 40.165 38.460 0.165 0.000 1.100 297 Y HN 0.536 nan 8.280 nan 0.000 0.559 298 P HA -0.096 nan 4.420 nan 0.000 0.220 298 P C 0.367 177.684 177.300 0.029 0.000 1.148 298 P CA 1.546 64.736 63.100 0.151 0.000 0.803 298 P CB 0.449 32.135 31.700 -0.022 0.000 0.782 299 N N -1.712 116.989 118.700 0.000 0.000 2.143 299 N HA 0.108 4.849 4.740 0.001 0.000 0.229 299 N C -0.468 174.983 175.510 -0.099 0.000 1.294 299 N CA 0.180 53.194 53.050 -0.061 0.000 0.883 299 N CB 1.174 39.605 38.487 -0.093 0.000 1.148 299 N HN 0.188 nan 8.380 nan 0.000 0.511 300 D N 0.286 120.634 120.400 -0.086 0.000 2.645 300 D HA 0.364 5.005 4.640 0.001 0.000 0.228 300 D C -0.682 175.405 176.300 -0.356 0.000 1.148 300 D CA -0.141 53.672 54.000 -0.311 0.000 0.860 300 D CB 2.089 42.621 40.800 -0.446 0.000 1.548 300 D HN -0.165 nan 8.370 nan 0.000 0.460 301 Y N -0.716 119.345 120.300 -0.398 0.000 2.512 301 Y HA -0.220 4.331 4.550 0.001 0.000 0.020 301 Y C 0.994 176.542 175.900 -0.587 0.000 1.708 301 Y CA -0.025 57.667 58.100 -0.679 0.000 1.416 301 Y CB -1.055 36.540 38.460 -1.441 0.000 2.061 301 Y HN 0.531 nan 8.280 nan 0.000 0.255 302 A N 1.305 123.914 122.820 -0.352 0.000 1.929 302 A HA 0.033 4.354 4.320 0.001 0.000 0.216 302 A C 0.482 177.856 177.584 -0.350 0.000 1.176 302 A CA 1.476 53.392 52.037 -0.201 0.000 0.628 302 A CB -0.728 18.315 19.000 0.070 0.000 0.816 302 A HN 0.705 nan 8.150 nan 0.000 0.444 303 Y N -0.974 119.029 120.300 -0.495 0.000 2.379 303 Y HA 0.407 4.958 4.550 0.001 0.000 0.337 303 Y C 1.503 177.244 175.900 -0.265 0.000 1.238 303 Y CA -0.121 57.589 58.100 -0.650 0.000 1.405 303 Y CB -0.182 37.826 38.460 -0.753 0.000 1.310 303 Y HN 0.054 nan 8.280 nan 0.000 0.569 304 T N -0.914 113.609 114.554 -0.051 0.000 3.009 304 T HA 0.257 4.608 4.350 0.001 0.000 0.258 304 T C 0.143 175.003 174.700 0.267 0.000 1.063 304 T CA 0.448 62.501 62.100 -0.079 0.000 1.139 304 T CB -0.199 68.458 68.868 -0.351 0.000 0.890 304 T HN 0.837 nan 8.240 nan 0.000 0.471 305 R N -0.347 120.331 120.500 0.297 0.000 2.712 305 R HA 0.679 5.019 4.340 0.001 0.000 0.272 305 R C -2.280 174.030 176.300 0.016 0.000 1.032 305 R CA -1.187 55.072 56.100 0.264 0.000 0.874 305 R CB 1.394 31.786 30.300 0.154 0.000 1.256 305 R HN 0.011 nan 8.270 nan 0.000 0.468 306 V N 0.237 120.076 119.914 -0.125 0.000 2.588 306 V HA 0.701 4.822 4.120 0.001 0.000 0.304 306 V C -0.544 175.339 176.094 -0.351 0.000 1.042 306 V CA -0.818 61.188 62.300 -0.489 0.000 0.877 306 V CB 1.832 33.223 31.823 -0.719 0.000 0.996 306 V HN 0.833 nan 8.190 nan 0.000 0.425 307 S N 2.350 117.800 115.700 -0.417 0.000 2.568 307 S HA 0.617 5.088 4.470 0.001 0.000 0.302 307 S C -0.649 173.631 174.600 -0.534 0.000 1.082 307 S CA -0.702 57.244 58.200 -0.423 0.000 1.009 307 S CB 2.119 65.054 63.200 -0.442 0.000 1.069 307 S HN 0.878 nan 8.310 nan 0.000 0.500 308 E N 1.048 121.018 120.200 -0.382 0.000 2.145 308 E HA 0.340 4.691 4.350 0.001 0.000 0.262 308 E C -0.371 176.113 176.600 -0.193 0.000 0.883 308 E CA -0.401 55.858 56.400 -0.236 0.000 0.748 308 E CB 0.421 30.158 29.700 0.062 0.000 1.140 308 E HN 0.600 nan 8.360 nan 0.000 0.417 309 F N 3.128 123.046 119.950 -0.053 0.000 2.171 309 F HA -0.161 4.367 4.527 0.002 0.000 0.300 309 F C 2.008 177.734 175.800 -0.123 0.000 1.090 309 F CA 0.955 58.867 58.000 -0.146 0.000 1.293 309 F CB 0.009 38.866 39.000 -0.238 0.000 1.013 309 F HN 0.434 nan 8.300 nan 0.000 0.486 310 K N -0.595 119.843 120.400 0.063 0.000 2.152 310 K HA -0.193 4.128 4.320 0.001 0.000 0.206 310 K C 1.794 178.344 176.600 -0.083 0.000 1.048 310 K CA 1.204 57.475 56.287 -0.026 0.000 0.933 310 K CB -0.398 32.069 32.500 -0.057 0.000 0.721 310 K HN 0.386 nan 8.250 nan 0.000 0.447 311 H N 0.195 119.229 119.070 -0.059 0.000 2.422 311 H HA -0.101 4.456 4.556 0.001 0.000 0.298 311 H C 2.012 177.162 175.328 -0.297 0.000 1.098 311 H CA 1.460 57.471 56.048 -0.062 0.000 1.315 311 H CB 0.080 29.856 29.762 0.024 0.000 1.382 311 H HN 0.212 nan 8.280 nan 0.000 0.523 312 I N 0.020 120.452 120.570 -0.231 0.000 2.731 312 I HA -0.124 4.047 4.170 0.001 0.000 0.260 312 I C 2.495 178.383 176.117 -0.382 0.000 1.138 312 I CA 1.119 62.053 61.300 -0.610 0.000 1.461 312 I CB 0.035 37.923 38.000 -0.187 0.000 1.128 312 I HN 0.202 nan 8.210 nan 0.000 0.438 313 T N -2.176 112.282 114.554 -0.160 0.000 3.035 313 T HA 0.200 4.551 4.350 0.001 0.000 0.259 313 T C 1.740 176.394 174.700 -0.076 0.000 1.078 313 T CA 0.722 62.768 62.100 -0.090 0.000 1.132 313 T CB 0.267 69.094 68.868 -0.068 0.000 0.900 313 T HN 0.468 nan 8.240 nan 0.000 0.480 314 G N 1.036 109.787 108.800 -0.082 0.000 2.176 314 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 314 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 314 G C -0.045 174.847 174.900 -0.013 0.000 0.979 314 G CA 0.213 45.289 45.100 -0.040 0.000 0.641 314 G HN 0.903 nan 8.290 nan 0.000 0.530 315 Q N 0.669 120.466 119.800 -0.005 0.000 2.300 315 Q HA 0.311 4.652 4.340 0.001 0.000 0.280 315 Q C 0.701 176.735 176.000 0.057 0.000 1.033 315 Q CA -0.236 55.593 55.803 0.042 0.000 0.903 315 Q CB 0.345 29.120 28.738 0.062 0.000 1.195 315 Q HN 0.552 nan 8.270 nan 0.000 0.386 316 R N 3.319 123.865 120.500 0.078 0.000 2.357 316 R HA 0.240 4.581 4.340 0.001 0.000 0.296 316 R C -1.255 175.144 176.300 0.164 0.000 1.052 316 R CA -0.270 55.882 56.100 0.087 0.000 0.988 316 R CB 0.733 31.067 30.300 0.056 0.000 1.025 316 R HN 0.738 nan 8.270 nan 0.000 0.469 317 H N 2.730 121.825 119.070 0.042 0.000 3.094 317 H HA 0.024 4.580 4.556 0.001 0.000 0.335 317 H C 0.026 175.391 175.328 0.061 0.000 1.254 317 H CA -0.525 55.562 56.048 0.066 0.000 1.240 317 H CB 0.939 30.716 29.762 0.025 0.000 1.936 317 H HN 0.931 nan 8.280 nan 0.000 0.536 318 H N 1.744 120.965 119.070 0.252 0.000 2.524 318 H HA 0.128 4.685 4.556 0.001 0.000 0.282 318 H C -0.368 175.120 175.328 0.267 0.000 1.016 318 H CA 0.434 56.600 56.048 0.197 0.000 1.270 318 H CB 0.918 30.720 29.762 0.066 0.000 1.394 318 H HN 0.467 nan 8.280 nan 0.000 0.568 319 Q N -0.058 119.737 119.800 -0.008 0.000 2.962 319 Q HA 0.526 4.867 4.340 0.001 0.000 0.282 319 Q C -0.817 175.055 176.000 -0.213 0.000 1.058 319 Q CA -0.972 54.715 55.803 -0.193 0.000 0.854 319 Q CB 2.404 30.935 28.738 -0.346 0.000 1.441 319 Q HN 0.150 nan 8.270 nan 0.000 0.497 320 T N -0.216 114.240 114.554 -0.164 0.000 2.982 320 T HA 0.465 4.816 4.350 0.001 0.000 0.321 320 T C -1.654 173.015 174.700 -0.052 0.000 1.229 320 T CA -0.386 61.651 62.100 -0.106 0.000 1.044 320 T CB 1.519 70.383 68.868 -0.007 0.000 1.184 320 T HN 0.448 nan 8.240 nan 0.000 0.477 321 S N 1.876 117.565 115.700 -0.019 0.000 2.513 321 S HA 0.851 5.322 4.470 0.001 0.000 0.299 321 S C -0.272 174.413 174.600 0.142 0.000 1.087 321 S CA -0.670 57.564 58.200 0.056 0.000 1.012 321 S CB 1.556 64.785 63.200 0.048 0.000 1.044 321 S HN 0.939 nan 8.310 nan 0.000 0.485 322 V N -0.029 119.956 119.914 0.119 0.000 3.158 322 V HA 0.978 5.099 4.120 0.001 0.000 0.311 322 V C -0.816 175.302 176.094 0.039 0.000 1.181 322 V CA -0.819 61.453 62.300 -0.046 0.000 1.054 322 V CB 1.737 33.495 31.823 -0.109 0.000 1.085 322 V HN 0.643 nan 8.190 nan 0.000 0.446 323 V N 1.287 121.083 119.914 -0.195 0.000 2.733 323 V HA 0.645 4.766 4.120 0.001 0.000 0.306 323 V C -1.719 174.228 176.094 -0.244 0.000 1.084 323 V CA -0.422 61.815 62.300 -0.105 0.000 0.905 323 V CB 1.992 33.806 31.823 -0.016 0.000 1.010 323 V HN 0.876 nan 8.190 nan 0.000 0.424 324 Y N 4.033 124.265 120.300 -0.114 0.000 2.320 324 Y HA 0.569 5.120 4.550 0.001 0.000 0.334 324 Y C 0.586 176.504 175.900 0.030 0.000 1.055 324 Y CA -0.409 57.584 58.100 -0.178 0.000 1.143 324 Y CB 1.448 39.680 38.460 -0.380 0.000 1.193 324 Y HN 0.583 nan 8.280 nan 0.000 0.477 325 E N 2.933 123.194 120.200 0.102 0.000 2.175 325 E HA 0.290 4.641 4.350 0.001 0.000 0.278 325 E C -1.669 174.890 176.600 -0.069 0.000 0.969 325 E CA -0.786 55.661 56.400 0.078 0.000 0.796 325 E CB 1.173 30.926 29.700 0.089 0.000 1.104 325 E HN 0.483 nan 8.360 nan 0.000 0.395 326 Y N 2.478 122.736 120.300 -0.070 0.000 2.356 326 Y HA 0.272 4.823 4.550 0.001 0.000 0.334 326 Y C -2.240 173.599 175.900 -0.103 0.000 0.958 326 Y CA -2.893 55.182 58.100 -0.041 0.000 1.196 326 Y CB 1.162 39.612 38.460 -0.016 0.000 1.137 326 Y HN 0.398 nan 8.280 nan 0.000 0.485 327 P HA 0.177 nan 4.420 nan 0.000 0.268 327 P C -0.380 176.926 177.300 0.010 0.000 1.205 327 P CA -0.005 63.061 63.100 -0.058 0.000 0.771 327 P CB 0.752 32.364 31.700 -0.146 0.000 0.858 328 R N 1.509 122.017 120.500 0.014 0.000 2.707 328 R HA 0.550 4.891 4.340 0.001 0.000 0.272 328 R C 0.321 176.647 176.300 0.044 0.000 1.011 328 R CA -0.842 55.279 56.100 0.035 0.000 0.893 328 R CB 1.814 32.138 30.300 0.040 0.000 1.233 328 R HN 0.385 nan 8.270 nan 0.000 0.464 329 A N 0.879 123.727 122.820 0.048 0.000 2.095 329 A HA 0.126 4.447 4.320 0.001 0.000 0.212 329 A C 0.121 177.744 177.584 0.065 0.000 1.162 329 A CA 0.882 52.958 52.037 0.065 0.000 0.753 329 A CB 0.227 19.263 19.000 0.061 0.000 0.840 329 A HN 0.550 nan 8.150 nan 0.000 0.468 330 E N -1.728 118.499 120.200 0.045 0.000 2.244 330 E HA 0.603 4.954 4.350 0.001 0.000 0.266 330 E C 0.113 176.724 176.600 0.019 0.000 0.914 330 E CA 0.572 56.992 56.400 0.033 0.000 0.794 330 E CB 1.871 31.585 29.700 0.023 0.000 1.210 330 E HN 0.683 nan 8.360 nan 0.000 0.414 331 G N 1.662 110.460 108.800 -0.002 0.000 2.343 331 G HA2 -0.060 3.901 3.960 0.001 0.000 0.465 331 G HA3 -0.060 3.901 3.960 0.001 0.000 0.465 331 G C -1.440 173.388 174.900 -0.121 0.000 1.282 331 G CA -1.093 43.990 45.100 -0.028 0.000 0.996 331 G HN 0.486 nan 8.290 nan 0.000 0.521 332 D N 2.283 122.571 120.400 -0.186 0.000 2.583 332 D HA 0.310 4.951 4.640 0.001 0.000 0.232 332 D C -1.675 174.212 176.300 -0.689 0.000 1.128 332 D CA 