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 3hdq_1_I 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 LQG 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 0.000 174.535 174.600 -0.108 0.000 1.055 27 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 27 S CB 0.000 63.108 63.200 -0.153 0.000 0.593 28 K N 1.346 121.678 120.400 -0.113 0.000 2.402 28 K HA 0.578 4.899 4.320 0.000 0.000 0.204 28 K C 0.517 177.055 176.600 -0.103 0.000 1.056 28 K CA 0.786 57.022 56.287 -0.085 0.000 1.069 28 K CB 0.798 33.270 32.500 -0.047 0.000 0.888 28 K HN 0.959 nan 8.250 nan 0.000 0.546 29 G N -1.048 107.627 108.800 -0.208 0.000 2.336 29 G HA2 0.272 4.232 3.960 0.000 0.000 0.286 29 G HA3 0.272 4.232 3.960 0.000 0.000 0.286 29 G C -1.745 172.914 174.900 -0.403 0.000 1.269 29 G CA -0.966 44.001 45.100 -0.222 0.000 0.873 29 G HN -0.042 nan 8.290 nan 0.000 0.494 30 F N 0.402 120.424 119.950 0.120 0.000 2.551 30 F HA 0.429 4.956 4.527 0.000 0.000 0.316 30 F C 0.869 176.745 175.800 0.127 0.000 1.089 30 F CA -0.786 57.293 58.000 0.132 0.000 0.915 30 F CB 2.470 41.561 39.000 0.151 0.000 1.186 30 F HN 0.397 nan 8.300 nan 0.000 0.456 31 D N 1.087 121.668 120.400 0.301 0.000 2.144 31 D HA -0.124 4.516 4.640 0.000 0.000 0.200 31 D C -0.412 175.873 176.300 -0.025 0.000 0.978 31 D CA 1.868 55.942 54.000 0.123 0.000 0.833 31 D CB 0.143 41.045 40.800 0.170 0.000 0.961 31 D HN 0.325 nan 8.370 nan 0.000 0.470 32 Y N -0.524 119.933 120.300 0.261 0.000 2.457 32 Y HA 0.355 4.905 4.550 0.000 0.000 0.343 32 Y C -0.544 175.363 175.900 0.011 0.000 0.994 32 Y CA -1.224 56.988 58.100 0.186 0.000 1.031 32 Y CB 2.023 40.561 38.460 0.130 0.000 1.246 32 Y HN -0.260 nan 8.280 nan 0.000 0.449 33 L N 5.088 126.300 121.223 -0.018 0.000 2.265 33 L HA 0.630 4.970 4.340 0.000 0.000 0.289 33 L C -1.297 175.438 176.870 -0.226 0.000 1.033 33 L CA -0.348 54.270 54.840 -0.371 0.000 0.814 33 L CB 0.229 41.658 42.059 -1.050 0.000 1.203 33 L HN 0.524 nan 8.230 nan 0.000 0.423 34 I N 5.975 126.429 120.570 -0.194 0.000 2.339 34 I HA 0.355 4.525 4.170 0.000 0.000 0.290 34 I C -0.701 175.294 176.117 -0.202 0.000 0.994 34 I CA -0.900 60.305 61.300 -0.159 0.000 1.191 34 I CB 1.826 39.751 38.000 -0.124 0.000 1.343 34 I HN 0.278 nan 8.210 nan 0.000 0.458 35 V N 5.436 125.216 119.914 -0.224 0.000 2.333 35 V HA 0.766 4.886 4.120 0.000 0.000 0.274 35 V C 0.428 176.356 176.094 -0.275 0.000 1.028 35 V CA -0.472 61.685 62.300 -0.238 0.000 0.851 35 V CB 0.585 32.242 31.823 -0.276 0.000 1.000 35 V HN 1.071 nan 8.190 nan 0.000 0.456 36 G N 4.037 112.699 108.800 -0.230 0.000 3.225 36 G HA2 0.306 4.267 3.960 0.000 0.000 0.686 36 G HA3 0.306 4.267 3.960 0.000 0.000 0.686 36 G C -0.140 174.625 174.900 -0.224 0.000 1.105 36 G CA -0.231 44.723 45.100 -0.243 0.000 0.831 36 G HN 1.493 nan 8.290 nan 0.000 0.578 37 A N 1.686 124.352 122.820 -0.257 0.000 2.713 37 A HA 0.780 5.100 4.320 0.000 0.000 0.296 37 A C 1.440 178.781 177.584 -0.406 0.000 1.255 37 A CA 1.166 53.036 52.037 -0.279 0.000 0.955 37 A CB -0.158 18.676 19.000 -0.276 0.000 1.149 37 A HN 2.148 nan 8.150 nan 0.000 0.538 38 G N -1.233 107.367 108.800 -0.333 0.000 2.516 38 G HA2 0.367 4.327 3.960 0.000 0.000 0.276 38 G HA3 0.367 4.327 3.960 0.000 0.000 0.276 38 G C 0.613 175.442 174.900 -0.119 0.000 1.390 38 G CA -0.412 44.480 45.100 -0.347 0.000 1.050 38 G HN 0.179 nan 8.290 nan 0.000 0.519 39 F N 0.687 120.720 119.950 0.138 0.000 2.095 39 F HA -0.132 4.395 4.527 0.000 0.000 0.298 39 F C 3.072 178.946 175.800 0.124 0.000 1.104 39 F CA 1.902 60.064 58.000 0.271 0.000 1.232 39 F CB -0.253 38.893 39.000 0.243 0.000 0.987 39 F HN 0.355 nan 8.300 nan 0.000 0.475 40 A N 0.297 123.262 122.820 0.242 0.000 1.851 40 A HA -0.145 4.175 4.320 0.000 0.000 0.216 40 A C 2.540 180.151 177.584 0.045 0.000 1.195 40 A CA 2.064 54.177 52.037 0.126 0.000 0.622 40 A CB -1.661 17.383 19.000 0.073 0.000 0.831 40 A HN 0.414 nan 8.150 nan 0.000 0.444 41 G N -1.064 107.723 108.800 -0.021 0.000 2.421 41 G HA2 -0.122 3.838 3.960 0.000 0.000 0.216 41 G HA3 -0.122 3.838 3.960 0.000 0.000 0.216 41 G C 1.831 176.697 174.900 -0.057 0.000 1.171 41 G CA 1.366 46.422 45.100 -0.073 0.000 0.775 41 G HN 0.505 nan 8.290 nan 0.000 0.543 42 S N -0.038 115.649 115.700 -0.023 0.000 2.383 42 S HA -0.068 4.402 4.470 0.000 0.000 0.227 42 S C 2.465 177.052 174.600 -0.021 0.000 1.026 42 S CA 0.971 59.162 58.200 -0.014 0.000 0.981 42 S CB -0.145 63.111 63.200 0.093 0.000 0.818 42 S HN 0.169 nan 8.310 nan 0.000 0.472 43 V N 1.939 121.881 119.914 0.046 0.000 2.358 43 V HA -0.125 3.995 4.120 0.000 0.000 0.246 43 V C 2.177 178.226 176.094 -0.074 0.000 1.047 43 V CA 1.452 63.778 62.300 0.044 0.000 1.035 43 V CB -0.604 31.272 31.823 0.090 0.000 0.658 43 V HN 0.390 nan 8.190 nan 0.000 0.452 44 L N -0.128 121.046 121.223 -0.080 0.000 2.046 44 L HA -0.149 4.191 4.340 0.000 0.000 0.208 44 L C 2.698 179.457 176.870 -0.185 0.000 1.077 44 L CA 1.544 56.301 54.840 -0.138 0.000 0.747 44 L CB -0.703 41.302 42.059 -0.090 0.000 0.896 44 L HN 0.352 nan 8.230 nan 0.000 0.432 45 A N -0.530 122.207 122.820 -0.138 0.000 1.883 45 A HA -0.270 4.050 4.320 0.000 0.000 0.217 45 A C 2.319 179.828 177.584 -0.126 0.000 1.186 45 A CA 1.952 53.915 52.037 -0.123 0.000 0.624 45 A CB -0.564 18.376 19.000 -0.099 0.000 0.822 45 A HN 0.426 nan 8.150 nan 0.000 0.444 46 E N -0.114 120.005 120.200 -0.136 0.000 2.051 46 E HA -0.210 4.140 4.350 0.000 0.000 0.192 46 E C 2.244 178.756 176.600 -0.148 0.000 0.991 46 E CA 1.051 57.378 56.400 -0.121 0.000 0.799 46 E CB -0.229 29.380 29.700 -0.153 0.000 0.748 46 E HN 0.439 nan 8.360 nan 0.000 0.449 47 R N 0.135 120.445 120.500 -0.317 0.000 2.062 47 R HA -0.083 4.257 4.340 0.000 0.000 0.231 47 R C 2.484 178.411 176.300 -0.621 0.000 1.136 47 R CA 0.507 56.159 56.100 -0.747 0.000 0.948 47 R CB -1.005 28.367 30.300 -1.546 0.000 0.845 47 R HN 0.234 nan 8.270 nan 0.000 0.430 48 L N 0.848 121.851 121.223 -0.367 0.000 1.990 48 L HA -0.154 4.186 4.340 0.000 0.000 0.213 48 L C 2.519 179.406 176.870 0.029 0.000 1.072 48 L CA 2.135 56.952 54.840 -0.039 0.000 0.755 48 L CB -1.678 40.282 42.059 -0.164 0.000 0.889 48 L HN 0.173 nan 8.230 nan 0.000 0.432 49 A N -0.592 122.221 122.820 -0.012 0.000 1.933 49 A HA -0.200 4.120 4.320 0.000 0.000 0.218 49 A C 2.463 180.074 177.584 0.045 0.000 1.175 49 A CA 1.991 54.051 52.037 0.038 0.000 0.628 49 A CB -0.720 18.293 19.000 0.022 0.000 0.814 49 A HN 0.572 nan 8.150 nan 0.000 0.444 50 S N 0.049 115.759 115.700 0.017 0.000 2.515 50 S HA -0.055 4.415 4.470 0.000 0.000 0.231 50 S C 1.541 176.189 174.600 0.080 0.000 0.987 50 S CA 1.278 59.504 58.200 0.043 0.000 0.936 50 S CB -0.562 62.659 63.200 0.034 0.000 0.766 50 S HN 0.901 nan 8.310 nan 0.000 0.528 51 S N -0.548 115.221 115.700 0.115 0.000 2.582 51 S HA 0.561 5.031 4.470 0.000 0.000 0.234 51 S C 1.359 176.043 174.600 0.139 0.000 0.961 51 S CA 0.244 58.543 58.200 0.166 0.000 0.953 51 S CB -0.277 63.099 63.200 0.292 0.000 0.800 51 S HN 1.376 nan 8.310 nan 0.000 0.471 52 G N 0.678 109.547 108.800 0.114 0.000 2.194 52 G HA2 -0.211 3.749 3.960 0.000 0.000 0.236 52 G HA3 -0.211 3.749 3.960 0.000 0.000 0.236 52 G C -0.071 174.905 174.900 0.126 0.000 0.987 52 G CA -0.187 44.976 45.100 0.105 0.000 0.635 52 G HN 0.535 nan 8.290 nan 0.000 0.520 53 Q N 0.685 120.584 119.800 0.164 0.000 2.352 53 Q HA 0.369 4.709 4.340 0.000 0.000 0.260 53 Q C 0.450 176.576 176.000 0.210 0.000 0.976 53 Q CA -0.029 55.906 55.803 0.220 0.000 0.881 53 Q CB 0.618 29.549 28.738 0.322 0.000 1.235 53 Q HN 0.323 nan 8.270 nan 0.000 0.419 54 R N 1.413 122.054 120.500 0.235 0.000 2.216 54 R HA 0.356 4.696 4.340 0.000 0.000 0.332 54 R C -0.601 175.950 176.300 0.420 0.000 1.056 54 R CA -0.393 55.875 56.100 0.280 0.000 0.901 54 R CB 0.309 30.730 30.300 0.201 0.000 1.039 54 R HN 0.276 nan 8.270 nan 0.000 0.456 55 V N 5.056 125.181 119.914 0.351 0.000 2.495 55 V HA 0.315 4.435 4.120 0.000 0.000 0.298 55 V C -0.480 175.606 176.094 -0.015 0.000 1.031 55 V CA -0.999 61.424 62.300 0.206 0.000 0.871 55 V CB 1.960 33.837 31.823 0.091 0.000 0.988 55 V HN 0.478 nan 8.190 nan 0.000 0.432 56 L N 6.695 127.685 121.223 -0.387 0.000 2.287 56 L HA 0.673 5.013 4.340 0.000 0.000 0.287 56 L C -0.671 175.982 176.870 -0.361 0.000 1.022 56 L CA 0.100 54.533 54.840 -0.677 0.000 0.814 56 L CB 1.134 42.367 42.059 -1.376 0.000 1.217 56 L HN 0.672 nan 8.230 nan 0.000 0.420 57 I N 5.267 125.688 120.570 -0.250 0.000 2.441 57 I HA 0.638 4.808 4.170 0.000 0.000 0.295 57 I C -1.373 174.631 176.117 -0.189 0.000 0.994 57 I CA -0.626 60.556 61.300 -0.197 0.000 1.144 57 I CB 1.824 39.733 38.000 -0.152 0.000 1.314 57 I HN 0.489 nan 8.210 nan 0.000 0.445 58 V N 7.012 126.816 119.914 -0.183 0.000 2.789 58 V HA 0.592 4.712 4.120 0.000 0.000 0.311 58 V C -1.338 174.664 176.094 -0.154 0.000 1.073 58 V CA -0.334 61.873 62.300 -0.155 0.000 0.921 58 V CB 2.146 33.888 31.823 -0.134 0.000 1.009 58 V HN 0.772 nan 8.190 nan 0.000 0.426 59 D N 3.107 123.414 120.400 -0.154 0.000 2.964 59 D HA 0.318 4.958 4.640 0.000 0.000 0.234 59 D C 0.736 176.941 176.300 -0.158 0.000 1.223 59 D CA -0.540 53.351 54.000 -0.180 0.000 0.889 59 D CB 2.308 42.952 40.800 -0.260 0.000 1.609 59 D HN 0.663 nan 8.370 nan 0.000 0.523 60 R N 2.118 122.540 120.500 -0.130 0.000 2.193 60 R HA 0.043 4.383 4.340 0.000 0.000 0.229 60 R C 0.644 176.857 176.300 -0.146 0.000 1.110 60 R CA 0.447 56.483 56.100 -0.107 0.000 0.988 60 R CB 0.034 30.293 30.300 -0.069 0.000 0.871 60 R HN 0.098 nan 8.270 nan 0.000 0.458 61 R N 1.445 121.803 120.500 -0.236 0.000 2.582 61 R HA 0.120 4.460 4.340 0.000 0.000 0.271 61 R C -1.841 174.251 176.300 -0.347 0.000 1.078 61 R CA -1.906 53.992 56.100 -0.337 0.000 1.127 61 R CB 0.445 30.380 30.300 -0.608 0.000 1.038 61 R HN 0.022 nan 8.270 nan 0.000 0.500 62 P HA 0.011 nan 4.420 nan 0.000 0.253 62 P C -1.126 176.068 177.300 -0.177 0.000 1.281 62 P CA 0.601 63.602 63.100 -0.165 0.000 0.792 62 P CB -0.012 31.652 31.700 -0.061 0.000 1.193 63 H N -1.809 117.084 119.070 -0.294 0.000 3.008 63 H HA 0.562 5.118 4.556 0.000 0.000 0.354 63 H C 0.036 175.132 175.328 -0.387 0.000 1.252 63 H CA -1.467 54.333 56.048 -0.414 0.000 1.117 63 H CB 0.424 29.636 29.762 -0.917 0.000 1.857 63 H HN -0.164 nan 8.280 nan 0.000 0.547 64 I N -1.425 119.058 120.570 -0.144 0.000 3.468 64 I HA 0.633 4.803 4.170 0.000 0.000 0.299 64 I C 1.131 177.095 176.117 -0.256 0.000 1.141 64 I CA -0.164 61.000 61.300 -0.226 0.000 0.950 64 I CB 0.715 38.608 38.000 -0.179 0.000 1.522 64 I HN 1.087 nan 8.210 nan 0.000 0.699 65 G N 0.546 108.885 108.800 -0.769 0.000 2.225 65 G HA2 -0.087 3.873 3.960 0.000 0.000 0.254 65 G HA3 -0.087 3.873 3.960 0.000 0.000 0.254 65 G C 1.004 175.426 174.900 -0.795 0.000 0.988 65 G CA 0.391 44.660 45.100 -1.385 0.000 0.625 65 G HN 2.175 nan 8.290 nan 0.000 0.527 66 G N 0.656 109.184 108.800 -0.453 0.000 2.582 66 G HA2 -0.345 3.615 3.960 0.000 0.000 0.288 66 G HA3 -0.345 3.615 3.960 0.000 0.000 0.288 66 G C 0.816 175.531 174.900 -0.307 0.000 1.247 66 G CA 0.934 45.831 45.100 -0.337 0.000 0.972 66 G HN 1.150 nan 8.290 nan 0.000 0.557 67 N N 0.920 119.436 118.700 -0.307 0.000 2.364 67 N HA 0.080 4.820 4.740 0.000 0.000 0.183 67 N C 2.201 177.460 175.510 -0.418 0.000 1.022 67 N CA 1.802 54.650 53.050 -0.338 0.000 0.883 67 N CB -0.448 38.022 38.487 -0.030 0.000 0.965 67 N HN 0.983 nan 8.380 nan 0.000 0.438 68 A N -0.651 121.932 122.820 -0.395 0.000 2.251 68 A HA 0.007 4.327 4.320 0.000 0.000 0.209 68 A C 0.293 177.631 177.584 -0.410 0.000 1.187 68 A CA -0.444 51.211 52.037 -0.636 0.000 0.823 68 A CB -0.584 18.244 