0.279 54.050 54.000 -0.380 0.000 0.859 332 D CB 0.768 41.363 40.800 -0.342 0.000 1.169 332 D HN 0.288 nan 8.370 nan 0.000 0.481 333 P HA 0.052 nan 4.420 nan 0.000 0.276 333 P C -0.424 176.650 177.300 -0.377 0.000 1.253 333 P CA 0.168 63.013 63.100 -0.425 0.000 0.766 333 P CB 0.333 31.632 31.700 -0.669 0.000 0.845 334 Y N 1.406 121.726 120.300 0.033 0.000 2.585 334 Y HA 0.211 4.762 4.550 0.001 0.000 0.272 334 Y C 0.357 176.121 175.900 -0.227 0.000 1.119 334 Y CA -0.260 57.779 58.100 -0.102 0.000 1.255 334 Y CB 0.551 38.937 38.460 -0.123 0.000 1.284 334 Y HN 0.200 nan 8.280 nan 0.000 0.499 335 Y N 1.498 121.934 120.300 0.226 0.000 2.391 335 Y HA 0.434 4.985 4.550 0.002 0.000 0.341 335 Y C -2.670 173.315 175.900 0.142 0.000 0.965 335 Y CA -3.416 54.729 58.100 0.074 0.000 1.067 335 Y CB 1.241 39.646 38.460 -0.092 0.000 1.199 335 Y HN -0.201 nan 8.280 nan 0.000 0.450 336 P HA 0.157 nan 4.420 nan 0.000 0.274 336 P C -0.732 176.499 177.300 -0.114 0.000 1.237 336 P CA -0.380 62.422 63.100 -0.496 0.000 0.793 336 P CB 1.184 32.076 31.700 -1.346 0.000 0.977 337 V N 2.994 122.884 119.914 -0.040 0.000 2.239 337 V HA 0.231 4.352 4.120 0.001 0.000 0.267 337 V C -2.225 173.845 176.094 -0.040 0.000 1.056 337 V CA -1.875 60.462 62.300 0.062 0.000 0.830 337 V CB 0.472 32.409 31.823 0.190 0.000 1.090 337 V HN 0.486 nan 8.190 nan 0.000 0.459 338 P HA 0.248 nan 4.420 nan 0.000 0.264 338 P C -0.231 177.026 177.300 -0.071 0.000 1.229 338 P CA 0.240 63.299 63.100 -0.069 0.000 0.780 338 P CB 0.219 31.874 31.700 -0.075 0.000 0.808 339 R N 2.647 123.150 120.500 0.006 0.000 2.664 339 R HA 0.369 4.710 4.340 0.001 0.000 0.266 339 R C -2.864 173.452 176.300 0.026 0.000 1.046 339 R CA -1.873 54.222 56.100 -0.007 0.000 0.885 339 R CB -0.109 30.179 30.300 -0.021 0.000 1.254 339 R HN -0.036 nan 8.270 nan 0.000 0.465 340 P HA -0.358 nan 4.420 nan 0.000 0.222 340 P C 0.962 178.278 177.300 0.027 0.000 1.147 340 P CA 2.525 65.635 63.100 0.018 0.000 0.958 340 P CB 0.057 31.760 31.700 0.005 0.000 0.788 341 E N -1.882 118.332 120.200 0.025 0.000 2.274 341 E HA -0.159 4.192 4.350 0.001 0.000 0.194 341 E C 1.500 178.123 176.600 0.038 0.000 0.996 341 E CA 0.912 57.326 56.400 0.024 0.000 0.840 341 E CB -0.633 29.080 29.700 0.022 0.000 0.772 341 E HN 0.198 nan 8.360 nan 0.000 0.491 342 N N 1.431 120.168 118.700 0.062 0.000 2.251 342 N HA 0.018 4.759 4.740 0.001 0.000 0.181 342 N C 1.854 177.420 175.510 0.094 0.000 1.019 342 N CA 1.497 54.597 53.050 0.084 0.000 0.862 342 N CB -0.400 38.176 38.487 0.147 0.000 0.992 342 N HN 0.311 nan 8.380 nan 0.000 0.429 343 A N 1.718 124.616 122.820 0.130 0.000 1.986 343 A HA -0.224 4.097 4.320 0.001 0.000 0.220 343 A C 2.046 179.693 177.584 0.104 0.000 1.171 343 A CA 1.911 54.044 52.037 0.159 0.000 0.640 343 A CB -0.557 18.520 19.000 0.129 0.000 0.811 343 A HN 0.640 nan 8.150 nan 0.000 0.451 344 E N -0.471 119.755 120.200 0.043 0.000 2.112 344 E HA -0.073 4.278 4.350 0.001 0.000 0.190 344 E C 2.010 178.581 176.600 -0.048 0.000 0.979 344 E CA 0.783 57.175 56.400 -0.013 0.000 0.814 344 E CB -0.465 29.219 29.700 -0.028 0.000 0.762 344 E HN 0.515 nan 8.360 nan 0.000 0.460 345 L N 0.306 121.522 121.223 -0.012 0.000 2.046 345 L HA -0.188 4.153 4.340 0.001 0.000 0.208 345 L C 2.602 179.499 176.870 0.045 0.000 1.077 345 L CA 1.760 56.597 54.840 -0.004 0.000 0.747 345 L CB -0.386 41.715 42.059 0.070 0.000 0.896 345 L HN 0.248 nan 8.230 nan 0.000 0.432 346 Y N 0.910 121.162 120.300 -0.081 0.000 2.200 346 Y HA -0.263 4.288 4.550 0.001 0.000 0.290 346 Y C 2.556 178.452 175.900 -0.006 0.000 1.137 346 Y CA 1.595 59.647 58.100 -0.080 0.000 1.163 346 Y CB -0.244 38.064 38.460 -0.253 0.000 0.988 346 Y HN 0.035 nan 8.280 nan 0.000 0.518 347 K N 0.309 120.570 120.400 -0.232 0.000 2.034 347 K HA -0.243 4.078 4.320 0.001 0.000 0.214 347 K C 2.095 178.480 176.600 -0.358 0.000 1.051 347 K CA 2.036 58.134 56.287 -0.315 0.000 0.931 347 K CB -0.148 32.260 32.500 -0.153 0.000 0.715 347 K HN 0.259 nan 8.250 nan 0.000 0.446 348 K N 0.182 120.379 120.400 -0.339 0.000 2.034 348 K HA -0.210 4.111 4.320 0.001 0.000 0.214 348 K C 2.252 178.651 176.600 -0.334 0.000 1.051 348 K CA 1.852 57.855 56.287 -0.473 0.000 0.931 348 K CB -0.628 31.379 32.500 -0.821 0.000 0.715 348 K HN 0.335 nan 8.250 nan 0.000 0.446 349 Y N 1.272 121.471 120.300 -0.169 0.000 2.242 349 Y HA -0.163 4.388 4.550 0.001 0.000 0.291 349 Y C 2.649 178.289 175.900 -0.433 0.000 1.137 349 Y CA 1.223 59.205 58.100 -0.196 0.000 1.181 349 Y CB -0.122 38.322 38.460 -0.026 0.000 0.989 349 Y HN 0.279 nan 8.280 nan 0.000 0.527 350 E N 0.325 120.230 120.200 -0.493 0.000 2.153 350 E HA -0.228 4.123 4.350 0.001 0.000 0.194 350 E C 2.283 178.689 176.600 -0.324 0.000 0.988 350 E CA 0.873 56.959 56.400 -0.524 0.000 0.811 350 E CB -0.128 29.143 29.700 -0.714 0.000 0.746 350 E HN 0.453 nan 8.360 nan 0.000 0.466 351 A N 0.954 123.604 122.820 -0.284 0.000 1.902 351 A HA -0.145 4.176 4.320 0.001 0.000 0.217 351 A C 2.162 179.623 177.584 -0.206 0.000 1.181 351 A CA 1.062 52.977 52.037 -0.203 0.000 0.623 351 A CB -0.585 18.307 19.000 -0.180 0.000 0.818 351 A HN 0.288 nan 8.150 nan 0.000 0.443 352 L N -0.819 120.215 121.223 -0.315 0.000 2.046 352 L HA -0.184 4.157 4.340 0.001 0.000 0.208 352 L C 3.095 179.771 176.870 -0.322 0.000 1.077 352 L CA 1.054 55.625 54.840 -0.449 0.000 0.747 352 L CB -0.675 40.772 42.059 -1.020 0.000 0.896 352 L HN 0.436 nan 8.230 nan 0.000 0.432 353 A N -0.057 122.536 122.820 -0.380 0.000 1.933 353 A HA -0.229 4.092 4.320 0.001 0.000 0.218 353 A C 1.921 179.434 177.584 -0.119 0.000 1.175 353 A CA 1.987 53.804 52.037 -0.366 0.000 0.628 353 A CB -0.472 18.019 19.000 -0.848 0.000 0.814 353 A HN 0.364 nan 8.150 nan 0.000 0.444 354 D N -0.137 120.202 120.400 -0.102 0.000 2.224 354 D HA 0.029 4.669 4.640 0.001 0.000 0.205 354 D C 2.057 178.386 176.300 0.048 0.000 0.965 354 D CA 1.277 55.275 54.000 -0.003 0.000 0.852 354 D CB -0.254 40.530 40.800 -0.027 0.000 0.947 354 D HN 0.447 nan 8.370 nan 0.000 0.494 355 A N 0.791 123.629 122.820 0.029 0.000 2.067 355 A HA 0.231 4.551 4.320 0.001 0.000 0.217 355 A C 1.441 179.110 177.584 0.141 0.000 1.156 355 A CA 0.592 52.667 52.037 0.063 0.000 0.683 355 A CB -0.251 18.765 19.000 0.026 0.000 0.808 355 A HN 0.156 nan 8.150 nan 0.000 0.455 356 A N 0.764 123.715 122.820 0.219 0.000 2.500 356 A HA 0.254 4.575 4.320 0.001 0.000 0.285 356 A C 1.207 178.946 177.584 0.258 0.000 1.183 356 A CA -0.174 52.057 52.037 0.322 0.000 0.851 