19.000 -0.287 0.000 0.846 68 A HN 0.304 nan 8.150 nan 0.000 0.486 69 Y N 2.679 122.780 120.300 -0.332 0.000 2.810 69 Y HA 0.235 4.785 4.550 0.000 0.000 0.332 69 Y C -0.033 175.731 175.900 -0.227 0.000 1.243 69 Y CA -0.110 57.848 58.100 -0.237 0.000 1.537 69 Y CB 0.245 38.529 38.460 -0.293 0.000 1.265 69 Y HN 0.536 nan 8.280 nan 0.000 0.572 70 D N 4.493 124.480 120.400 -0.688 0.000 2.477 70 D HA 0.609 5.249 4.640 0.000 0.000 0.234 70 D C -1.019 174.720 176.300 -0.935 0.000 1.048 70 D CA -0.531 53.056 54.000 -0.688 0.000 0.959 70 D CB 1.199 41.844 40.800 -0.259 0.000 1.408 70 D HN 0.755 nan 8.370 nan 0.000 0.496 71 C N -1.972 116.912 119.300 -0.694 0.000 3.306 71 C HA 0.666 5.126 4.460 0.000 0.000 0.335 71 C C -1.504 173.232 174.990 -0.423 0.000 1.382 71 C CA -1.149 57.570 59.018 -0.498 0.000 1.254 71 C CB -0.141 27.319 27.740 -0.466 0.000 1.555 71 C HN 0.626 nan 8.230 nan 0.000 0.463 72 Y N 2.246 122.418 120.300 -0.213 0.000 2.313 72 Y HA 0.461 5.011 4.550 0.000 0.000 0.332 72 Y C 1.047 176.848 175.900 -0.165 0.000 1.071 72 Y CA 0.671 58.669 58.100 -0.169 0.000 1.169 72 Y CB 0.874 39.271 38.460 -0.104 0.000 1.192 72 Y HN 0.871 nan 8.280 nan 0.000 0.487 73 D N 0.125 120.483 120.400 -0.071 0.000 2.440 73 D HA 0.009 4.650 4.640 0.000 0.000 0.269 73 D C 0.362 176.647 176.300 -0.025 0.000 1.249 73 D CA -0.285 53.657 54.000 -0.096 0.000 1.055 73 D CB 0.455 41.159 40.800 -0.160 0.000 1.104 73 D HN 0.414 nan 8.370 nan 0.000 0.561 74 D N -0.765 119.614 120.400 -0.036 0.000 2.182 74 D HA -0.090 4.550 4.640 0.000 0.000 0.201 74 D C 1.648 177.957 176.300 0.016 0.000 0.986 74 D CA 1.965 55.960 54.000 -0.008 0.000 0.847 74 D CB -0.436 40.356 40.800 -0.013 0.000 0.942 74 D HN 0.535 nan 8.370 nan 0.000 0.467 75 A N -0.765 122.059 122.820 0.007 0.000 2.218 75 A HA 0.434 4.754 4.320 0.000 0.000 0.209 75 A C 1.718 179.383 177.584 0.134 0.000 1.168 75 A CA 1.063 53.130 52.037 0.050 0.000 0.804 75 A CB 0.024 19.023 19.000 -0.001 0.000 0.834 75 A HN 0.253 nan 8.150 nan 0.000 0.482 76 G N -1.580 107.284 108.800 0.106 0.000 2.134 76 G HA2 -0.152 3.808 3.960 0.000 0.000 0.209 76 G HA3 -0.152 3.808 3.960 0.000 0.000 0.209 76 G C 0.017 175.050 174.900 0.222 0.000 0.993 76 G CA -0.002 45.232 45.100 0.224 0.000 0.669 76 G HN 0.761 nan 8.290 nan 0.000 0.519 77 V N 1.296 121.166 119.914 -0.073 0.000 2.509 77 V HA 0.619 4.739 4.120 0.000 0.000 0.284 77 V C 0.799 176.718 176.094 -0.292 0.000 1.047 77 V CA -0.815 61.352 62.300 -0.223 0.000 0.952 77 V CB 1.664 33.286 31.823 -0.335 0.000 0.988 77 V HN 0.446 nan 8.190 nan 0.000 0.469 78 L N 7.550 128.486 121.223 -0.477 0.000 2.361 78 L HA 0.512 4.852 4.340 0.000 0.000 0.278 78 L C -0.239 176.255 176.870 -0.627 0.000 1.113 78 L CA 0.695 55.057 54.840 -0.796 0.000 0.849 78 L CB -0.028 41.554 42.059 -0.795 0.000 1.155 78 L HN 0.667 nan 8.230 nan 0.000 0.452 79 I N 0.713 120.839 120.570 -0.741 0.000 3.145 79 I HA 0.531 4.701 4.170 0.000 0.000 0.313 79 I C -1.044 174.539 176.117 -0.890 0.000 1.122 79 I CA -0.831 59.718 61.300 -1.252 0.000 0.987 79 I CB 2.161 39.557 38.000 -1.008 0.000 1.236 79 I HN 0.555 nan 8.210 nan 0.000 0.453 80 H N 1.926 120.203 119.070 -1.322 0.000 2.673 80 H HA 0.308 4.865 4.556 0.000 0.000 0.293 80 H C -2.139 172.994 175.328 -0.325 0.000 1.065 80 H CA -1.952 53.798 56.048 -0.497 0.000 1.236 80 H CB 1.235 30.989 29.762 -0.014 0.000 1.389 80 H HN 0.436 nan 8.280 nan 0.000 0.481 81 P HA -0.166 nan 4.420 nan 0.000 0.222 81 P C -0.091 176.755 177.300 -0.756 0.000 1.147 81 P CA 1.311 64.096 63.100 -0.524 0.000 0.790 81 P CB 0.114 31.382 31.700 -0.720 0.000 0.780 82 Y N -0.977 119.064 120.300 -0.432 0.000 2.720 82 Y HA 0.535 5.085 4.550 0.000 0.000 0.277 82 Y C 1.276 176.800 175.900 -0.627 0.000 1.144 82 Y CA -0.135 57.482 58.100 -0.806 0.000 1.221 82 Y CB 0.050 38.335 38.460 -0.291 0.000 1.163 82 Y HN -0.091 nan 8.280 nan 0.000 0.537 83 G N 1.242 109.849 108.800 -0.322 0.000 2.619 83 G HA2 -0.134 3.826 3.960 0.000 0.000 0.686 83 G HA3 -0.134 3.826 3.960 0.000 0.000 0.686 83 G C -3.174 172.060 174.900 0.556 0.000 1.256 83 G CA -1.524 43.698 45.100 0.203 0.000 0.826 83 G HN -0.065 nan 8.290 nan 0.000 0.619 84 P HA 0.233 nan 4.420 nan 0.000 0.270 84 P C -0.722 176.886 177.300 0.514 0.000 1.242 84 P CA 0.411 63.821 63.100 0.517 0.000 0.768 84 P CB 0.281 32.056 31.700 0.125 0.000 0.820 85 H N 3.257 122.689 119.070 0.603 0.000 2.638 85 H HA 0.436 4.993 4.556 0.000 0.000 0.303 85 H C -0.013 175.605 175.328 0.484 0.000 1.034 85 H CA -0.402 55.849 56.048 0.339 0.000 1.225 85 H CB 0.201 29.963 29.762 0.001 0.000 1.394 85 H HN 0.266 nan 8.280 nan 0.000 0.477 86 I N 3.729 124.561 120.570 0.438 0.000 2.330 86 I HA 0.116 4.287 4.170 0.000 0.000 0.289 86 I C -0.251 176.141 176.117 0.458 0.000 1.001 86 I CA -0.520 61.062 61.300 0.471 0.000 1.193 86 I CB 0.458 38.646 38.000 0.314 0.000 1.345 86 I HN 0.407 nan 8.210 nan 0.000 0.461 87 F N 7.578 127.784 119.950 0.427 0.000 2.456 87 F HA 0.473 5.000 4.527 0.000 0.000 0.358 87 F C 0.152 176.047 175.800 0.160 0.000 1.095 87 F CA 0.218 58.390 58.000 0.287 0.000 1.216 87 F CB 0.151 39.407 39.000 0.427 0.000 1.125 87 F HN 0.671 nan 8.300 nan 0.000 0.549 88 H N 1.488 119.865 119.070 -1.155 0.000 3.085 88 H HA 0.585 5.142 4.556 0.000 0.000 0.356 88 H C -1.364 173.428 175.328 -0.894 0.000 1.178 88 H CA -0.961 54.579 56.048 -0.846 0.000 1.214 88 H CB 1.668 30.932 29.762 -0.830 0.000 1.881 88 H HN 0.607 nan 8.280 nan 0.000 0.538 89 T N 1.315 115.588 114.554 -0.467 0.000 2.886 89 T HA 0.238 4.588 4.350 0.000 0.000 0.330 89 T C -0.506 174.195 174.700 0.003 0.000 1.488 89 T CA -0.782 61.145 62.100 -0.288 0.000 1.054 89 T CB 1.271 69.992 68.868 -0.246 0.000 1.348 89 T HN 0.754 nan 8.240 nan 0.000 0.489 90 N N 1.202 119.910 118.700 0.013 0.000 2.299 90 N HA 0.100 4.840 4.740 0.000 0.000 0.187 90 N C 0.294 175.905 175.510 0.169 0.000 1.099 90 N CA 0.121 53.225 53.050 0.089 0.000 0.867 90 N CB 0.694 39.189 38.487 0.015 0.000 0.974 90 N HN 0.491 nan 8.380 nan 0.000 0.477 91 S N 0.958 116.718 115.700 0.100 0.000 2.399 91 S HA 0.152 4.622 4.470 0.000 0.000 0.301 91 S C 1.256 175.855 174.600 -0.003 0.000 1.093 91 S CA -0.574 57.664 58.200 0.064 0.000 1.077 91 S CB 1.078 64.287 63.200 0.016 0.000 0.980 91 S HN 0.117 nan 8.310 nan 0.000 0.494 92 K N 3.731 124.148 120.400 0.028 0.000 2.074 92 K HA -0.173 4.147 4.320 0.000 0.000 0.209 92 K C 0.848 177.419 176.600 -0.049 0.000 1.048 92 K CA 2.121 58.336 56.287 -0.119 0.000 0.926 92 K CB -0.145 32.408 32.500 0.089 0.000 0.713 92 K HN 0.642 nan 8.250 nan 0.000 0.444 93 D N 0.157 120.568 120.400 0.020 0.000 2.117 93 D HA -0.146 4.494 4.640 0.000 0.000 0.197 93 D C 1.976 178.326 176.300 0.084 0.000 0.987 93 D CA 1.093 55.123 54.000 0.049 0.000 0.829 93 D CB -0.242 40.584 40.800 0.043 0.000 0.961 93 D HN 0.051 nan 8.370 nan 0.000 0.460 94 V N 0.673 120.636 119.914 0.081 0.000 2.295 94 V HA -0.221 3.899 4.120 0.000 0.000 0.246 94 V C 2.184 178.408 176.094 0.218 0.000 1.049 94 V CA 1.318 63.712 62.300 0.157 0.000 1.024 94 V CB -0.575 31.333 31.823 0.141 0.000 0.648 94 V HN 0.115 nan 8.190 nan 0.000 0.447 95 F N 1.025 120.944 119.950 -0.051 0.000 2.126 95 F HA -0.213 4.314 4.527 0.000 0.000 0.299 95 F C 2.455 178.241 175.800 -0.024 0.000 1.096 95 F CA 2.122 60.042 58.000 -0.133 0.000 1.255 95 F CB -0.026 38.594 39.000 -0.633 0.000 0.997 95 F HN 0.208 nan 8.300 nan 0.000 0.479 96 E N -1.157 118.997 120.200 -0.076 0.000 2.150 96 E HA -0.246 4.104 4.350 0.000 0.000 0.193 96 E C 1.848 178.409 176.600 -0.065 0.000 0.985 96 E CA 1.188 57.532 56.400 -0.094 0.000 0.814 96 E CB -0.439 29.261 29.700 -0.000 0.000 0.752 96 E HN 0.625 nan 8.360 nan 0.000 0.466 97 Y N 1.271 121.534 120.300 -0.061 0.000 2.114 97 Y HA -0.227 4.323 4.550 0.000 0.000 0.284 97 Y C 1.955 177.859 175.900 0.006 0.000 1.143 97 Y CA 1.142 59.234 58.100 -0.014 0.000 1.135 97 Y CB -0.206 38.289 38.460 0.058 0.000 0.980 97 Y HN -0.032 nan 8.280 nan 0.000 0.499 98 L N -0.005 121.189 121.223 -0.047 0.000 2.131 98 L HA -0.183 4.157 4.340 0.000 0.000 0.210 98 L C 2.518 179.237 176.870 -0.250 0.000 1.092 98 L CA 1.784 56.569 54.840 -0.091 0.000 0.759 98 L CB -1.422 40.675 42.059 0.063 0.000 0.903 98 L HN 0.215 nan 8.230 nan 0.000 0.435 99 S N -0.725 114.820 115.700 -0.258 0.000 2.440 99 S HA -0.177 4.294 4.470 0.000 0.000 0.238 99 S C 1.919 176.262 174.600 -0.428 0.000 1.010 99 S CA 0.819 58.849 58.200 -0.284 0.000 0.972 99 S CB -0.232 62.849 63.200 -0.197 0.000 0.774 99 S HN 0.459 nan 8.310 nan 0.000 0.501 100 R N -0.168 119.956 120.500 -0.625 0.000 2.193 100 R HA -0.027 4.313 4.340 0.000 0.000 0.229 100 R C 0.797 176.486 176.300 -1.019 0.000 1.110 100 R CA 1.133 56.683 56.100 -0.916 0.000 0.988 100 R CB -0.281 29.223 30.300 -1.327 0.000 0.871 100 R HN 0.466 nan 8.270 nan 0.000 0.458 101 F N -1.183 118.530 119.950 -0.396 0.000 2.706 101 F HA 0.273 4.800 4.527 0.000 0.000 0.313 101 F C 0.489 176.048 175.800 -0.402 0.000 1.096 101 F CA -0.303 57.475 58.000 -0.371 0.000 1.219 101 F CB 1.230 39.992 39.000 -0.396 0.000 1.051 101 F HN -0.215 nan 8.300 nan 0.000 0.568 102 T N -0.273 114.041 114.554 -0.400 0.000 2.893 102 T HA 0.238 4.588 4.350 0.000 0.000 0.337 102 T C -1.081 173.197 174.700 -0.703 0.000 1.587 102 T CA -0.655 61.127 62.100 -0.531 0.000 1.066 102 T CB 1.352 69.789 68.868 -0.718 0.000 1.414 102 T HN 0.049 nan 8.240 nan 0.000 0.488 103 E N 1.004 120.867 120.200 -0.560 0.000 2.359 103 E HA 0.509 4.859 4.350 0.000 0.000 0.255 103 E C -0.967 175.249 176.600 -0.640 0.000 1.191 103 E CA -0.657 55.452 56.400 -0.484 0.000 0.952 103 E CB 1.068 30.633 29.700 -0.225 0.000 1.152 103 E HN 0.504 nan 8.360 nan 0.000 0.496 104 W N 0.244 121.504 121.300 -0.065 0.000 2.844 104 W HA 0.383 5.043 4.660 0.000 0.000 0.340 104 W C -0.144 176.380 176.519 0.008 0.000 1.093 104 W CA -0.821 56.523 57.345 -0.001 0.000 1.212 104 W CB 1.279 30.828 29.460 0.148 0.000 1.422 104 W HN 0.155 nan 8.180 nan 0.000 0.515 105 R N 3.314 123.991 120.500 0.294 0.000 2.265 105 R HA 0.412 4.752 4.340 0.000 0.000 0.328 105 R C -2.553 173.925 176.300 0.297 0.000 0.969 105 R CA -1.744 54.484 56.100 0.214 0.000 0.832 105 R CB 0.990 31.358 30.300 0.113 0.000 1.139 105 R HN 0.091 nan 8.270 nan 0.000 0.457 106 P HA -0.021 nan 4.420 nan 0.000 0.265 106 P C -1.677 175.811 177.300 0.313 0.000 1.193 106 P CA 0.341 63.580 63.100 0.232 0.000 0.765 106 P CB 0.194 31.985 31.700 0.152 0.000 0.823 107 Y N 1.649 122.038 120.300 0.149 0.000 2.333 107 Y HA 0.262 4.812 4.550 0.000 0.000 0.319 107 Y C -1.480 174.527 175.900 0.179 0.000 1.200 107 Y CA -0.551 57.648 58.100 0.167 0.000 1.084 107 Y CB 1.581 40.165 38.460 0.206 0.000 1.268 107 Y HN 0.309 nan 8.280 nan 0.000 0.422 108 Q N 5.174 124.754 119.800 -0.367 0.000 2.394 108 Q HA 0.219 4.559 4.340 0.000 0.000 0.259 108 Q C -1.189 174.445 176.000 -0.611 0.000 1.021 108 Q CA -0.970 54.630 55.803 -0.339 0.000 0.805 108 Q CB 1.296 29.949 28.738 -0.140 0.000 1.226 108 Q HN 0.670 nan 8.270 nan 0.000 0.476 109 H N 2.735 121.404 119.070 -0.668 0.000 2.848 109 H HA 0.160 4.716 4.556 0.000 0.000 0.341 109 H C -0.692 174.477 175.328 -0.264 0.000 1.060 109 H CA 0.653 56.407 56.048 -0.490 0.000 1.444 109 H CB 0.488 30.226 29.762 -0.040 0.000 1.446 109 H HN 0.428 nan 8.280 nan 0.000 0.583 110 R N 3.378 123.522 120.500 -0.594 0.000 2.621 110 R HA 0.536 4.876 4.340 0.000 0.000 0.292 110 R C -1.366 174.561 176.300 -0.622 0.000 0.969 110 R CA -1.114 54.697 56.100 -0.482 0.000 0.887 110 R CB 2.201 32.339 30.300 -0.269 0.000 1.180 110 R HN 0.314 nan 8.270 nan 0.000 0.450 111 V N 4.005 123.646 119.914 -0.455 0.000 2.604 111 V HA 0.433 4.553 4.120 0.000 0.000 0.305 111 V C -0.742 175.212 176.094 -0.233 0.000 1.043 111 V CA -0.969 61.088 62.300 -0.405 0.000 0.888 111 V CB 1.925 33.449 31.823 -0.498 0.000 0.995 111 V HN 0.445 nan 8.190 nan 0.000 0.429 112 L N 3.252 124.344 121.223 -0.219 0.000 2.331 112 L HA 0.848 5.188 4.340 0.000 0.000 0.275 112 L C 0.350 177.123 176.870 -0.162 0.000 1.022 112 L CA -0.461 54.285 54.840 -0.158 0.000 0.812 112 L CB 1.621 43.590 42.059 -0.150 0.000 1.257 112 L HN 0.823 nan 8.230 nan 0.000 0.435 113 A N 1.348 124.113 122.820 -0.090 0.000 2.317 113 A HA 0.575 4.896 4.320 0.000 0.000 0.327 113 A C -0.063 177.429 177.584 -0.153 0.000 1.178 113 A CA -0.393 51.582 52.037 -0.104 0.000 0.817 113 A CB 0.950 19.991 19.000 0.068 0.000 1.189 113 A HN 0.615 nan 8.150 nan 0.000 0.489 114 S N 1.636 117.172 115.700 -0.274 0.000 2.405 114 S HA 0.497 4.967 4.470 0.000 0.000 0.291 114 S C -0.608 173.902 174.600 -0.150 0.000 1.137 114 S CA -0.219 57.863 58.200 -0.197 0.000 1.061 114 S CB -0.599 62.464 63.200 -0.228 0.000 1.001 114 S HN 0.712 nan 8.310 nan 0.000 0.507 115 V N 4.977 124.793 119.914 -0.163 0.000 2.733 115 V HA 0.348 4.468 4.120 0.000 0.000 0.306 115 V C -0.492 175.511 176.094 -0.151 0.000 1.084 115 V CA -0.905 61.250 62.300 -0.242 0.000 0.905 115 V CB 1.894 33.406 31.823 -0.518 0.000 1.010 115 V HN 0.850 nan 8.190 nan 0.000 0.424 116 D N 3.559 123.886 120.400 -0.121 0.000 2.737 116 D HA -0.190 4.450 4.640 0.000 0.000 0.233 116 D C 1.334 177.609 176.300 -0.043 0.000 1.155 116 D CA 2.135 56.092 54.000 -0.072 0.000 0.667 116 D CB -1.064 39.693 40.800 -0.071 0.000 1.060 116 D HN 1.598 nan 8.370 nan 0.000 0.427 117 G N -0.879 107.904 108.800 -0.029 0.000 2.148 117 G HA2 -0.349 3.611 3.960 0.000 0.000 0.254 117 G HA3 -0.349 3.611 3.960 0.000 0.000 0.254 117 G C 0.165 175.061 174.900 -0.007 0.000 0.981 117 G CA 0.745 45.843 45.100 -0.002 0.000 0.670 117 G HN 0.533 nan 8.290 nan 0.000 0.528 118 Q N -1.040 118.743 119.800 -0.028 0.000 2.399 118 Q HA 0.749 5.089 4.340 0.000 0.000 0.276 118 Q C 0.009 175.984 176.000 -0.042 0.000 1.098 118 Q CA -0.948 54.838 55.803 -0.029 0.000 0.827 118 Q CB 1.912 30.631 28.738 -0.032 0.000 1.386 118 Q HN 0.235 nan 8.270 nan 0.000 0.443 119 L N 2.633 123.831 121.223 -0.041 0.000 2.264 119 L HA 0.407 4.747 4.340 0.000 0.000 0.287 119 L C -1.186 175.657 176.870 -0.045 0.000 1.039 119 L CA -0.596 54.207 54.840 -0.062 0.000 0.829 119 L CB 0.238 42.254 42.059 -0.071 0.000 1.211 119 L HN 0.285 nan 8.230 nan 0.000 0.427 120 L N 5.725 126.937 121.223 -0.018 0.000 2.342 120 L HA 0.625 4.965 4.340 0.000 0.000 0.271 120 L C -2.218 174.652 176.870 -0.001 0.000 1.008 120 L CA -2.245 52.606 54.840 0.018 0.000 0.818 120 L CB 1.726 43.855 42.059 0.117 0.000 1.296 120 L HN 0.223 nan 8.230 nan 0.000 0.427 121 P HA 0.182 nan 4.420 nan 0.000 0.265 121 P C -0.954 176.275 177.300 -0.118 0.000 1.193 121 P CA 0.176 63.222 63.100 -0.088 0.000 0.765 121 P CB 0.510 32.150 31.700 -0.101 0.000 0.823 122 I N 5.128 125.634 120.570 -0.108 0.000 2.499 122 I HA 0.472 4.642 4.170 0.000 0.000 0.288 122 I C -2.652 173.410 176.117 -0.091 0.000 1.048 122 I CA -3.411 57.806 61.300 -0.138 0.000 1.062 122 I CB 1.994 39.940 38.000 -0.090 0.000 1.238 122 I HN 0.167 nan 8.210 nan 0.000 0.426 123 P HA 0.141 nan 4.420 nan 0.000 0.267 123 P C -0.374 176.787 177.300 -0.232 0.000 1.200 123 P CA 0.158 63.110 63.100 -0.248 0.000 0.772 123 P CB 0.249 31.791 31.700 -0.265 0.000 0.855 124 I N 2.557 122.959 120.570 -0.280 0.000 2.906 124 I HA -0.118 4.052 4.170 0.000 0.000 0.301 124 I C 1.213 177.265 176.117 -0.107 0.000 1.221 124 I CA 0.950 62.083 61.300 -0.278 0.000 1.435 124 I CB -0.415 37.416 38.000 -0.281 0.000 1.345 124 I HN 0.547 nan 8.210 nan 0.000 0.558 125 N N 5.678 124.338 118.700 -0.067 0.000 3.387 125 N HA 0.285 5.025 4.740 0.000 0.000 0.322 125 N C 0.325 175.834 175.510 -0.002 0.000 1.588 125 N CA -0.896 52.148 53.050 -0.011 0.000 0.778 125 N CB 0.553 39.002 38.487 -0.063 0.000 1.883 125 N HN 0.415 nan 8.380 nan 0.000 0.628 126 L N -0.100 121.101 121.223 -0.036 0.000 1.990 126 L HA -0.190 4.150 4.340 0.000 0.000 0.213 126 L C 0.791 177.609 176.870 -0.086 0.000 1.072 126 L CA 2.204 56.995 54.840 -0.081 0.000 0.755 126 L CB -0.438 41.562 42.059 -0.099 0.000 0.889 126 L HN 0.535 nan 8.230 nan 0.000 0.432 127 D N -1.060 119.295 120.400 -0.076 0.000 2.144 127 D HA -0.147 4.493 4.640 0.000 0.000 0.200 127 D C 2.010 178.269 176.300 -0.069 0.000 0.978 127 D CA 1.659 55.616 54.000 -0.072 0.000 0.833 127 D CB -0.256 40.504 40.800 -0.066 0.000 0.961 127 D HN 0.363 nan 8.370 nan 0.000 0.470 128 T N 0.961 115.472 114.554 -0.071 0.000 2.665 128 T HA -0.121 4.229 4.350 0.000 0.000 0.268 128 T C 2.292 176.950 174.700 -0.069 0.000 1.035 128 T CA 1.015 63.074 62.100 -0.069 0.000 1.151 128 T CB -0.391 68.395 68.868 -0.137 0.000 0.862 128 T HN -0.001 nan 8.240 nan 0.000 0.438 129 V N 2.130 122.003 119.914 -0.068 0.000 2.323 129 V HA -0.122 3.998 4.120 0.000 0.000 0.244 129 V C 2.480 178.509 176.094 -0.108 0.000 1.041 129 V CA 1.412 63.663 62.300 -0.083 0.000 1.025 129 V CB -0.597 31.157 31.823 -0.115 0.000 0.656 129 V HN 0.404 nan 8.190 nan 0.000 0.451 130 N N 0.429 119.063 118.700 -0.111 0.000 2.120 130 N HA -0.127 4.613 4.740 0.000 0.000 0.188 130 N C 1.994 177.468 175.510 -0.059 0.000 1.024 130 N CA 1.415 54.412 53.050 -0.088 0.000 0.852 130 N CB -0.308 38.127 38.487 -0.087 0.000 1.003 130 N HN 0.475 nan 8.380 nan 0.000 0.424 131 R N 0.167 120.628 120.500 -0.064 0.000 2.073 131 R HA -0.012 4.328 4.340 0.000 0.000 0.229 131 R C 2.090 178.350 176.300 -0.067 0.000 1.120 131 R CA 0.544 56.613 56.100 -0.052 0.000 0.967 131 R CB -0.515 29.758 30.300 -0.045 0.000 0.862 131 R HN 0.114 nan 8.270 nan 0.000 0.436 132 L N -0.114 121.032 121.223 -0.127 0.000 2.042 132 L HA -0.188 4.152 4.340 0.000 0.000 0.210 132 L C 1.173 177.910 176.870 -0.222 0.000 1.076 132 L CA 1.862 56.560 54.840 -0.237 0.000 0.749 132 L CB -0.183 41.619 42.059 -0.429 0.000 0.893 132 L HN 0.132 nan 8.230 nan 0.000 0.432 133 Y N -0.542 119.755 120.300 -0.004 0.000 2.467 133 Y HA 0.473 5.023 4.550 0.000 0.000 0.250 133 Y C 1.621 177.501 175.900 -0.033 0.000 1.155 133 Y CA -0.360 57.732 58.100 -0.013 0.000 1.249 133 Y CB -0.216 38.221 38.460 -0.038 0.000 1.146 133 Y HN 0.179 nan 8.280 nan 0.000 0.524 134 G N 1.296 110.142 108.800 0.077 0.000 2.246 134 G HA2 -0.276 3.684 3.960 0.000 0.000 0.273 134 G HA3 -0.276 3.684 3.960 0.000 0.000 0.273 134 G C -0.062 174.846 174.900 0.013 0.000 1.055 134 G CA 0.239 45.358 45.100 0.032 0.000 0.851 134 G HN 0.286 nan 8.290 nan 0.000 0.500 135 L N -0.903 120.315 121.223 -0.008 0.000 2.448 135 L HA 0.518 4.858 4.340 0.000 0.000 0.258 135 L C 0.927 177.760 176.870 -0.061 0.000 1.104 135 L CA -0.999 53.808 54.840 -0.055 0.000 0.800 135 L CB 0.696 42.676 42.059 -0.131 0.000 1.241 135 L HN 0.076 nan 8.230 nan 0.000 0.472 136 N N 1.242 119.902 118.700 -0.067 0.000 2.571 136 N HA 0.288 5.029 4.740 0.000 0.000 0.298 136 N C -0.767 174.704 175.510 -0.065 0.000 1.671 136 N CA -0.109 52.907 53.050 -0.057 0.000 0.900 136 N CB 0.828 39.294 38.487 -0.036 0.000 1.365 136 N HN 0.387 nan 8.380 nan 0.000 0.493 137 L N 1.265 122.426 121.223 -0.102 0.000 2.461 137 L HA 0.133 4.473 4.340 0.000 0.000 0.272 137 L C 1.554 178.376 176.870 -0.081 0.000 1.197 137 L CA 0.288 55.066 54.840 -0.103 0.000 0.836 137 L CB 0.332 42.282 42.059 -0.182 0.000 1.105 137 L HN 0.173 nan 8.230 nan 0.000 0.477 138 T N -1.551 112.978 114.554 -0.042 0.000 2.881 138 T HA 0.153 4.503 4.350 0.000 0.000 0.278 138 T C 1.167 175.799 174.700 -0.113 0.000 0.982 138 T CA -0.563 61.512 62.100 -0.041 0.000 0.989 138 T CB 1.535 70.446 68.868 0.072 0.000 1.058 138 T HN 0.529 nan 8.240 nan 0.000 0.529 139 S N 0.205 115.758 115.700 -0.244 0.000 2.374 139 S HA -0.068 4.402 4.470 0.000 0.000 0.227 139 S C 1.543 175.954 174.600 -0.314 0.000 1.037 139 S CA 1.491 59.481 58.200 -0.348 0.000 1.024 139 S CB -0.817 62.062 63.200 -0.536 0.000 0.861 139 S HN 0.666 nan 8.310 nan 0.000 0.456 140 F N 1.609 121.547 119.950 -0.020 0.000 2.134 140 F HA -0.111 4.416 4.527 0.000 0.000 0.299 140 F C 2.642 178.433 175.800 -0.015 0.000 1.097 140 F CA 0.987 58.980 58.000 -0.011 0.000 1.264 140 F CB -0.899 38.095 39.000 -0.010 0.000 1.001 140 F HN 0.210 nan 8.300 nan 0.000 0.479 141 Q N -0.311 119.571 119.800 0.138 0.000 2.167 141 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 141 Q C 2.453 178.450 176.000 -0.004 0.000 0.970 141 Q CA 1.253 57.092 55.803 0.061 0.000 0.855 141 Q CB -0.480 28.276 28.738 0.029 0.000 0.911 141 Q HN 0.341 nan 8.270 nan 0.000 0.438 142 V N 0.873 120.731 119.914 -0.094 0.000 2.626 142 V HA -0.246 3.874 4.120 0.000 0.000 0.252 142 V C 2.023 177.978 176.094 -0.232 0.000 1.067 142 V CA 1.798 63.947 62.300 -0.252 0.000 1.081 142 V CB -0.131 31.482 31.823 -0.351 0.000 0.686 142 V HN 0.380 nan 8.190 nan 0.000 0.468 143 E N -0.003 120.185 120.200 -0.021 0.000 2.051 143 E HA -0.262 4.088 4.350 0.000 0.000 0.192 143 E C 2.083 178.759 176.600 0.127 0.000 0.991 143 E CA 1.851 58.322 56.400 0.118 0.000 0.799 143 E CB -0.118 29.654 29.700 0.121 0.000 0.748 143 E HN 0.799 nan 8.360 nan 0.000 0.449 144 E N -0.228 120.027 120.200 0.093 0.000 2.150 144 E HA -0.170 4.180 4.350 0.000 0.000 0.193 144 E C 1.892 178.542 176.600 0.084 0.000 0.985 144 E CA 0.742 57.192 56.400 0.084 0.000 0.814 144 E CB -0.256 29.487 29.700 0.071 0.000 0.752 144 E HN 0.311 nan 8.360 nan 0.000 0.466 145 F N 1.160 121.060 119.950 -0.083 0.000 2.102 145 F HA -0.207 4.320 4.527 0.000 0.000 0.298 145 F C 1.770 177.562 175.800 -0.013 0.000 1.105 145 F CA 1.251 59.188 58.000 -0.106 0.000 1.239 145 F CB -0.104 38.766 39.000 -0.217 0.000 0.991 145 F HN -0.139 nan 8.300 nan 0.000 0.474 146 F N 1.042 121.041 119.950 0.082 0.000 2.069 146 F HA -0.142 4.385 4.527 0.000 0.000 0.298 146 F C 2.718 178.450 175.800 -0.112 0.000 1.113 146 F CA 1.097 59.078 58.000 -0.031 0.000 1.214 146 F CB -1.722 37.314 39.000 0.060 0.000 0.978 146 F HN 0.082 nan 8.300 nan 0.000 0.474 147 A N -0.413 122.491 122.820 0.139 0.000 2.024 147 A HA -0.211 4.109 4.320 0.000 0.000 0.220 147 A C 2.322 179.888 177.584 -0.030 0.000 1.164 147 A CA 2.092 54.156 52.037 0.044 0.000 0.643 147 A CB -1.095 17.933 19.000 0.048 0.000 0.806 147 A HN 0.427 nan 8.150 nan 0.000 0.451 148 S N -0.715 114.929 115.700 -0.094 0.000 2.527 148 S HA 0.035 4.505 4.470 0.000 0.000 0.222 148 S C 1.382 175.868 174.600 -0.190 0.000 0.985 148 S CA 1.079 59.196 58.200 -0.140 0.000 0.921 148 S CB -0.320 62.785 63.200 -0.158 0.000 0.772 148 S HN 0.982 nan 8.310 nan 0.000 0.529 149 V N -2.182 117.595 119.914 -0.227 0.000 3.635 149 V HA 0.637 4.757 4.120 0.000 0.000 0.266 149 V C 1.092 177.133 176.094 -0.090 0.000 1.316 149 V CA -0.259 61.928 62.300 -0.189 0.000 1.060 149 V CB -0.938 30.716 31.823 -0.282 0.000 0.820 149 V HN 0.539 nan 8.190 nan 0.000 0.447 150 A N 1.071 123.852 122.820 -0.065 0.000 2.507 150 A HA 0.349 4.669 4.320 0.000 0.000 0.235 150 A C 0.251 177.799 177.584 -0.061 0.000 1.070 150 A CA 0.274 52.278 52.037 -0.055 0.000 0.768 150 A CB -0.103 18.870 19.000 -0.045 0.000 1.011 150 A HN 0.665 nan 8.150 nan 0.000 0.502 151 E N 0.740 120.897 120.200 -0.071 0.000 2.195 151 E HA 0.292 4.642 4.350 0.000 0.000 0.271 151 E C -0.761 175.797 176.600 -0.070 0.000 0.923 151 E CA -0.969 55.389 56.400 -0.070 0.000 0.790 151 E CB 1.423 31.073 29.700 -0.084 0.000 1.155 151 E HN 0.448 nan 8.360 nan 0.000 0.402 152 K N 1.720 122.085 120.400 -0.058 0.000 2.234 152 K HA 0.363 4.683 4.320 0.000 0.000 0.282 152 K C -0.756 175.810 176.600 -0.057 0.000 1.039 152 K CA -0.389 55.867 56.287 -0.053 0.000 0.928 152 K CB 1.448 33.924 32.500 -0.041 0.000 1.039 152 K HN 0.215 nan 8.250 nan 0.000 0.470 153 V N 3.505 123.383 119.914 -0.059 0.000 2.577 153 V HA 0.091 4.211 4.120 0.000 0.000 0.303 153 V C 1.177 177.242 176.094 -0.049 0.000 1.042 153 V CA -0.583 61.681 62.300 -0.060 0.000 0.872 153 V CB 1.775 33.552 31.823 -0.076 0.000 0.998 153 V HN 0.739 nan 8.190 nan 0.000 0.423 154 E N 2.359 122.534 120.200 -0.041 0.000 2.051 154 E HA -0.121 4.229 4.350 0.000 0.000 0.192 154 E C 0.554 177.134 176.600 -0.033 0.000 0.991 154 E CA 1.088 57.467 56.400 -0.034 0.000 0.799 154 E CB 0.412 30.094 29.700 -0.029 0.000 0.748 154 E HN 0.623 nan 8.360 nan 0.000 0.449 155 Q N 0.555 120.333 119.800 -0.036 0.000 2.292 155 Q HA 0.266 4.606 4.340 0.000 0.000 0.270 155 Q C -1.512 174.462 176.000 -0.043 0.000 1.024 155 Q CA -0.361 55.421 55.803 -0.035 0.000 0.768 155 Q CB 2.465 31.186 28.738 -0.028 0.000 1.250 155 Q HN -0.102 nan 8.270 nan 0.000 0.447 156 V N 5.120 125.005 119.914 -0.047 0.000 2.415 156 V HA 0.185 4.305 4.120 0.000 0.000 0.267 156 V C 0.810 176.875 176.094 -0.048 0.000 1.042 156 V CA 0.602 62.868 62.300 -0.057 0.000 1.000 156 V CB 0.702 32.486 31.823 -0.065 0.000 1.015 156 V HN 0.798 nan 8.190 nan 0.000 0.478 157 R N 1.882 122.353 120.500 -0.050 0.000 2.444 157 R HA 0.135 4.475 4.340 0.000 0.000 0.201 157 R C 0.977 177.251 176.300 -0.043 0.000 0.861 157 R CA 0.504 56.580 56.100 -0.039 0.000 1.034 157 R CB 0.780 31.061 30.300 -0.031 0.000 1.347 157 R HN 0.756 nan 8.270 nan 0.000 0.659 158 T N -2.543 111.979 114.554 -0.053 0.000 2.923 158 T HA 0.246 4.596 4.350 0.000 0.000 0.281 158 T C 1.045 175.708 174.700 -0.061 0.000 0.995 158 T CA -0.542 61.527 62.100 -0.052 0.000 0.985 158 T CB 1.893 70.734 68.868 -0.045 0.000 1.114 158 T HN -0.200 nan 8.240 nan 0.000 0.548 159 S N -0.627 115.044 115.700 -0.048 0.000 2.453 159 S HA -0.044 4.426 4.470 0.000 0.000 0.231 159 S C 1.788 176.375 174.600 -0.021 0.000 1.005 159 S CA 0.934 59.114 58.200 -0.032 0.000 0.949 159 S CB -0.489 62.706 63.200 -0.009 0.000 0.774 159 S HN 0.829 nan 8.310 nan 0.000 0.510 160 E N 1.057 121.239 120.200 -0.030 0.000 2.028 160 E HA -0.173 4.177 4.350 0.000 0.000 0.191 160 E C 1.272 177.710 176.600 -0.270 0.000 0.988 160 E CA 1.286 57.590 56.400 -0.161 0.000 0.799 160 E CB -0.063 29.541 29.700 -0.161 0.000 0.755 160 E HN 0.311 nan 8.360 nan 0.000 0.447 161 D N 0.523 120.815 120.400 -0.180 0.000 2.126 161 D HA -0.217 4.423 4.640 0.000 0.000 0.190 161 D C 2.144 178.339 176.300 -0.175 0.000 1.001 161 D CA 2.200 56.101 54.000 -0.165 0.000 0.841 161 D CB -0.746 39.988 40.800 -0.111 0.000 0.949 161 D HN 0.327 nan 8.370 nan 0.000 0.446 162 V N -0.844 118.974 119.914 -0.159 0.000 2.392 162 V HA -0.206 3.914 4.120 0.000 0.000 0.249 162 V C 2.285 178.244 176.094 -0.225 0.000 1.059 162 V CA 1.556 63.756 62.300 -0.167 0.000 1.051 162 V CB -0.904 30.831 31.823 -0.148 0.000 0.658 162 V HN 0.071 nan 8.190 nan 0.000 0.455 163 V N -0.561 119.186 119.914 -0.278 0.000 2.331 163 V HA -0.053 4.067 4.120 0.000 0.000 0.242 163 V C 2.666 178.612 176.094 -0.246 0.000 1.034 163 V CA 1.635 63.734 62.300 -0.334 0.000 1.027 163 V CB -0.061 31.511 31.823 -0.418 0.000 0.667 163 V HN 0.387 nan 8.190 nan 0.000 0.457 164 V N 1.407 121.142 119.914 -0.298 0.000 2.469 164 V HA -0.215 3.905 4.120 0.000 0.000 0.251 164 V C 2.588 178.577 176.094 -0.176 0.000 1.064 164 V CA 2.383 64.524 62.300 -0.265 0.000 1.066 164 V CB -0.415 31.166 31.823 -0.405 0.000 0.667 164 V HN 0.765 nan 8.190 nan 0.000 0.461 165 S N -1.717 113.878 115.700 -0.175 0.000 2.603 165 S HA 0.021 4.491 4.470 0.000 0.000 0.220 165 S C 1.572 176.095 174.600 -0.129 0.000 0.967 165 S CA 0.571 58.692 58.200 -0.132 0.000 0.920 165 S CB -0.020 63.108 63.200 -0.119 0.000 0.773 165 S HN 0.659 nan 8.310 nan 0.000 0.529 166 K N 0.330 120.630 120.400 -0.166 0.000 2.380 166 K HA 0.237 4.557 4.320 0.000 0.000 0.200 166 K C 1.309 177.748 176.600 -0.268 0.000 1.201 166 K CA 0.918 57.081 56.287 -0.207 0.000 0.916 166 K CB 0.863 33.211 32.500 -0.255 0.000 1.187 166 K HN 0.350 nan 8.250 nan 0.000 0.498 167 V N -2.833 116.942 119.914 -0.231 0.000 3.398 167 V HA 0.472 4.592 4.120 0.000 0.000 0.298 167 V C 0.417 176.543 176.094 0.053 0.000 1.496 167 V CA 0.104 62.303 62.300 -0.167 0.000 1.044 167 V CB 0.052 31.717 31.823 -0.263 0.000 0.880 167 V HN 0.349 nan 8.190 nan 0.000 0.443 168 G N 1.602 110.401 108.800 -0.003 0.000 2.728 168 G HA2 -0.230 3.730 3.960 0.000 0.000 0.294 168 G HA3 -0.230 3.730 3.960 0.000 0.000 0.294 168 G C 0.143 175.099 174.900 0.093 0.000 1.342 168 G CA 0.485 45.599 45.100 0.023 0.000 0.866 168 G HN 0.666 nan 8.290 nan 0.000 0.534 169 R N -0.211 120.348 120.500 0.098 0.000 2.062 169 R HA 0.071 4.411 4.340 0.000 0.000 0.226 169 R C 2.199 178.665 176.300 0.276 0.000 1.125 169 R CA 2.251 58.450 56.100 0.166 0.000 0.966 169 R CB -0.874 29.486 30.300 0.100 0.000 0.861 169 R HN 0.630 nan 8.270 nan 0.000 0.433 170 D N -0.211 120.330 120.400 0.234 0.000 2.097 170 D HA -0.134 4.506 4.640 0.000 0.000 0.195 170 D C 1.831 178.332 176.300 0.335 0.000 0.989 170 D CA 1.482 55.642 54.000 0.267 0.000 0.827 170 D CB -0.051 40.917 40.800 0.280 0.000 0.966 170 D HN 0.288 nan 8.370 nan 0.000 0.456 171 L N -0.530 120.935 121.223 0.403 0.000 2.093 171 L HA -0.143 4.197 4.340 0.000 0.000 0.208 171 L C 2.310 179.496 176.870 0.527 0.000 1.085 171 L CA 0.933 56.069 54.840 0.494 0.000 0.755 171 L CB -0.640 41.696 42.059 0.462 0.000 0.904 171 L HN 0.194 nan 8.230 nan 0.000 0.435 172 Y N 1.620 122.095 120.300 0.291 0.000 2.097 172 Y HA -0.309 4.241 4.550 0.000 0.000 0.282 172 Y C 2.479 178.559 175.900 0.299 0.000 1.152 172 Y CA 1.886 60.153 58.100 0.277 0.000 1.136 172 Y CB -0.370 38.159 38.460 0.116 0.000 0.975 172 Y HN 0.194 nan 8.280 nan 0.000 0.498 173 N N 0.539 119.325 118.700 0.143 0.000 2.149 173 N HA -0.173 4.567 4.740 0.000 0.000 0.188 173 N C 1.761 177.254 175.510 -0.028 0.000 1.019 173 N CA 1.657 54.695 53.050 -0.019 0.000 0.857 173 N CB -0.357 38.189 38.487 0.099 0.000 0.997 173 N HN 0.398 nan 8.380 nan 0.000 0.426 174 K N -1.103 119.324 120.400 0.045 0.000 2.167 174 K HA 0.111 4.431 4.320 0.000 0.000 0.203 174 K C 0.957 177.338 176.600 -0.366 0.000 1.052 174 K CA 0.812 57.006 56.287 -0.154 0.000 0.956 174 K CB 0.152 32.558 32.500 -0.156 0.000 0.735 174 K HN 0.082 nan 8.250 nan 0.000 0.451 175 F N -2.781 117.162 119.950 -0.011 0.000 2.667 175 F HA 0.216 4.743 4.527 0.000 0.000 0.288 175 F C 1.032 176.631 175.800 -0.334 0.000 1.086 175 F CA -0.134 57.764 58.000 -0.170 0.000 1.297 175 F CB 0.520 39.399 39.000 -0.201 0.000 1.059 175 F HN -0.113 nan 8.300 nan 0.000 0.624 176 F N -0.909 119.074 119.950 0.055 0.000 2.557 176 F HA 0.257 4.784 4.527 0.000 0.000 0.278 176 F C 2.311 178.046 175.800 -0.107 0.000 1.051 176 F CA 0.070 58.069 58.000 -0.003 0.000 1.357 176 F CB -0.365 38.653 39.000 0.030 0.000 1.104 176 F HN -0.393 nan 8.300 nan 0.000 0.654 177 R N 0.860 121.208 120.500 -0.253 0.000 2.088 177 R HA -0.132 4.208 4.340 0.000 0.000 0.232 177 R C 2.407 178.696 176.300 -0.019 0.000 1.136 177 R CA 1.940 57.865 56.100 -0.291 0.000 0.926 177 R CB -1.104 28.912 30.300 -0.474 0.000 0.837 177 R HN 0.378 nan 8.270 nan 0.000 0.429 178 G N -0.519 108.271 108.800 -0.017 0.000 2.440 178 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 178 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 178 G C 1.358 176.307 174.900 0.081 0.000 1.154 178 G CA 1.027 46.141 45.100 0.022 0.000 0.767 178 G HN 0.523 nan 8.290 nan 0.000 0.552 179 Y N 1.548 121.850 120.300 0.002 0.000 2.145 179 Y HA -0.148 4.402 4.550 0.000 0.000 0.286 179 Y C 3.199 179.162 175.900 0.105 0.000 1.145 179 Y CA 2.254 60.374 58.100 0.034 0.000 1.148 179 Y CB -0.211 38.253 38.460 0.006 0.000 0.981 179 Y HN 0.207 nan 8.280 nan 0.000 0.507 180 T N 0.531 115.349 114.554 0.440 0.000 2.708 180 T HA -0.179 4.171 4.350 0.000 0.000 0.266 180 T C 1.836 176.758 174.700 0.369 0.000 1.037 180 T CA 1.740 64.140 62.100 0.501 0.000 1.146 180 T CB -0.243 68.883 68.868 0.431 0.000 0.865 180 T HN 0.325 nan 8.240 nan 0.000 0.435 181 R N 0.772 121.398 120.500 0.210 0.000 2.091 181 R HA -0.067 4.273 4.340 0.000 0.000 0.238 181 R C 2.558 178.911 176.300 0.087 0.000 1.136 181 R CA 1.456 57.643 56.100 0.146 0.000 0.959 181 R CB -0.175 30.178 30.300 0.088 0.000 0.856 181 R HN 0.329 nan 8.270 nan 0.000 0.437 182 K N 0.635 121.043 120.400 0.012 0.000 2.025 182 K HA -0.232 4.088 4.320 0.000 0.000 0.207 182 K C 2.245 178.762 176.600 -0.139 0.000 1.049 182 K CA 1.621 57.861 56.287 -0.077 0.000 0.933 182 K CB 0.054 32.465 32.500 -0.149 0.000 0.714 182 K HN -0.057 nan 8.250 nan 0.000 0.438 183 Q N -0.487 119.183 119.800 -0.217 0.000 2.084 183 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 183 Q C 0.969 176.676 176.000 -0.489 0.000 0.978 183 Q CA 2.026 57.572 55.803 -0.429 0.000 0.844 183 Q CB -0.153 28.270 28.738 -0.524 0.000 0.898 183 Q HN 0.481 nan 8.270 nan 0.000 0.426 184 W N -1.290 119.981 121.300 -0.048 0.000 3.058 184 W HA 0.448 5.108 4.660 0.000 0.000 0.306 184 W C 1.090 177.609 176.519 -0.000 0.000 1.188 184 W CA 0.119 57.448 57.345 -0.027 0.000 1.651 184 W CB 0.366 29.834 29.460 0.013 0.000 1.051 184 W HN 0.265 nan 8.180 nan 0.000 0.592 185 G N 1.166 110.073 108.800 0.178 0.000 2.203 185 G HA2 -0.252 3.708 3.960 0.000 0.000 0.263 185 G HA3 -0.252 3.708 3.960 0.000 0.000 0.263 185 G C -0.613 174.378 174.900 0.151 0.000 1.012 185 G CA 0.191 45.369 45.100 0.129 0.000 0.749 185 G HN 0.096 nan 8.290 nan 0.000 0.512 186 L N 0.039 121.383 121.223 0.201 0.000 2.445 186 L HA 0.533 4.873 4.340 0.000 0.000 0.262 186 L C -0.066 176.892 176.870 0.146 0.000 0.974 186 L CA -1.521 53.412 54.840 0.154 0.000 0.822 186 L CB 1.802 43.945 42.059 0.141 0.000 1.339 186 L HN 0.243 nan 8.230 nan 0.000 0.409 187 D N 3.284 123.750 120.400 0.110 0.000 2.362 187 D HA 0.123 4.763 4.640 0.000 0.000 0.242 187 D C -1.790 174.577 176.300 0.111 0.000 1.132 187 D CA -1.232 52.841 54.000 0.121 0.000 0.907 187 D CB 2.208 43.073 40.800 0.108 0.000 1.195 187 D HN 0.284 nan 8.370 nan 0.000 0.429 188 P HA -0.134 nan 4.420 nan 0.000 0.219 188 P C 1.305 178.650 177.300 0.074 0.000 1.146 188 P CA 1.116 64.302 63.100 0.144 0.000 0.808 188 P CB 0.043 31.933 31.700 0.316 0.000 0.779 189 S N -0.715 115.034 115.700 0.080 0.000 2.474 189 S HA -0.122 4.348 4.470 0.000 0.000 0.235 189 S C 1.464 176.069 174.600 0.007 0.000 0.997 189 S CA 0.931 59.146 58.200 0.025 0.000 0.949 189 S CB -0.951 62.265 63.200 0.026 0.000 0.766 189 S HN 0.275 nan 8.310 nan 0.000 0.517 190 E N 0.285 120.492 120.200 0.012 0.000 2.463 190 E HA 0.355 4.705 4.350 0.000 0.000 0.193 190 E C -0.479 176.097 176.600 -0.041 0.000 1.041 190 E CA -0.091 56.308 56.400 -0.001 0.000 0.879 190 E CB 0.259 29.972 29.700 0.021 0.000 0.997 190 E HN 0.516 nan 8.360 nan 0.000 0.478 191 L N 0.689 121.868 121.223 -0.073 0.000 2.370 191 L HA 0.318 4.658 4.340 0.000 0.000 0.266 191 L C -0.175 176.635 176.870 -0.100 0.000 1.002 191 L CA -1.208 53.547 54.840 -0.142 0.000 0.818 191 L CB 1.917 43.801 42.059 -0.291 0.000 1.325 191 L HN -0.123 nan 8.230 nan 0.000 0.418 192 D N 1.050 121.395 120.400 -0.093 0.000 2.443 192 D HA 0.063 4.703 4.640 0.000 0.000 0.234 192 D C 1.028 177.294 176.300 -0.057 0.000 1.172 192 D CA 0.834 54.800 54.000 -0.056 0.000 0.878 192 D CB 1.372 42.153 40.800 -0.033 0.000 1.204 192 D HN 0.617 nan 8.370 nan 0.000 0.453 193 A N 1.998 124.792 122.820 -0.043 0.000 2.024 193 A HA -0.172 4.148 