356 A CB -0.029 19.285 19.000 0.523 0.000 1.091 356 A HN 0.517 nan 8.150 nan 0.000 0.521 357 Q N 1.550 121.472 119.800 0.204 0.000 2.020 357 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 357 Q C -0.086 176.053 176.000 0.232 0.000 0.982 357 Q CA 1.449 57.359 55.803 0.178 0.000 0.838 357 Q CB -0.011 28.806 28.738 0.130 0.000 0.899 357 Q HN 0.799 nan 8.270 nan 0.000 0.423 358 D N 0.197 120.718 120.400 0.202 0.000 2.738 358 D HA 0.215 4.856 4.640 0.001 0.000 0.246 358 D C -0.763 175.446 176.300 -0.151 0.000 1.270 358 D CA 0.046 54.170 54.000 0.206 0.000 0.833 358 D CB 0.853 41.737 40.800 0.140 0.000 1.040 358 D HN -0.108 nan 8.370 nan 0.000 0.487 359 V N 0.338 120.228 119.914 -0.039 0.000 2.668 359 V HA 0.306 4.426 4.120 0.001 0.000 0.304 359 V C 0.032 176.135 176.094 0.015 0.000 1.071 359 V CA -0.679 61.487 62.300 -0.223 0.000 0.894 359 V CB 2.344 34.079 31.823 -0.146 0.000 1.008 359 V HN -0.100 nan 8.190 nan 0.000 0.425 360 T N 5.263 119.785 114.554 -0.053 0.000 2.771 360 T HA 0.695 5.046 4.350 0.001 0.000 0.281 360 T C -0.719 173.986 174.700 0.009 0.000 0.982 360 T CA -0.111 62.106 62.100 0.195 0.000 0.978 360 T CB 0.632 69.693 68.868 0.322 0.000 0.930 360 T HN 0.288 nan 8.240 nan 0.000 0.447 361 F N 2.424 122.424 119.950 0.083 0.000 2.420 361 F HA 0.697 5.225 4.527 0.001 0.000 0.342 361 F C 0.272 176.137 175.800 0.109 0.000 1.113 361 F CA -0.962 57.091 58.000 0.088 0.000 1.059 361 F CB 1.449 40.520 39.000 0.119 0.000 1.128 361 F HN 0.240 nan 8.300 nan 0.000 0.475 362 V N 2.451 122.487 119.914 0.204 0.000 2.969 362 V HA 0.916 5.037 4.120 0.001 0.000 0.304 362 V C -0.526 175.648 176.094 0.134 0.000 1.192 362 V CA 0.286 62.692 62.300 0.177 0.000 0.962 362 V CB 1.425 33.332 31.823 0.140 0.000 1.045 362 V HN 1.257 nan 8.190 nan 0.000 0.428 363 G N 4.944 113.851 108.800 0.177 0.000 2.423 363 G HA2 -0.047 3.914 3.960 0.001 0.000 0.684 363 G HA3 -0.047 3.914 3.960 0.001 0.000 0.684 363 G C 0.097 175.094 174.900 0.161 0.000 1.309 363 G CA 0.195 45.396 45.100 0.168 0.000 0.950 363 G HN 1.302 nan 8.290 nan 0.000 0.587 364 R N -0.449 120.147 120.500 0.160 0.000 2.091 364 R HA -0.003 4.338 4.340 0.001 0.000 0.238 364 R C 2.278 178.641 176.300 0.106 0.000 1.136 364 R CA 2.207 58.377 56.100 0.117 0.000 0.959 364 R CB -0.365 30.021 30.300 0.143 0.000 0.856 364 R HN 0.539 nan 8.270 nan 0.000 0.437 365 L N -0.424 120.867 121.223 0.114 0.000 2.162 365 L HA 0.086 4.426 4.340 0.001 0.000 0.205 365 L C 2.603 179.634 176.870 0.269 0.000 1.086 365 L CA 0.922 55.864 54.840 0.170 0.000 0.778 365 L CB -0.368 41.678 42.059 -0.021 0.000 0.928 365 L HN 0.269 nan 8.230 nan 0.000 0.446 366 A N -0.149 122.792 122.820 0.202 0.000 2.072 366 A HA -0.076 4.245 4.320 0.001 0.000 0.216 366 A C 2.124 179.948 177.584 0.400 0.000 1.156 366 A CA 1.516 53.758 52.037 0.341 0.000 0.701 366 A CB -0.482 18.679 19.000 0.269 0.000 0.816 366 A HN 0.456 nan 8.150 nan 0.000 0.458 367 T N -7.108 107.602 114.554 0.261 0.000 3.044 367 T HA 0.180 4.531 4.350 0.001 0.000 0.260 367 T C 0.272 174.903 174.700 -0.116 0.000 1.019 367 T CA 0.172 62.394 62.100 0.204 0.000 0.921 367 T CB -0.448 68.543 68.868 0.205 0.000 1.053 367 T HN 0.717 nan 8.240 nan 0.000 0.533 368 Y N 2.032 122.186 120.300 -0.243 0.000 3.057 368 Y HA -0.241 4.310 4.550 0.001 0.000 0.192 368 Y C -0.381 175.308 175.900 -0.351 0.000 1.448 368 Y CA -0.059 57.809 58.100 -0.387 0.000 1.065 368 Y CB -1.785 36.112 38.460 -0.938 0.000 1.369 368 Y HN 0.460 nan 8.280 nan 0.000 0.460 369 R N 1.237 121.542 120.500 -0.325 0.000 2.621 369 R HA 0.307 4.648 4.340 0.001 0.000 0.292 369 R C -0.888 175.287 176.300 -0.209 0.000 0.969 369 R CA -1.148 54.702 56.100 -0.416 0.000 0.887 369 R CB 1.042 30.815 30.300 -0.878 0.000 1.180 369 R HN 0.157 nan 8.270 nan 0.000 0.450 370 Y N 3.685 123.870 120.300 -0.191 0.000 2.734 370 Y HA 0.121 4.672 4.550 0.001 0.000 0.353 370 Y C -1.002 175.001 175.900 0.173 0.000 1.244 370 Y CA -0.728 57.401 58.100 0.049 0.000 1.950 370 Y CB -0.430 38.108 38.460 0.129 0.000 2.028 370 Y HN 0.369 nan 8.280 nan 0.000 0.421 371 Y N 1.649 122.113 120.300 0.274 0.000 2.323 371 Y HA 0.244 4.795 4.550 0.001 0.000 0.331 371 Y C 0.652 176.632 175.900 0.133 0.000 1.092 371 Y CA -1.529 56.662 58.100 0.151 0.000 1.150 371 Y CB 0.585 39.105 38.460 0.100 0.000 1.200 371 Y HN 0.306 nan 8.280 nan 0.000 0.472 372 N N 2.932 121.755 118.700 0.204 0.000 2.399 372 N HA 0.117 4.858 4.740 0.001 0.000 0.250 372 N C 1.344 176.811 175.510 -0.072 0.000 1.272 372 N CA -0.105 52.973 53.050 0.048 0.000 0.928 372 N CB 0.580 39.008 38.487 -0.099 0.000 1.158 372 N HN 0.679 nan 8.380 nan 0.000 0.463 373 M N 0.416 119.940 119.600 -0.125 0.000 2.088 373 M HA -0.266 4.215 4.480 0.001 0.000 0.256 373 M C 1.551 177.633 176.300 -0.362 0.000 1.071 373 M CA 1.834 56.964 55.300 -0.283 0.000 1.097 373 M CB -0.440 32.011 32.600 -0.247 0.000 1.315 373 M HN 0.614 nan 8.290 nan 0.000 0.406 374 D N -0.050 120.136 120.400 -0.358 0.000 2.158 374 D HA -0.243 4.398 4.640 0.001 0.000 0.197 374 D C 1.664 177.826 176.300 -0.231 0.000 0.995 374 D CA 1.703 55.555 54.000 -0.247 0.000 0.846 374 D CB -0.693 39.853 40.800 -0.423 0.000 0.941 374 D HN 0.545 nan 8.370 nan 0.000 0.456 375 Q N 0.076 119.698 119.800 -0.295 0.000 2.119 375 Q HA -0.039 4.301 4.340 0.001 0.000 0.201 375 Q C 2.624 178.400 176.000 -0.373 0.000 0.972 375 Q CA 0.918 56.469 55.803 -0.420 0.000 0.847 375 Q CB 0.170 28.529 28.738 -0.632 0.000 0.903 375 Q HN 0.219 nan 8.270 nan 0.000 0.433 376 V N 0.086 119.903 119.914 -0.161 0.000 2.453 376 V HA -0.194 3.927 4.120 0.001 0.000 0.247 376 V C 2.168 178.259 176.094 -0.005 0.000 1.048 376 V CA 1.191 63.500 62.300 0.014 0.000 1.049 376 V CB -0.286 31.622 31.823 0.142 0.000 0.672 376 V HN 0.181 nan 8.190 nan 0.000 0.457 377 V N 0.620 120.491 119.914 -0.072 0.000 2.343 377 V HA -0.258 3.863 4.120 0.001 0.000 0.247 377 V C 2.719 178.756 176.094 -0.094 0.000 1.051 377 V CA 2.026 64.299 62.300 -0.046 0.000 1.036 377 V CB -1.232 30.576 31.823 -0.025 0.000 0.654 377 V HN 0.554 nan 8.190 nan 0.000 0.451 378 A N -0.834 121.920 122.820 -0.109 0.000 1.972 378 A HA -0.283 4.038 4.320 0.001 0.000 0.219 378 A C 2.277 179.821 177.584 -0.068 0.000 1.169 378 A CA 2.011 53.986 52.037 -0.102 0.000 0.635 378 A CB -0.468 18.457 19.000 -0.125 0.000 0.810 378 A HN 0.609 nan 8.150 nan 0.000 0.446 379 Q N -0.718 119.048 119.800 -0.056 0.000 2.083 379 Q HA -0.030 4.311 4.340 0.001 0.000 0.198 379 Q C 2.163 178.200 176.000 0.061 0.000 