4.320 0.000 0.000 0.220 193 A C 2.135 179.698 177.584 -0.035 0.000 1.164 193 A CA 2.009 54.018 52.037 -0.046 0.000 0.643 193 A CB -0.967 18.005 19.000 -0.047 0.000 0.806 193 A HN 0.632 nan 8.150 nan 0.000 0.451 194 S N -0.456 115.234 115.700 -0.018 0.000 2.442 194 S HA -0.091 4.379 4.470 0.000 0.000 0.236 194 S C 1.650 176.258 174.600 0.013 0.000 1.007 194 S CA 1.245 59.444 58.200 -0.001 0.000 0.965 194 S CB -0.791 62.422 63.200 0.021 0.000 0.773 194 S HN 0.258 nan 8.310 nan 0.000 0.504 195 V N 3.035 122.961 119.914 0.020 0.000 2.221 195 V HA -0.144 3.976 4.120 0.000 0.000 0.242 195 V C 3.153 179.323 176.094 0.126 0.000 1.041 195 V CA 2.193 64.548 62.300 0.091 0.000 0.995 195 V CB -1.695 30.103 31.823 -0.042 0.000 0.635 195 V HN 0.806 nan 8.190 nan 0.000 0.448 196 T N -0.837 113.775 114.554 0.096 0.000 3.007 196 T HA 0.000 4.351 4.350 0.000 0.000 0.270 196 T C 1.649 176.369 174.700 0.033 0.000 1.107 196 T CA 1.130 63.310 62.100 0.134 0.000 1.118 196 T CB -0.350 68.544 68.868 0.044 0.000 0.889 196 T HN 0.455 nan 8.240 nan 0.000 0.506 197 A N 1.391 124.202 122.820 -0.015 0.000 2.206 197 A HA 0.181 4.501 4.320 0.000 0.000 0.211 197 A C 2.438 180.005 177.584 -0.029 0.000 1.158 197 A CA 0.321 52.329 52.037 -0.049 0.000 0.761 197 A CB -0.575 18.393 19.000 -0.053 0.000 0.801 197 A HN 0.492 nan 8.150 nan 0.000 0.473 198 R N -0.713 119.789 120.500 0.003 0.000 2.120 198 R HA -0.043 4.297 4.340 0.000 0.000 0.234 198 R C -0.184 176.094 176.300 -0.037 0.000 1.123 198 R CA 1.063 57.157 56.100 -0.010 0.000 0.975 198 R CB -0.130 30.169 30.300 -0.002 0.000 0.866 198 R HN 0.307 nan 8.270 nan 0.000 0.446 199 V N 4.069 123.979 119.914 -0.007 0.000 2.259 199 V HA 0.186 4.306 4.120 0.000 0.000 0.267 199 V C -1.981 174.074 176.094 -0.064 0.000 1.051 199 V CA -1.792 60.458 62.300 -0.084 0.000 0.830 199 V CB 0.707 32.539 31.823 0.016 0.000 1.080 199 V HN 0.093 nan 8.190 nan 0.000 0.467 200 P HA 0.150 nan 4.420 nan 0.000 0.268 200 P C 0.080 177.299 177.300 -0.134 0.000 1.205 200 P CA 0.162 63.187 63.100 -0.126 0.000 0.771 200 P CB 0.851 32.474 31.700 -0.127 0.000 0.858 201 T N 1.700 116.164 114.554 -0.150 0.000 2.913 201 T HA 0.542 4.892 4.350 0.000 0.000 0.287 201 T C 0.275 174.895 174.700 -0.134 0.000 1.008 201 T CA -0.835 61.160 62.100 -0.175 0.000 1.067 201 T CB 1.213 69.899 68.868 -0.303 0.000 0.996 201 T HN 0.387 nan 8.240 nan 0.000 0.513 202 R N 0.199 120.655 120.500 -0.073 0.000 2.807 202 R HA 0.535 4.875 4.340 0.000 0.000 0.276 202 R C 0.966 177.339 176.300 0.121 0.000 0.979 202 R CA -0.706 55.386 56.100 -0.012 0.000 0.928 202 R CB 1.682 31.951 30.300 -0.051 0.000 1.191 202 R HN 0.904 nan 8.270 nan 0.000 0.471 203 T N -2.875 111.736 114.554 0.095 0.000 3.022 203 T HA 0.005 4.355 4.350 0.000 0.000 0.250 203 T C 0.713 175.392 174.700 -0.035 0.000 1.060 203 T CA -0.090 62.068 62.100 0.096 0.000 1.013 203 T CB -0.240 68.672 68.868 0.074 0.000 0.982 203 T HN 0.579 nan 8.240 nan 0.000 0.508 204 N N 1.819 120.488 118.700 -0.053 0.000 2.514 204 N HA 0.256 4.996 4.740 0.000 0.000 0.299 204 N C 0.332 175.791 175.510 -0.084 0.000 1.292 204 N CA -0.983 52.010 53.050 -0.094 0.000 0.963 204 N CB 0.371 38.802 38.487 -0.093 0.000 1.124 204 N HN 0.124 nan 8.380 nan 0.000 0.580 205 R N -1.605 118.841 120.500 -0.089 0.000 2.586 205 R HA 0.205 4.545 4.340 0.000 0.000 0.336 205 R C -0.733 175.518 176.300 -0.081 0.000 1.060 205 R CA -0.493 55.558 56.100 -0.082 0.000 1.079 205 R CB -0.161 30.091 30.300 -0.080 0.000 1.317 205 R HN 0.541 nan 8.270 nan 0.000 0.568 206 D N 2.218 122.567 120.400 -0.085 0.000 2.401 206 D HA -0.044 4.596 4.640 0.000 0.000 0.254 206 D C 0.443 176.681 176.300 -0.104 0.000 1.192 206 D CA 0.240 54.186 54.000 -0.091 0.000 0.885 206 D CB 0.761 41.505 40.800 -0.093 0.000 1.147 206 D HN 0.218 nan 8.370 nan 0.000 0.478 207 N N 2.704 121.341 118.700 -0.104 0.000 2.203 207 N HA 0.006 4.746 4.740 0.000 0.000 0.207 207 N C -0.206 175.221 175.510 -0.137 0.000 1.130 207 N CA -0.340 52.639 53.050 -0.117 0.000 0.861 207 N CB 0.137 38.562 38.487 -0.104 0.000 1.005 207 N HN 0.137 nan 8.380 nan 0.000 0.507 208 R N -0.379 120.038 120.500 -0.139 0.000 2.539 208 R HA 0.151 4.491 4.340 0.000 0.000 0.275 208 R C 0.402 176.577 176.300 -0.208 0.000 1.077 208 R CA -0.541 55.464 56.100 -0.157 0.000 1.097 208 R CB 0.381 30.608 30.300 -0.121 0.000 1.018 208 R HN 0.001 nan 8.270 nan 0.000 0.483 209 Y N 0.918 120.937 120.300 -0.469 0.000 2.314 209 Y HA 0.064 4.614 4.550 0.000 0.000 0.293 209 Y C -0.225 175.158 175.900 -0.862 0.000 1.129 209 Y CA 1.081 58.744 58.100 -0.728 0.000 1.201 209 Y CB 0.381 38.250 38.460 -0.984 0.000 0.999 209 Y HN 0.381 nan 8.280 nan 0.000 0.541 210 F N -1.814 118.068 119.950 -0.112 0.000 2.520 210 F HA 0.551 5.078 4.527 0.000 0.000 0.322 210 F C 0.585 176.291 175.800 -0.158 0.000 1.103 210 F CA -0.759 57.114 58.000 -0.211 0.000 0.926 210 F CB 1.540 40.346 39.000 -0.324 0.000 1.154 210 F HN -0.228 nan 8.300 nan 0.000 0.453 211 A N 0.807 123.644 122.820 0.029 0.000 2.379 211 A HA 0.222 4.542 4.320 0.000 0.000 0.236 211 A C -0.170 177.399 177.584 -0.025 0.000 1.272 211 A CA -0.335 51.688 52.037 -0.024 0.000 0.886 211 A CB -0.783 18.184 19.000 -0.055 0.000 0.962 211 A HN 0.696 nan 8.150 nan 0.000 0.504 212 D N 0.148 120.557 120.400 0.015 0.000 2.478 212 D HA 0.127 4.767 4.640 0.000 0.000 0.234 212 D C 1.341 177.569 176.300 -0.120 0.000 1.154 212 D CA 0.731 54.714 54.000 -0.028 0.000 0.874 212 D CB 0.646 41.451 40.800 0.008 0.000 1.198 212 D HN 0.153 nan 8.370 nan 0.000 0.455 213 T N 0.772 115.203 114.554 -0.206 0.000 2.720 213 T HA -0.185 4.165 4.350 0.000 0.000 0.268 213 T C 0.382 174.684 174.700 -0.664 0.000 1.037 213 T CA 1.327 63.150 62.100 -0.462 0.000 1.144 213 T CB -0.264 68.220 68.868 -0.639 0.000 0.864 213 T HN 0.367 nan 8.240 nan 0.000 0.444 214 Y N 1.518 121.645 120.300 -0.288 0.000 2.402 214 Y HA 0.498 5.048 4.550 0.000 0.000 0.332 214 Y C 0.093 175.787 175.900 -0.343 0.000 0.960 214 Y CA -1.002 56.799 58.100 -0.498 0.000 1.228 214 Y CB 0.793 38.764 38.460 -0.815 0.000 1.120 214 Y HN 0.034 nan 8.280 nan 0.000 0.491 215 Q N 2.958 122.674 119.800 -0.140 0.000 2.309 215 Q HA 0.867 5.207 4.340 0.000 0.000 0.270 215 Q C -1.160 174.895 176.000 0.092 0.000 1.023 215 Q CA -0.916 54.894 55.803 0.012 0.000 0.758 215 Q CB 2.399 31.157 28.738 0.034 0.000 1.247 215 Q HN 0.767 nan 8.270 nan 0.000 0.455 216 A N 2.728 125.696 122.820 0.246 0.000 2.597 216 A HA 0.712 5.032 4.320 0.000 0.000 0.292 216 A C -1.629 176.324 177.584 0.615 0.000 1.057 216 A CA -0.748 51.509 52.037 0.366 0.000 0.674 216 A CB 1.497 20.623 19.000 0.211 0.000 1.278 216 A HN 0.516 nan 8.150 nan 0.000 0.416 217 M N 1.288 121.243 119.600 0.592 0.000 2.436 217 M HA 0.416 4.896 4.480 0.000 0.000 0.331 217 M C -2.645 173.815 176.300 0.266 0.000 1.135 217 M CA -2.461 53.091 55.300 0.420 0.000 0.987 217 M CB 1.002 33.727 32.600 0.209 0.000 1.687 217 M HN 0.300 nan 8.290 nan 0.000 0.445 218 P HA -0.037 nan 4.420 nan 0.000 0.261 218 P C 0.865 177.951 177.300 -0.357 0.000 1.183 218 P CA -0.047 62.737 63.100 -0.525 0.000 0.761 218 P CB 0.268 31.569 31.700 -0.664 0.000 0.785 219 L N 4.527 125.510 121.223 -0.400 0.000 2.079 219 L HA -0.162 4.178 4.340 0.000 0.000 0.210 219 L C 1.236 177.796 176.870 -0.517 0.000 1.081 219 L CA 2.073 56.660 54.840 -0.423 0.000 0.752 219 L CB -0.788 40.945 42.059 -0.542 0.000 0.896 219 L HN 0.451 nan 8.230 nan 0.000 0.433 220 H N -0.476 118.504 119.070 -0.150 0.000 2.486 220 H HA 0.548 5.104 4.556 0.000 0.000 0.284 220 H C 0.858 176.109 175.328 -0.128 0.000 1.103 220 H CA 0.329 56.319 56.048 -0.098 0.000 1.089 220 H CB -0.345 29.374 29.762 -0.071 0.000 1.603 220 H HN 0.335 nan 8.280 nan 0.000 0.557 221 G N 0.016 108.724 108.800 -0.154 0.000 2.699 221 G HA2 -0.269 3.691 3.960 0.000 0.000 0.686 221 G HA3 -0.269 3.691 3.960 0.000 0.000 0.686 221 G C 0.164 174.922 174.900 -0.237 0.000 1.301 221 G CA -0.411 44.562 45.100 -0.212 0.000 0.816 221 G HN 0.270 nan 8.290 nan 0.000 0.595 222 Y N 0.329 120.567 120.300 -0.103 0.000 2.200 222 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 222 Y C 3.419 179.332 175.900 0.022 0.000 1.137 222 Y CA 2.364 60.416 58.100 -0.079 0.000 1.163 222 Y CB -0.435 38.031 38.460 0.010 0.000 0.988 222 Y HN 0.649 nan 8.280 nan 0.000 0.518 223 T N 0.175 114.835 114.554 0.178 0.000 2.720 223 T HA -0.184 4.166 4.350 0.000 0.000 0.268 223 T C 1.978 176.749 174.700 0.117 0.000 1.037 223 T CA 1.267 63.477 62.100 0.182 0.000 1.144 223 T CB -0.164 68.722 68.868 0.030 0.000 0.864 223 T HN 0.224 nan 8.240 nan 0.000 0.444 224 R N 0.637 121.157 120.500 0.032 0.000 2.091 224 R HA 0.003 4.343 4.340 0.000 0.000 0.238 224 R C 2.461 178.730 176.300 -0.052 0.000 1.136 224 R CA 1.131 57.230 56.100 -0.002 0.000 0.959 224 R CB -0.774 29.527 30.300 0.001 0.000 0.856 224 R HN 0.458 nan 8.270 nan 0.000 0.437 225 M N -0.192 119.330 119.600 -0.129 0.000 2.086 225 M HA -0.170 4.311 4.480 0.000 0.000 0.261 225 M C 1.810 177.934 176.300 -0.293 0.000 1.067 225 M CA 1.827 56.973 55.300 -0.256 0.000 1.116 225 M CB -0.182 32.173 32.600 -0.408 0.000 1.348 225 M HN -0.012 nan 8.290 nan 0.000 0.407 226 F N 0.681 120.533 119.950 -0.163 0.000 2.171 226 F HA -0.253 4.274 4.527 0.000 0.000 0.300 226 F C 2.550 178.247 175.800 -0.171 0.000 1.090 226 F CA 1.599 59.474 58.000 -0.209 0.000 1.293 226 F CB -0.489 38.397 39.000 -0.190 0.000 1.013 226 F HN 0.281 nan 8.300 nan 0.000 0.486 227 Q N 0.052 119.888 119.800 0.059 0.000 2.061 227 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 227 Q C 1.945 177.929 176.000 -0.027 0.000 0.984 227 Q CA 1.531 57.343 55.803 0.016 0.000 0.846 227 Q CB -0.392 28.358 28.738 0.021 0.000 0.902 227 Q HN 0.392 nan 8.270 nan 0.000 0.421 228 N N 0.634 119.309 118.700 -0.042 0.000 2.120 228 N HA -0.151 4.589 4.740 0.000 0.000 0.188 228 N C 1.655 177.122 175.510 -0.071 0.000 1.024 228 N CA 1.158 54.205 53.050 -0.004 0.000 0.852 228 N CB -0.240 38.283 38.487 0.060 0.000 1.003 228 N HN 0.230 nan 8.380 nan 0.000 0.424 229 M N 0.237 119.635 119.600 -0.336 0.000 2.159 229 M HA -0.053 4.427 4.480 0.000 0.000 0.263 229 M C 1.015 177.115 176.300 -0.333 0.000 1.063 229 M CA 1.330 56.188 55.300 -0.738 0.000 1.110 229 M CB 0.118 32.254 32.600 -0.774 0.000 1.374 229 M HN 0.026 nan 8.290 nan 0.000 0.411 230 L N -0.495 120.631 121.223 -0.162 0.000 2.685 230 L HA 0.108 4.449 4.340 0.000 0.000 0.233 230 L C 1.757 178.599 176.870 -0.046 0.000 1.173 230 L CA -0.095 54.691 54.840 -0.089 0.000 0.961 230 L CB -0.286 41.739 42.059 -0.057 0.000 1.217 230 L HN 0.351 nan 8.230 nan 0.000 0.478 231 S N -2.516 113.163 115.700 -0.034 0.000 2.501 231 S HA -0.019 4.451 4.470 0.000 0.000 0.220 231 S C 1.131 175.736 174.600 0.009 0.000 0.997 231 S CA -0.203 57.994 58.200 -0.006 0.000 0.919 231 S CB 0.046 63.248 63.200 0.004 0.000 0.778 231 S HN 0.317 nan 8.310 nan 0.000 0.523 232 S N 3.088 118.795 115.700 0.012 0.000 2.558 232 S HA 0.133 4.603 4.470 0.000 0.000 0.287 232 S C -1.525 173.093 174.600 0.030 0.000 1.321 232 S CA -0.836 57.379 58.200 0.025 0.000 1.048 232 S CB 0.516 63.733 63.200 0.028 0.000 0.844 232 S HN 0.145 nan 8.310 nan 0.000 0.512 233 P HA -0.017 nan 4.420 nan 0.000 0.220 233 P C 0.544 177.881 177.300 0.062 0.000 1.148 233 P CA 0.833 63.959 63.100 0.043 0.000 0.803 233 P CB 0.003 31.725 31.700 0.037 0.000 0.782 234 N N -0.618 118.123 118.700 0.068 0.000 2.461 234 N HA 0.049 4.789 4.740 0.000 0.000 0.188 234 N C 0.300 175.881 175.510 0.118 0.000 1.134 234 N CA 0.469 53.578 53.050 0.098 0.000 0.878 234 N CB -0.031 38.513 38.487 0.094 0.000 0.972 234 N HN 0.276 nan 8.380 nan 0.000 0.456 235 I N 1.445 122.063 120.570 0.081 0.000 2.355 235 I HA 0.182 4.352 4.170 0.000 0.000 0.288 235 I C -0.330 175.820 176.117 0.055 0.000 0.999 235 I CA -0.756 60.577 61.300 0.055 0.000 1.163 235 I CB 1.123 39.126 38.000 0.004 0.000 1.316 235 I HN -0.391 nan 8.210 nan 0.000 0.454 236 K N 6.112 126.549 120.400 0.061 0.000 2.182 236 K HA 0.603 4.923 4.320 0.000 0.000 0.262 236 K C -0.758 175.811 176.600 -0.052 0.000 0.957 236 K CA -0.749 55.564 56.287 0.042 0.000 0.842 236 K CB 2.571 35.158 32.500 0.145 0.000 1.099 236 K HN 0.235 nan 8.250 nan 0.000 0.438 237 V N 3.637 123.526 119.914 -0.042 0.000 2.384 237 V HA 0.440 4.560 4.120 0.000 0.000 0.287 237 V C -0.194 175.859 176.094 -0.070 0.000 1.020 237 V CA -0.773 61.483 62.300 -0.074 0.000 0.850 237 V CB 1.481 33.266 31.823 -0.062 0.000 0.987 237 V HN 0.725 nan 8.190 nan 0.000 0.436 238 M N 6.222 125.764 119.600 -0.097 0.000 2.181 238 M HA 0.623 5.103 4.480 0.000 0.000 0.323 238 M C -1.573 174.669 176.300 -0.096 0.000 1.004 238 M CA -0.292 54.961 55.300 -0.079 0.000 0.941 238 M CB 1.203 33.757 32.600 -0.077 0.000 1.579 238 M HN 0.547 nan 8.290 nan 0.000 0.427 239 L N 3.092 124.265 121.223 -0.085 0.000 2.304 239 L HA 0.517 4.857 4.340 0.000 0.000 0.268 239 L C 0.700 177.516 176.870 -0.090 0.000 1.010 239 L CA -0.888 53.886 54.840 -0.110 0.000 0.813 239 L CB 1.420 43.412 42.059 -0.112 0.000 1.315 239 L HN 0.928 nan 8.230 nan 0.000 0.445 240 N N -0.052 118.582 118.700 -0.110 0.000 2.725 240 N HA -0.166 4.574 4.740 0.000 0.000 0.249 240 N C -1.000 174.469 175.510 -0.067 0.000 1.103 240 N CA 1.003 54.003 53.050 -0.084 0.000 0.707 240 N CB -0.625 37.828 38.487 -0.057 0.000 1.043 240 N HN 0.732 nan 8.380 nan 0.000 0.553 241 T N 0.295 114.802 114.554 -0.078 0.000 2.890 241 T HA 0.138 4.488 4.350 0.000 0.000 0.295 241 T C -1.057 173.606 174.700 -0.061 0.000 0.993 241 T CA -0.745 61.316 62.100 -0.063 0.000 0.979 241 T CB 1.578 70.410 68.868 -0.059 0.000 0.967 241 T HN 0.108 nan 8.240 nan 0.000 0.441 242 D N 2.023 122.383 120.400 -0.067 0.000 2.348 242 D HA 0.043 4.683 4.640 0.000 0.000 0.253 242 D C 1.247 177.482 176.300 -0.108 0.000 1.161 242 D CA -0.417 53.539 54.000 -0.074 0.000 0.876 242 D CB 0.747 41.472 40.800 -0.124 0.000 1.160 242 D HN 0.711 nan 8.370 nan 0.000 0.459 243 Y N 3.788 124.028 120.300 -0.100 0.000 2.298 243 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 243 Y C 1.857 177.667 175.900 -0.150 0.000 1.164 243 Y CA 1.054 59.074 58.100 -0.133 0.000 1.229 243 Y CB -0.266 38.130 38.460 -0.106 0.000 0.977 243 Y HN 0.303 nan 8.280 nan 0.000 0.538 244 R N 0.757 120.715 120.500 -0.904 0.000 2.189 244 R HA -0.073 4.267 4.340 0.000 0.000 0.218 244 R C 1.814 177.883 176.300 -0.386 0.000 1.074 244 R CA 1.318 56.977 56.100 -0.735 0.000 0.991 244 R CB -0.211 29.629 30.300 -0.767 0.000 0.883 244 R HN 0.613 nan 8.270 nan 0.000 0.457 245 E N 0.408 120.428 120.200 -0.300 0.000 2.274 245 E HA -0.125 4.225 4.350 0.000 0.000 0.194 245 E C 1.164 177.573 176.600 -0.318 0.000 0.996 245 E CA 0.968 57.242 56.400 -0.210 0.000 0.840 245 E CB 0.166 29.796 29.700 -0.117 0.000 0.772 245 E HN 0.423 nan 8.360 nan 0.000 0.491 246 I N -4.203 116.133 120.570 -0.389 0.000 4.240 246 I HA 0.370 4.540 4.170 0.000 0.000 0.331 246 I C 1.749 177.516 176.117 -0.583 0.000 1.381 246 I CA -0.141 60.761 61.300 -0.664 0.000 1.136 246 I CB 0.574 38.409 38.000 -0.274 0.000 1.137 246 I HN -0.159 nan 8.210 nan 0.000 0.411 247 A N 1.074 123.707 122.820 -0.313 0.000 1.969 247 A HA -0.112 4.209 4.320 0.000 0.000 0.218 247 A C 1.795 179.364 177.584 -0.025 0.000 1.169 247 A CA 1.864 53.880 52.037 -0.035 0.000 0.635 247 A CB -0.628 18.408 19.000 0.061 0.000 0.810 247 A HN 0.428 nan 8.150 nan 0.000 0.445 248 D N -0.706 119.566 120.400 -0.215 0.000 2.219 248 D HA -0.062 4.578 4.640 0.000 0.000 0.205 248 D C 1.058 177.367 176.300 0.016 0.000 0.970 248 D CA 1.425 55.370 54.000 -0.093 0.000 0.851 248 D CB -0.182 40.580 40.800 -0.064 0.000 0.943 248 D HN 0.770 nan 8.370 nan 0.000 0.488 249 F N -1.566 118.438 119.950 0.089 0.000 2.825 249 F HA 0.420 4.947 4.527 0.000 0.000 0.322 249 F C 0.004 175.875 175.800 0.119 0.000 1.127 249 F CA -0.669 57.379 58.000 0.080 0.000 1.164 249 F CB 0.183 39.213 39.000 0.050 0.000 1.101 249 F HN -0.322 nan 8.300 nan 0.000 0.529 250 I N 3.312 124.061 120.570 0.298 0.000 2.378 250 I HA 0.409 4.579 4.170 0.000 0.000 0.291 250 I C -2.448 173.912 176.117 0.404 0.000 0.992 250 I CA -2.276 59.252 61.300 0.379 0.000 1.154 250 I CB 1.888 40.096 38.000 0.347 0.000 1.315 250 I HN -0.163 nan 8.210 nan 0.000 0.448 251 P HA 0.275 nan 4.420 nan 0.000 0.276 251 P C -1.177 176.350 177.300 0.379 0.000 1.243 251 P CA 0.067 63.297 63.100 0.216 0.000 0.768 251 P CB 0.201 31.974 31.700 0.121 0.000 0.856 252 F N -0.277 119.741 119.950 0.114 0.000 2.650 252 F HA 0.444 4.971 4.527 0.000 0.000 0.310 252 F C 0.692 176.512 175.800 0.032 0.000 1.112 252 F CA -0.903 57.162 58.000 0.108 0.000 0.986 252 F CB 1.116 40.188 39.000 0.119 0.000 1.285 252 F HN 0.106 nan 8.300 nan 0.000 0.440 253 Q N 0.397 120.247 119.800 0.084 0.000 2.089 253 Q HA 0.035 4.375 4.340 0.000 0.000 0.195 253 Q C -0.384 175.644 176.000 0.046 0.000 0.963 253 Q CA 1.346 57.131 55.803 -0.030 0.000 0.834 253 Q CB 0.142 28.844 28.738 -0.060 0.000 0.906 253 Q HN 0.760 nan 8.270 nan 0.000 0.452 254 H N -1.081 117.994 119.070 0.008 0.000 2.768 254 H HA 0.504 5.060 4.556 0.000 0.000 0.371 254 H C -1.528 173.964 175.328 0.275 0.000 1.151 254 H CA -0.665 55.417 56.048 0.058 0.000 1.165 254 H CB 1.525 31.179 29.762 -0.181 0.000 1.722 254 H HN -0.027 nan 8.280 nan 0.000 0.543 255 M N 5.742 125.298 119.600 -0.074 0.000 2.311 255 M HA 0.471 4.952 4.480 0.000 0.000 0.325 255 M C -1.676 174.620 176.300 -0.007 0.000 1.061 255 M CA -0.646 54.647 55.300 -0.011 0.000 0.957 255 M CB 0.911 33.480 32.600 -0.052 0.000 1.646 255 M HN 0.561 nan 8.290 nan 0.000 0.434 256 I N 5.142 125.737 120.570 0.041 0.000 2.330 256 I HA 0.270 4.440 4.170 0.000 0.000 0.289 256 I C -1.531 174.486 176.117 -0.168 0.000 1.001 256 I CA -0.743 60.543 61.300 -0.024 0.000 1.193 256 I CB 1.223 39.240 38.000 0.029 0.000 1.345 256 I HN 0.650 nan 8.210 nan 0.000 0.461 257 Y N 5.682 125.698 120.300 -0.473 0.000 2.341 257 Y HA 0.321 4.871 4.550 0.000 0.000 0.337 257 Y C 0.941 176.641 175.900 -0.334 0.000 1.014 257 Y CA -0.578 57.196 58.100 -0.544 0.000 1.111 257 Y CB 1.689 39.578 38.460 -0.952 0.000 1.194 257 Y HN 0.619 nan 8.280 nan 0.000 0.462 258 T N 1.135 115.231 114.554 -0.764 0.000 3.091 258 T HA 0.403 4.753 4.350 0.000 0.000 0.277 258 T C 0.682 175.007 174.700 -0.625 0.000 0.996 258 T CA 0.145 61.947 62.100 -0.497 0.000 0.897 258 T CB -0.391 68.321 68.868 -0.261 0.000 1.109 258 T HN 0.749 nan 8.240 nan 0.000 0.534 259 G N 2.356 110.363 108.800 -1.322 0.000 2.535 259 G HA2 0.572 4.533 3.960 0.000 0.000 0.282 259 G HA3 0.572 4.533 3.960 0.000 0.000 0.282 259 G C -2.767 171.993 174.900 -0.233 0.000 1.350 259 G CA -1.691 42.953 45.100 -0.761 0.000 1.039 259 G HN 0.190 nan 8.290 nan 0.000 0.509 260 P HA 0.089 nan 4.420 nan 0.000 0.268 260 P C 1.280 178.806 177.300 0.377 0.000 1.204 260 P CA -0.265 62.889 63.100 0.089 0.000 0.768 260 P CB 0.958 32.584 31.700 -0.123 0.000 0.842 261 V N 1.636 121.797 119.914 0.411 0.000 2.307 261 V HA -0.236 3.884 4.120 0.000 0.000 0.245 261 V C 1.938 178.076 176.094 0.073 0.000 1.045 261 V CA 2.218 64.734 62.300 0.361 0.000 1.024 261 V CB -1.608 30.421 31.823 0.344 0.000 0.651 261 V HN 0.470 nan 8.190 nan 0.000 0.449 262 D N 2.590 122.869 120.400 -0.201 0.000 2.123 262 D HA -0.210 4.430 4.640 0.000 0.000 0.196 262 D C 2.047 178.012 176.300 -0.559 0.000 0.992 262 D CA 2.102 55.717 54.000 -0.641 0.000 0.833 262 D CB -0.649 39.959 40.800 -0.320 0.000 0.954 262 D HN 0.532 nan 8.370 nan 0.000 0.455 263 A N 0.050 122.525 122.820 -0.576 0.000 1.933 263 A HA -0.077 4.243 4.320 0.000 0.000 0.218 263 A C 2.145 179.460 177.584 -0.448 0.000 1.175 263 A CA 1.190 52.694 52.037 -0.889 0.000 0.628 263 A CB -1.303 17.483 19.000 -0.357 0.000 0.814 263 A HN 0.272 nan 8.150 nan 0.000 0.444 264 F N -0.599 119.115 119.950 -0.394 0.000 2.202 264 F HA -0.108 4.420 4.527 0.000 0.000 0.301 264 F C 0.872 176.278 175.800 -0.656 0.000 1.082 264 F CA 1.286 58.920 58.000 -0.610 0.000 1.313 264 F CB -0.086 38.365 39.000 -0.914 0.000 1.024 264 F HN 0.191 nan 8.300 nan 0.000 0.495 265 F N 0.932 120.875 119.950 -0.011 0.000 2.837 265 F HA 0.202 4.729 4.527 0.000 0.000 0.298 265 F C 0.246 175.985 175.800 -0.103 0.000 1.161 265 F CA -0.611 57.383 58.000 -0.009 0.000 1.353 265 F CB -0.576 38.537 39.000 0.188 0.000 0.951 265 F HN -0.131 nan 8.300 nan 0.000 0.508 266 D N -0.140 120.163 120.400 -0.162 0.000 2.792 266 D HA -0.301 4.339 4.640 0.000 0.000 0.231 266 D C 0.210 176.570 176.300 0.101 0.000 1.160 266 D CA 0.957 54.894 54.000 -0.106 0.000 0.697 266 D CB -1.852 38.949 40.800 0.001 0.000 1.070 266 D HN 0.445 nan 8.370 nan 0.000 0.426 267 F N -3.115 116.942 119.950 0.178 0.000 3.100 267 F HA -0.382 4.145 4.527 0.000 0.000 0.283 267 F C 2.368 178.299 175.800 0.219 0.000 0.900 267 F CA 0.536 58.674 58.000 0.230 0.000 1.010 267 F CB -2.700 36.389 39.000 0.148 0.000 1.029 267 F HN 0.460 nan 8.300 nan 0.000 0.637 268 C N -2.566 116.876 119.300 0.236 0.000 2.419 268 C HA -0.156 4.304 4.460 0.000 0.000 0.281 268 C C 2.005 176.898 174.990 -0.162 0.000 1.336 268 C CA 1.039 60.018 59.018 -0.065 0.000 1.770 268 C CB -1.252 26.302 27.740 -0.311 0.000 1.929 268 C HN 0.534 nan 8.230 nan 0.000 0.509 269 Y N 2.445 122.809 120.300 0.106 0.000 2.524 269 Y HA 0.487 5.038 4.550 0.000 0.000 0.266 269 Y C 1.481 177.457 175.900 0.126 0.000 1.180 269 Y CA -0.002 58.072 58.100 -0.044 0.000 1.244 269 Y CB -0.648 37.552 38.460 -0.433 0.000 1.125 269 Y HN 0.703 nan 8.280 nan 0.000 0.524 270 G N 0.540 109.569 108.800 0.382 0.000 2.662 270 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 270 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 270 G C -0.960 174.204 174.900 0.438 0.000 1.271 270 G CA -1.257 44.039 45.100 0.327 0.000 0.816 270 G HN 0.122 nan 8.290 nan 0.000 0.608 271 K N 0.039 120.618 120.400 0.298 0.000 2.447 271 K HA 0.384 4.704 4.320 0.000 0.000 0.281 271 K C 0.738 177.519 176.600 0.302 0.000 1.031 271 K CA -0.215 56.259 56.287 0.311 0.000 1.019 271 K CB 0.344 32.921 32.500 0.128 0.000 0.918 271 K HN 0.571 nan 8.250 nan 0.000 0.476 272 L N 7.843 129.256 121.223 0.316 0.000 2.313 272 L HA 0.319 4.659 4.340 0.000 0.000 0.282 272 L C -2.070 174.881 176.870 0.135 0.000 1.092 272 L CA -2.155 52.771 54.840 0.143 0.000 0.831 272 L CB 1.147 43.181 42.059 -0.043 0.000 1.159 272 L HN 0.611 nan 8.230 nan 0.000 0.442 273 P HA 0.116 nan 4.420 nan 0.000 0.267 273 P C -1.587 175.783 177.300 0.117 0.000 1.209 273 P CA 0.451 63.650 63.100 0.166 0.000 0.763 273 P CB 0.234 32.033 31.700 0.165 0.000 0.816 274 Y N 1.826 122.284 120.300 0.263 0.000 2.446 274 Y HA 0.561 5.111 4.550 0.000 0.000 0.345 274 Y C 0.823 176.830 175.900 0.178 0.000 0.984 274 Y CA -0.993 57.251 58.100 0.239 0.000 1.058 274 Y CB 1.821 40.396 38.460 0.191 0.000 1.220 274 Y HN 0.153 nan 8.280 nan 0.000 0.455 275 R N 1.026 121.735 120.500 0.348 0.000 2.457 275 R HA 0.620 4.960 4.340 0.000 0.000 0.284 275 R C -0.330 176.110 176.300 0.235 0.000 1.024 275 R CA -0.161 56.060 56.100 0.202 0.000 1.025 275 R CB 1.406 31.712 30.300 0.010 0.000 1.063 275 R HN 0.719 nan 8.270 nan 0.000 0.493 276 S N 2.104 117.885 115.700 0.134 0.000 2.801 276 S HA 0.791 5.261 4.470 0.000 0.000 0.312 276 S C -1.350 173.391 174.600 0.234 0.000 1.112 