0.969 379 Q CA 1.192 57.014 55.803 0.032 0.000 0.838 379 Q CB -0.271 28.538 28.738 0.119 0.000 0.900 379 Q HN 0.589 nan 8.270 nan 0.000 0.436 380 A N 0.684 123.530 122.820 0.044 0.000 1.969 380 A HA -0.101 4.220 4.320 0.001 0.000 0.218 380 A C 2.001 179.604 177.584 0.032 0.000 1.169 380 A CA 0.785 52.850 52.037 0.047 0.000 0.635 380 A CB -0.496 18.526 19.000 0.037 0.000 0.810 380 A HN 0.424 nan 8.150 nan 0.000 0.445 381 L N -0.902 120.303 121.223 -0.030 0.000 2.027 381 L HA -0.165 4.175 4.340 0.001 0.000 0.206 381 L C 3.148 180.065 176.870 0.079 0.000 1.074 381 L CA 1.014 55.842 54.840 -0.021 0.000 0.745 381 L CB -0.587 41.395 42.059 -0.129 0.000 0.898 381 L HN 0.439 nan 8.230 nan 0.000 0.433 382 A N -0.320 122.529 122.820 0.047 0.000 1.892 382 A HA -0.249 4.072 4.320 0.001 0.000 0.218 382 A C 2.320 179.952 177.584 0.080 0.000 1.188 382 A CA 2.580 54.652 52.037 0.058 0.000 0.631 382 A CB -1.038 17.992 19.000 0.050 0.000 0.822 382 A HN 0.408 nan 8.150 nan 0.000 0.447 383 T N -0.949 113.666 114.554 0.102 0.000 2.833 383 T HA -0.109 4.242 4.350 0.001 0.000 0.269 383 T C 1.562 176.343 174.700 0.136 0.000 1.054 383 T CA 1.445 63.615 62.100 0.117 0.000 1.135 383 T CB -0.363 68.584 68.868 0.131 0.000 0.869 383 T HN 0.486 nan 8.240 nan 0.000 0.466 384 F N 2.166 122.112 119.950 -0.007 0.000 2.102 384 F HA -0.019 4.509 4.527 0.001 0.000 0.298 384 F C 2.416 178.216 175.800 -0.000 0.000 1.105 384 F CA 1.148 59.136 58.000 -0.021 0.000 1.239 384 F CB -0.344 38.633 39.000 -0.039 0.000 0.991 384 F HN -0.094 nan 8.300 nan 0.000 0.474 385 R N 0.076 120.524 120.500 -0.087 0.000 2.094 385 R HA -0.199 4.141 4.340 0.001 0.000 0.239 385 R C 2.498 178.706 176.300 -0.153 0.000 1.137 385 R CA 2.075 58.070 56.100 -0.175 0.000 0.943 385 R CB -0.348 29.933 30.300 -0.031 0.000 0.850 385 R HN 0.277 nan 8.270 nan 0.000 0.433 386 R N 0.061 120.528 120.500 -0.056 0.000 2.097 386 R HA -0.205 4.136 4.340 0.001 0.000 0.236 386 R C 2.284 178.549 176.300 -0.058 0.000 1.135 386 R CA 1.580 57.663 56.100 -0.028 0.000 0.934 386 R CB -0.684 29.632 30.300 0.028 0.000 0.846 386 R HN 0.115 nan 8.270 nan 0.000 0.431 387 L N 1.319 122.508 121.223 -0.056 0.000 1.997 387 L HA -0.251 4.090 4.340 0.001 0.000 0.216 387 L C 2.449 179.252 176.870 -0.112 0.000 1.074 387 L CA 1.800 56.611 54.840 -0.048 0.000 0.763 387 L CB -0.858 41.211 42.059 0.016 0.000 0.890 387 L HN 0.216 nan 8.230 nan 0.000 0.434 388 Q N -0.164 119.473 119.800 -0.272 0.000 2.291 388 Q HA 0.034 4.374 4.340 0.001 0.000 0.206 388 Q C 1.028 176.939 176.000 -0.149 0.000 0.976 388 Q CA 0.831 56.474 55.803 -0.266 0.000 0.875 388 Q CB -0.529 27.906 28.738 -0.505 0.000 0.927 388 Q HN 0.612 nan 8.270 nan 0.000 0.450 389 G N 2.656 111.382 108.800 -0.124 0.000 2.460 389 G HA2 -0.194 3.767 3.960 0.001 0.000 0.259 389 G HA3 -0.194 3.767 3.960 0.001 0.000 0.259 389 G C -0.261 174.604 174.900 -0.058 0.000 0.959 389 G CA 0.568 45.626 45.100 -0.070 0.000 1.330 389 G HN 0.371 nan 8.290 nan 0.000 0.451 390 Q N 0.000 119.766 119.800 -0.056 0.000 2.315 390 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 390 Q CA 0.000 55.762 55.803 -0.068 0.000 1.022 390 Q CB 0.000 28.718 28.738 -0.033 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481