276 S CA -0.705 57.577 58.200 0.137 0.000 0.943 276 S CB 0.620 63.806 63.200 -0.023 0.000 1.269 276 S HN 0.398 nan 8.310 nan 0.000 0.558 277 L N 1.087 122.480 121.223 0.284 0.000 2.506 277 L HA 0.522 4.862 4.340 0.000 0.000 0.257 277 L C -1.029 175.752 176.870 -0.148 0.000 0.964 277 L CA -0.509 54.349 54.840 0.030 0.000 0.836 277 L CB 2.233 44.230 42.059 -0.102 0.000 1.384 277 L HN 0.664 nan 8.230 nan 0.000 0.410 278 E N 1.581 121.625 120.200 -0.259 0.000 2.199 278 E HA 0.554 4.904 4.350 0.000 0.000 0.269 278 E C -1.847 174.560 176.600 -0.323 0.000 0.899 278 E CA -0.592 55.691 56.400 -0.194 0.000 0.772 278 E CB 1.650 31.326 29.700 -0.041 0.000 1.155 278 E HN 0.341 nan 8.360 nan 0.000 0.408 279 F N 2.747 122.812 119.950 0.192 0.000 2.444 279 F HA 0.403 4.930 4.527 0.000 0.000 0.342 279 F C 0.464 176.308 175.800 0.074 0.000 1.121 279 F CA -0.924 57.139 58.000 0.105 0.000 0.997 279 F CB 1.454 40.474 39.000 0.033 0.000 1.130 279 F HN 0.283 nan 8.300 nan 0.000 0.454 280 R N 3.780 124.429 120.500 0.249 0.000 2.247 280 R HA 0.288 4.628 4.340 0.000 0.000 0.329 280 R C -0.854 175.531 176.300 0.142 0.000 1.014 280 R CA -0.430 55.793 56.100 0.205 0.000 0.907 280 R CB 0.167 30.613 30.300 0.245 0.000 1.146 280 R HN 0.662 nan 8.270 nan 0.000 0.499 281 H N 2.829 122.023 119.070 0.206 0.000 2.525 281 H HA 0.273 4.829 4.556 0.000 0.000 0.339 281 H C -0.466 174.926 175.328 0.106 0.000 1.109 281 H CA -0.095 56.048 56.048 0.159 0.000 1.352 281 H CB 1.608 31.428 29.762 0.097 0.000 1.461 281 H HN 0.591 nan 8.280 nan 0.000 0.533 282 E N 0.968 121.286 120.200 0.197 0.000 2.331 282 E HA 0.285 4.635 4.350 0.000 0.000 0.275 282 E C -0.959 175.605 176.600 -0.059 0.000 0.895 282 E CA -0.747 55.673 56.400 0.033 0.000 0.753 282 E CB 2.394 32.115 29.700 0.035 0.000 1.216 282 E HN 0.424 nan 8.360 nan 0.000 0.434 283 T N 1.419 115.858 114.554 -0.193 0.000 2.855 283 T HA 0.476 4.826 4.350 0.000 0.000 0.281 283 T C -1.074 173.412 174.700 -0.357 0.000 1.007 283 T CA -0.622 61.373 62.100 -0.175 0.000 1.009 283 T CB 0.691 69.500 68.868 -0.098 0.000 0.983 283 T HN 0.341 nan 8.240 nan 0.000 0.455 284 H N 0.276 119.345 119.070 -0.001 0.000 2.690 284 H HA 0.371 4.927 4.556 0.000 0.000 0.368 284 H C -0.678 174.640 175.328 -0.017 0.000 1.150 284 H CA -0.764 55.285 56.048 0.003 0.000 1.174 284 H CB 1.344 31.114 29.762 0.014 0.000 1.684 284 H HN 0.456 nan 8.280 nan 0.000 0.538 285 D N 1.847 122.323 120.400 0.128 0.000 2.845 285 D HA 0.153 4.793 4.640 0.000 0.000 0.235 285 D C -0.695 175.648 176.300 0.071 0.000 1.158 285 D CA -0.028 54.010 54.000 0.063 0.000 0.990 285 D CB -0.353 40.489 40.800 0.069 0.000 1.094 285 D HN 0.618 nan 8.370 nan 0.000 0.486 286 T N -2.345 112.246 114.554 0.062 0.000 2.762 286 T HA 0.296 4.646 4.350 0.000 0.000 0.301 286 T C 0.882 175.605 174.700 0.039 0.000 1.299 286 T CA -0.821 61.309 62.100 0.049 0.000 1.005 286 T CB 1.343 70.233 68.868 0.036 0.000 1.377 286 T HN -0.040 nan 8.240 nan 0.000 0.504 287 E N -0.125 120.098 120.200 0.038 0.000 2.230 287 E HA 0.034 4.384 4.350 0.000 0.000 0.192 287 E C 0.493 177.091 176.600 -0.003 0.000 0.987 287 E CA 0.541 56.959 56.400 0.030 0.000 0.841 287 E CB 0.396 30.118 29.700 0.036 0.000 0.783 287 E HN 0.513 nan 8.360 nan 0.000 0.481 288 Q N 0.386 120.186 119.800 0.001 0.000 2.268 288 Q HA 0.181 4.522 4.340 0.000 0.000 0.266 288 Q C -0.533 175.475 176.000 0.013 0.000 1.006 288 Q CA -0.221 55.578 55.803 -0.006 0.000 0.824 288 Q CB 1.749 30.479 28.738 -0.013 0.000 1.306 288 Q HN 0.091 nan 8.270 nan 0.000 0.424 289 L N 4.040 125.274 121.223 0.019 0.000 2.316 289 L HA 0.399 4.739 4.340 0.000 0.000 0.207 289 L C -0.583 176.290 176.870 0.005 0.000 1.070 289 L CA 0.911 55.737 54.840 -0.023 0.000 0.820 289 L CB 0.635 42.645 42.059 -0.081 0.000 0.992 289 L HN 0.598 nan 8.230 nan 0.000 0.466 290 L N -0.568 120.698 121.223 0.072 0.000 2.319 290 L HA 0.410 4.750 4.340 0.000 0.000 0.267 290 L C -1.683 175.222 176.870 0.059 0.000 1.011 290 L CA -1.802 53.051 54.840 0.021 0.000 0.818 290 L CB 0.889 42.900 42.059 -0.080 0.000 1.316 290 L HN -0.244 nan 8.230 nan 0.000 0.432 291 P HA 0.001 nan 4.420 nan 0.000 0.227 291 P C 0.019 177.226 177.300 -0.156 0.000 1.161 291 P CA 0.767 63.847 63.100 -0.033 0.000 0.788 291 P CB 0.234 31.903 31.700 -0.052 0.000 0.822 292 T N -6.185 108.127 114.554 -0.404 0.000 2.778 292 T HA 0.537 4.887 4.350 0.000 0.000 0.293 292 T C 1.359 175.537 174.700 -0.870 0.000 1.144 292 T CA -0.232 61.499 62.100 -0.615 0.000 1.010 292 T CB 0.944 69.601 68.868 -0.353 0.000 1.325 292 T HN -0.097 nan 8.240 nan 0.000 0.515 293 G N 0.342 108.818 108.800 -0.540 0.000 2.440 293 G HA2 0.201 4.161 3.960 0.000 0.000 0.218 293 G HA3 0.201 4.161 3.960 0.000 0.000 0.218 293 G C 0.330 175.152 174.900 -0.130 0.000 1.154 293 G CA 0.953 45.959 45.100 -0.156 0.000 0.767 293 G HN 0.888 nan 8.290 nan 0.000 0.552 294 T N -0.635 113.795 114.554 -0.206 0.000 2.916 294 T HA 0.512 4.862 4.350 0.000 0.000 0.298 294 T C -1.117 173.440 174.700 -0.238 0.000 1.031 294 T CA -0.477 61.512 62.100 -0.184 0.000 0.993 294 T CB 2.815 71.636 68.868 -0.078 0.000 1.045 294 T HN -0.052 nan 8.240 nan 0.000 0.454 295 V N 3.962 123.754 119.914 -0.203 0.000 2.384 295 V HA 0.468 4.588 4.120 0.000 0.000 0.287 295 V C -0.244 175.714 176.094 -0.228 0.000 1.020 295 V CA -1.005 61.148 62.300 -0.244 0.000 0.850 295 V CB 1.630 33.301 31.823 -0.253 0.000 0.987 295 V HN 0.736 nan 8.190 nan 0.000 0.436 296 N N 2.706 121.264 118.700 -0.237 0.000 2.509 296 N HA 0.478 5.218 4.740 0.000 0.000 0.287 296 N C -1.107 174.264 175.510 -0.231 0.000 1.121 296 N CA -0.231 52.783 53.050 -0.059 0.000 0.977 296 N CB 1.040 39.532 38.487 0.007 0.000 1.167 296 N HN 0.595 nan 8.380 nan 0.000 0.476 297 Y N 1.255 121.678 120.300 0.204 0.000 2.787 297 Y HA 0.279 4.829 4.550 0.000 0.000 0.352 297 Y C -1.425 174.539 175.900 0.106 0.000 1.027 297 Y CA -1.401 56.782 58.100 0.138 0.000 1.219 297 Y CB 1.681 40.238 38.460 0.163 0.000 1.110 297 Y HN 0.521 nan 8.280 nan 0.000 0.614 298 P HA -0.079 nan 4.420 nan 0.000 0.221 298 P C 0.217 177.548 177.300 0.052 0.000 1.150 298 P CA 1.430 64.635 63.100 0.175 0.000 0.800 298 P CB 0.678 32.405 31.700 0.045 0.000 0.787 299 N N -0.993 117.723 118.700 0.025 0.000 2.166 299 N HA 0.100 4.840 4.740 0.000 0.000 0.213 299 N C -0.040 175.426 175.510 -0.073 0.000 1.222 299 N CA 0.205 53.233 53.050 -0.037 0.000 0.900 299 N CB 1.108 39.551 38.487 -0.073 0.000 1.055 299 N HN 0.197 nan 8.380 nan 0.000 0.515 300 D N -0.037 120.331 120.400 -0.053 0.000 2.547 300 D HA 0.345 4.985 4.640 0.000 0.000 0.231 300 D C -0.524 175.577 176.300 -0.330 0.000 1.099 300 D CA -0.216 53.625 54.000 -0.265 0.000 0.901 300 D CB 2.107 42.712 40.800 -0.326 0.000 1.478 300 D HN -0.185 nan 8.370 nan 0.000 0.471 301 Y N -0.605 119.454 120.300 -0.402 0.000 2.503 301 Y HA -0.266 4.284 4.550 0.000 0.000 0.022 301 Y C 1.035 176.594 175.900 -0.568 0.000 1.698 301 Y CA 0.134 57.826 58.100 -0.681 0.000 1.422 301 Y CB -1.012 36.558 38.460 -1.483 0.000 2.067 301 Y HN 0.518 nan 8.280 nan 0.000 0.253 302 A N 0.306 122.917 122.820 -0.348 0.000 2.072 302 A HA 0.130 4.450 4.320 0.000 0.000 0.216 302 A C 0.227 177.660 177.584 -0.252 0.000 1.156 302 A CA 1.214 53.167 52.037 -0.141 0.000 0.701 302 A CB -0.603 18.493 19.000 0.159 0.000 0.816 302 A HN 0.632 nan 8.150 nan 0.000 0.458 303 Y N -1.634 118.447 120.300 -0.366 0.000 2.307 303 Y HA 0.493 5.043 4.550 0.000 0.000 0.324 303 Y C 1.417 177.179 175.900 -0.230 0.000 1.238 303 Y CA -0.375 57.395 58.100 -0.550 0.000 1.280 303 Y CB 0.001 38.013 38.460 -0.747 0.000 1.248 303 Y HN 0.035 nan 8.280 nan 0.000 0.508 304 T N -1.119 113.402 114.554 -0.054 0.000 3.014 304 T HA 0.177 4.527 4.350 0.000 0.000 0.263 304 T C 0.252 175.069 174.700 0.196 0.000 1.078 304 T CA 0.538 62.561 62.100 -0.128 0.000 1.135 304 T CB -0.226 68.390 68.868 -0.421 0.000 0.895 304 T HN 0.875 nan 8.240 nan 0.000 0.480 305 R N -0.538 120.120 120.500 0.263 0.000 2.753 305 R HA 0.580 4.920 4.340 0.000 0.000 0.272 305 R C -2.333 173.993 176.300 0.043 0.000 1.034 305 R CA -1.092 55.161 56.100 0.255 0.000 0.869 305 R CB 1.098 31.496 30.300 0.162 0.000 1.264 305 R HN 0.017 nan 8.270 nan 0.000 0.481 306 V N 0.605 120.466 119.914 -0.087 0.000 2.628 306 V HA 0.697 4.817 4.120 0.000 0.000 0.306 306 V C -0.322 175.573 176.094 -0.332 0.000 1.045 306 V CA -0.836 61.195 62.300 -0.448 0.000 0.905 306 V CB 1.800 33.245 31.823 -0.630 0.000 0.997 306 V HN 0.831 nan 8.190 nan 0.000 0.436 307 S N 2.213 117.668 115.700 -0.409 0.000 2.542 307 S HA 0.596 5.066 4.470 0.000 0.000 0.293 307 S C -0.722 173.558 174.600 -0.534 0.000 1.089 307 S CA -0.716 57.239 58.200 -0.409 0.000 0.961 307 S CB 2.040 64.995 63.200 -0.409 0.000 1.062 307 S HN 0.902 nan 8.310 nan 0.000 0.483 308 E N 1.523 121.500 120.200 -0.371 0.000 2.145 308 E HA 0.352 4.702 4.350 0.000 0.000 0.262 308 E C -0.540 175.959 176.600 -0.169 0.000 0.883 308 E CA -0.493 55.777 56.400 -0.216 0.000 0.748 308 E CB 0.431 30.176 29.700 0.076 0.000 1.140 308 E HN 0.590 nan 8.360 nan 0.000 0.417 309 F N 3.397 123.311 119.950 -0.060 0.000 2.234 309 F HA -0.074 4.453 4.527 0.000 0.000 0.299 309 F C 1.993 177.712 175.800 -0.134 0.000 1.087 309 F CA 0.763 58.672 58.000 -0.152 0.000 1.340 309 F CB 0.061 38.911 39.000 -0.250 0.000 1.031 309 F HN 0.448 nan 8.300 nan 0.000 0.500 310 K N -0.469 119.952 120.400 0.034 0.000 2.103 310 K HA -0.197 4.123 4.320 0.000 0.000 0.207 310 K C 1.826 178.365 176.600 -0.102 0.000 1.048 310 K CA 1.393 57.645 56.287 -0.059 0.000 0.930 310 K CB -0.426 32.012 32.500 -0.104 0.000 0.716 310 K HN 0.364 nan 8.250 nan 0.000 0.444 311 H N 0.252 119.295 119.070 -0.046 0.000 2.390 311 H HA -0.122 4.434 4.556 0.000 0.000 0.298 311 H C 2.107 177.288 175.328 -0.244 0.000 1.106 311 H CA 1.500 57.525 56.048 -0.039 0.000 1.297 311 H CB -0.038 29.747 29.762 0.039 0.000 1.375 311 H HN 0.210 nan 8.280 nan 0.000 0.509 312 I N 0.201 120.666 120.570 -0.176 0.000 2.585 312 I HA -0.135 4.035 4.170 0.000 0.000 0.254 312 I C 2.560 178.438 176.117 -0.398 0.000 1.129 312 I CA 1.260 62.237 61.300 -0.538 0.000 1.455 312 I CB 0.000 37.933 38.000 -0.112 0.000 1.111 312 I HN 0.229 nan 8.210 nan 0.000 0.433 313 T N -2.199 112.262 114.554 -0.155 0.000 3.054 313 T HA 0.178 4.528 4.350 0.000 0.000 0.259 313 T C 1.752 176.404 174.700 -0.079 0.000 1.092 313 T CA 0.617 62.665 62.100 -0.088 0.000 1.121 313 T CB 0.157 68.991 68.868 -0.057 0.000 0.912 313 T HN 0.468 nan 8.240 nan 0.000 0.489 314 G N 1.217 109.965 108.800 -0.087 0.000 2.168 314 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 314 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 314 G C -0.076 174.820 174.900 -0.005 0.000 0.977 314 G CA 0.390 45.469 45.100 -0.035 0.000 0.659 314 G HN 0.934 nan 8.290 nan 0.000 0.533 315 Q N 0.134 119.932 119.800 -0.003 0.000 2.361 315 Q HA 0.334 4.674 4.340 0.000 0.000 0.276 315 Q C 0.692 176.726 176.000 0.057 0.000 1.022 315 Q CA -0.144 55.684 55.803 0.042 0.000 0.898 315 Q CB 0.359 29.124 28.738 0.045 0.000 1.246 315 Q HN 0.561 nan 8.270 nan 0.000 0.410 316 R N 2.926 123.480 120.500 0.089 0.000 2.474 316 R HA 0.357 4.697 4.340 0.000 0.000 0.295 316 R C -1.355 175.050 176.300 0.176 0.000 0.980 316 R CA -0.379 55.779 56.100 0.095 0.000 0.934 316 R CB 0.995 31.333 30.300 0.063 0.000 1.101 316 R HN 0.794 nan 8.270 nan 0.000 0.469 317 H N 2.261 121.359 119.070 0.047 0.000 3.043 317 H HA 0.021 4.577 4.556 0.000 0.000 0.317 317 H C -0.306 175.072 175.328 0.084 0.000 1.321 317 H CA -0.408 55.685 56.048 0.074 0.000 1.243 317 H CB 1.084 30.868 29.762 0.037 0.000 1.924 317 H HN 0.959 nan 8.280 nan 0.000 0.527 318 H N 1.813 120.866 119.070 -0.029 0.000 2.551 318 H HA 0.224 4.780 4.556 0.000 0.000 0.266 318 H C -0.368 175.064 175.328 0.174 0.000 0.964 318 H CA 0.076 56.154 56.048 0.051 0.000 1.180 318 H CB 1.051 30.794 29.762 -0.032 0.000 1.408 318 H HN 0.440 nan 8.280 nan 0.000 0.563 319 Q N 0.240 120.014 119.800 -0.043 0.000 2.699 319 Q HA 0.493 4.833 4.340 0.000 0.000 0.240 319 Q C -0.769 175.227 176.000 -0.007 0.000 1.033 319 Q CA -0.960 54.794 55.803 -0.081 0.000 0.938 319 Q CB 2.285 30.917 28.738 -0.177 0.000 1.312 319 Q HN 0.150 nan 8.270 nan 0.000 0.507 320 T N -0.225 114.306 114.554 -0.038 0.000 2.982 320 T HA 0.427 4.777 4.350 0.000 0.000 0.321 320 T C -1.615 173.092 174.700 0.011 0.000 1.229 320 T CA -0.409 61.675 62.100 -0.027 0.000 1.044 320 T CB 1.467 70.345 68.868 0.016 0.000 1.184 320 T HN 0.425 nan 8.240 nan 0.000 0.477 321 S N 2.097 117.808 115.700 0.018 0.000 2.473 321 S HA 0.792 5.262 4.470 0.000 0.000 0.307 321 S C -0.229 174.468 174.600 0.161 0.000 1.094 321 S CA -0.674 57.581 58.200 0.091 0.000 1.070 321 S CB 1.387 64.627 63.200 0.067 0.000 1.019 321 S HN 0.889 nan 8.310 nan 0.000 0.480 322 V N 0.806 120.796 119.914 0.126 0.000 3.126 322 V HA 0.962 5.082 4.120 0.000 0.000 0.314 322 V C -0.701 175.388 176.094 -0.008 0.000 1.138 322 V CA -0.791 61.479 62.300 -0.050 0.000 1.034 322 V CB 1.799 33.535 31.823 -0.145 0.000 1.075 322 V HN 0.600 nan 8.190 nan 0.000 0.442 323 V N 2.173 121.951 119.914 -0.227 0.000 2.709 323 V HA 0.673 4.793 4.120 0.000 0.000 0.308 323 V C -1.665 174.245 176.094 -0.306 0.000 1.062 323 V CA -0.426 61.762 62.300 -0.187 0.000 0.901 323 V CB 1.960 33.700 31.823 -0.138 0.000 1.003 323 V HN 0.891 nan 8.190 nan 0.000 0.425 324 Y N 3.924 124.145 120.300 -0.130 0.000 2.341 324 Y HA 0.573 5.123 4.550 0.000 0.000 0.337 324 Y C 0.519 176.388 175.900 -0.051 0.000 1.014 324 Y CA -0.403 57.567 58.100 -0.217 0.000 1.111 324 Y CB 1.671 39.909 38.460 -0.371 0.000 1.194 324 Y HN 0.583 nan 8.280 nan 0.000 0.462 325 E N 3.174 123.389 120.200 0.026 0.000 2.151 325 E HA 0.305 4.655 4.350 0.000 0.000 0.275 325 E C -1.683 174.852 176.600 -0.109 0.000 0.936 325 E CA -0.798 55.618 56.400 0.027 0.000 0.777 325 E CB 1.309 31.049 29.700 0.068 0.000 1.108 325 E HN 0.485 nan 8.360 nan 0.000 0.401 326 Y N 2.474 122.743 120.300 -0.053 0.000 2.328 326 Y HA 0.279 4.829 4.550 0.000 0.000 0.333 326 Y C -2.228 173.609 175.900 -0.105 0.000 0.958 326 Y CA -2.921 55.156 58.100 -0.039 0.000 1.167 326 Y CB 1.140 39.593 38.460 -0.012 0.000 1.151 326 Y HN 0.396 nan 8.280 nan 0.000 0.470 327 P HA 0.178 nan 4.420 nan 0.000 0.269 327 P C -0.460 176.831 177.300 -0.014 0.000 1.209 327 P CA -0.104 62.952 63.100 -0.074 0.000 0.776 327 P CB 0.743 32.352 31.700 -0.151 0.000 0.876 328 R N 1.530 122.021 120.500 -0.015 0.000 2.651 328 R HA 0.512 4.852 4.340 0.000 0.000 0.278 328 R C 0.525 176.837 176.300 0.020 0.000 1.010 328 R CA -0.839 55.268 56.100 0.011 0.000 0.896 328 R CB 1.921 32.233 30.300 0.019 0.000 1.211 328 R HN 0.412 nan 8.270 nan 0.000 0.456 329 A N 1.490 124.327 122.820 0.029 0.000 2.021 329 A HA 0.039 4.359 4.320 0.000 0.000 0.216 329 A C 0.216 177.829 177.584 0.050 0.000 1.163 329 A CA 1.123 53.188 52.037 0.048 0.000 0.676 329 A CB 0.164 19.192 19.000 0.048 0.000 0.818 329 A HN 0.592 nan 8.150 nan 0.000 0.453 330 E N -2.328 117.891 120.200 0.031 0.000 2.263 330 E HA 0.605 4.955 4.350 0.000 0.000 0.264 330 E C 0.074 176.679 176.600 0.008 0.000 0.923 330 E CA 0.464 56.878 56.400 0.022 0.000 0.802 330 E CB 1.893 31.602 29.700 0.015 0.000 1.228 330 E HN 0.695 nan 8.360 nan 0.000 0.417 331 G N 1.245 110.040 108.800 -0.009 0.000 2.343 331 G HA2 -0.048 3.912 3.960 0.000 0.000 0.465 331 G HA3 -0.048 3.912 3.960 0.000 0.000 0.465 331 G C -1.422 173.406 174.900 -0.119 0.000 1.282 331 G CA -1.073 44.007 45.100 -0.033 0.000 0.996 331 G HN 0.474 nan 8.290 nan 0.000 0.521 332 D N 1.985 122.273 120.400 -0.186 0.000 2.506 332 D HA 0.313 4.953 4.640 0.000 0.000 0.234 332 D C -1.691 174.242 176.300 -0.612 0.000 1.143 332 D CA 0.220 54.018 54.000 -0.337 0.000 0.871 332 D CB 0.748 41.364 40.800 -0.307 0.000 1.190 332 D HN 0.284 nan 8.370 nan 0.000 0.459 333 P HA 0.041 nan 4.420 nan 0.000 0.276 333 P C -0.392 176.725 177.300 -0.306 0.000 1.243 333 P CA 0.249 63.151 63.100 -0.332 0.000 0.768 333 P CB 0.262 31.638 31.700 -0.540 0.000 0.856 334 Y N 1.442 121.815 120.300 0.121 0.000 2.589 334 Y HA 0.194 4.744 4.550 0.000 0.000 0.271 334 Y C 0.378 176.184 175.900 -0.156 0.000 1.107 334 Y CA -0.238 57.859 58.100 -0.004 0.000 1.273 334 Y CB 0.485 38.967 38.460 0.037 0.000 1.266 334 Y HN 0.199 nan 8.280 nan 0.000 0.504 335 Y N 1.032 121.453 120.300 0.202 0.000 2.361 335 Y HA 0.436 4.986 4.550 0.000 0.000 0.337 335 Y C -2.671 173.284 175.900 0.091 0.000 0.965 335 Y CA -3.741 54.377 58.100 0.029 0.000 1.091 335 Y CB 1.049 39.418 38.460 -0.151 0.000 1.182 335 Y HN -0.195 nan 8.280 nan 0.000 0.450 336 P HA 0.106 nan 4.420 nan 0.000 0.272 336 P C -0.769 176.446 177.300 -0.141 0.000 1.230 336 P CA -0.254 62.498 63.100 -0.580 0.000 0.788 336 P CB 0.841 31.776 31.700 -1.274 0.000 0.949 337 V N 3.181 123.045 119.914 -0.084 0.000 2.266 337 V HA 0.246 4.367 4.120 0.000 0.000 0.271 337 V C -2.260 173.820 176.094 -0.023 0.000 1.032 337 V CA -1.810 60.533 62.300 0.071 0.000 0.806 337 V CB 0.839 32.782 31.823 0.200 0.000 1.052 337 V HN 0.482 nan 8.190 nan 0.000 0.449 338 P HA 0.336 nan 4.420 nan 0.000 0.274 338 P C -0.302 176.965 177.300 -0.054 0.000 1.291 338 P CA 0.073 63.143 63.100 -0.051 0.000 0.815 338 P CB 0.235 31.910 31.700 -0.042 0.000 0.897 339 R N 2.705 123.215 120.500 0.016 0.000 2.728 339 R HA 0.384 4.725 4.340 0.000 0.000 0.274 339 R C -2.845 173.480 176.300 0.041 0.000 1.032 339 R CA -1.766 54.339 56.100 0.007 0.000 0.866 339 R CB -0.205 30.089 30.300 -0.010 0.000 1.263 339 R HN -0.081 nan 8.270 nan 0.000 0.475 340 P HA -0.263 nan 4.420 nan 0.000 0.215 340 P C 0.872 178.195 177.300 0.037 0.000 1.157 340 P CA 1.987 65.105 63.100 0.030 0.000 0.874 340 P CB 0.067 31.776 31.700 0.015 0.000 0.790 341 E N -1.076 119.145 120.200 0.035 0.000 2.204 341 E HA -0.169 4.181 4.350 0.000 0.000 0.194 341 E C 1.381 178.011 176.600 0.050 0.000 0.989 341 E CA 0.997 57.417 56.400 0.034 0.000 0.824 341 E CB -0.727 28.993 29.700 0.033 0.000 0.756 341 E HN 0.202 nan 8.360 nan 0.000 0.477 342 N N 1.197 119.945 118.700 0.079 0.000 2.336 342 N HA 0.050 4.790 4.740 0.000 0.000 0.177 342 N C 1.822 177.410 175.510 0.129 0.000 1.018 342 N CA 1.255 54.368 53.050 0.105 0.000 0.878 342 N CB -0.224 38.372 38.487 0.182 0.000 0.997 342 N HN 0.300 nan 8.380 nan 0.000 0.433 343 A N 1.158 124.071 122.820 0.154 0.000 1.940 343 A HA -0.187 4.134 4.320 0.000 0.000 0.219 343 A C 2.209 179.868 177.584 0.125 0.000 1.176 343 A CA 1.746 53.893 52.037 0.184 0.000 0.631 343 A CB -0.472 18.609 19.000 0.135 0.000 0.814 343 A HN 0.270 nan 8.150 nan 0.000 0.446 344 E N -0.052 120.181 120.200 0.054 0.000 2.047 344 E HA -0.111 4.239 4.350 0.000 0.000 0.191 344 E C 1.893 178.462 176.600 -0.052 0.000 0.987 344 E CA 1.076 57.470 56.400 -0.009 0.000 0.799 344 E CB -0.370 29.317 29.700 -0.022 0.000 0.752 344 E HN 0.508 nan 8.360 nan 0.000 0.449 345 L N -0.104 121.108 121.223 -0.018 0.000 2.046 345 L HA -0.200 4.140 4.340 0.000 0.000 0.208 345 L C 2.279 179.156 176.870 0.011 0.000 1.077 345 L CA 1.765 56.588 54.840 -0.028 0.000 0.747 345 L CB -0.406 41.685 42.059 0.053 0.000 0.896 345 L HN 0.353 nan 8.230 nan 0.000 0.432 346 Y N 0.939 121.191 120.300 -0.080 0.000 2.224 346 Y HA -0.280 4.270 4.550 0.000 0.000 0.289 346 Y C 2.518 178.406 175.900 -0.020 0.000 1.146 346 Y CA 1.646 59.699 58.100 -0.078 0.000 1.182 346 Y CB -0.252 38.071 38.460 -0.228 0.000 0.983 346 Y HN 0.047 nan 8.280 nan 0.000 0.524 347 K N 0.296 120.518 120.400 -0.296 0.000 2.074 347 K HA -0.244 4.076 4.320 0.000 0.000 0.209 347 K C 2.064 178.420 176.600 -0.406 0.000 1.048 347 K CA 2.157 58.222 56.287 -0.370 0.000 0.926 347 K CB -0.128 32.263 32.500 -0.182 0.000 0.713 347 K HN 0.342 nan 8.250 nan 0.000 0.444 348 K N -0.270 119.887 120.400 -0.404 0.000 2.026 348 K HA -0.171 4.149 4.320 0.000 0.000 0.208 348 K C 2.080 178.436 176.600 -0.406 0.000 1.048 348 K CA 1.773 57.735 56.287 -0.542 0.000 0.929 348 K CB -0.276 31.650 32.500 -0.956 0.000 0.713 348 K HN 0.201 nan 8.250 nan 0.000 0.439 349 Y N 1.216 121.386 120.300 -0.217 0.000 2.224 349 Y HA -0.227 4.323 4.550 0.000 0.000 0.289 349 Y C 2.504 178.169 175.900 -0.393 0.000 1.146 349 Y CA 1.254 59.250 58.100 -0.174 0.000 1.182 349 Y CB -0.007 38.464 38.460 0.018 0.000 0.983 349 Y HN 0.238 nan 8.280 nan 0.000 0.524 350 E N 0.268 120.185 120.200 -0.471 0.000 2.153 350 E HA -0.220 4.130 4.350 0.000 0.000 0.194 350 E C 2.239 178.653 176.600 -0.309 0.000 0.988 350 E CA 0.900 56.995 56.400 -0.507 0.000 0.811 350 E CB -0.123 29.131 29.700 -0.743 0.000 0.746 350 E HN 0.450 nan 8.360 nan 0.000 0.466 351 A N 0.791 123.441 122.820 -0.284 0.000 1.929 351 A HA -0.073 4.247 4.320 0.000 0.000 0.216 351 A C 2.137 179.601 177.584 -0.200 0.000 1.176 351 A CA 0.702 52.617 52.037 -0.202 0.000 0.628 351 A CB -0.437 18.451 19.000 -0.187 0.000 0.816 351 A HN 0.273 nan 8.150 nan 0.000 0.444 352 L N -0.709 120.322 121.223 -0.319 0.000 2.017 352 L HA -0.189 4.151 4.340 0.000 0.000 0.208 352 L C 3.133 179.861 176.870 -0.236 0.000 1.073 352 L CA 1.059 55.623 54.840 -0.459 0.000 0.745 352 L CB -0.684 40.669 42.059 -1.176 0.000 0.894 352 L HN 0.433 nan 8.230 nan 0.000 0.432 353 A N 0.192 122.855 122.820 -0.262 0.000 1.873 353 A HA -0.271 4.049 4.320 0.000 0.000 0.218 353 A C 1.922 179.499 177.584 -0.011 0.000 1.193 353 A CA 2.249 54.137 52.037 -0.249 0.000 0.629 353 A CB -0.671 17.790 19.000 -0.897 0.000 0.826 353 A HN 0.373 nan 8.150 nan 0.000 0.447 354 D N -0.291 120.076 120.400 -0.055 0.000 2.218 354 D HA -0.010 4.630 4.640 0.000 0.000 0.204 354 D C 1.960 178.301 176.300 0.069 0.000 0.976 354 D CA 1.401 55.417 54.000 0.026 0.000 0.853 354 D CB -0.239 40.553 40.800 -0.013 0.000 0.939 354 D HN 0.472 nan 8.370 nan 0.000 0.481 355 A N 0.350 123.205 122.820 0.057 0.000 2.081 355 A HA 0.375 4.696 4.320 0.000 0.000 0.214 355 A C 1.330 178.999 177.584 0.142 0.000 1.158 355 A CA 0.447 52.531 52.037 0.077 0.000 0.724 355 A CB -0.102 18.920 19.000 0.037 0.000 0.826 355 A HN 0.158 nan 8.150 nan 0.000 0.463 356 A N 0.443 123.401 122.820 0.231 0.000 2.522 356 A HA 0.315 4.635 4.320 0.000 0.000 0.256 356 A C 1.121 178.829 177.584 0.206 0.000 1.086 356 A CA -0.177 52.036 52.037 0.293 0.000 0.763 356 A CB 0.196 19.483 19.000 0.479 0.000 1.024 356 A HN 0.426 nan 8.150 nan 0.000 0.502 357 Q N 1.476 121.366 119.800 0.150 0.000 1.994 357 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 357 Q C 0.069 176.129 176.000 0.099 0.000 0.976 357 Q CA 1.507 57.378 55.803 0.114 0.000 0.828 357 Q CB 0.002 28.791 28.738 0.085 0.000 0.894 357 Q HN 0.831 nan 8.270 nan 0.000 0.432 358 D N 0.717 121.128 120.400 0.019 0.000 2.895 358 D HA 0.194 4.834 4.640 0.000 0.000 0.258 358 D C -0.629 175.364 176.300 -0.511 0.000 1.311 358 D CA 0.067 53.977 54.000 -0.151 0.000 0.843 358 D CB 0.996 41.744 40.800 -0.087 0.000 1.055 358 D HN -0.084 nan 8.370 nan 0.000 0.486 359 V N 0.553 120.320 119.914 -0.244 0.000 2.588 359 V HA 0.318 4.438 4.120 0.000 0.000 0.304 359 V C 0.240 176.319 176.094 -0.026 0.000 1.042 359 V CA -0.597 61.536 62.300 -0.280 0.000 0.877 359 V CB 2.236 33.889 31.823 -0.283 0.000 0.996 359 V HN -0.041 nan 8.190 nan 0.000 0.425 360 T N 4.989 119.557 114.554 0.023 0.000 2.797 360 T HA 0.667 5.017 4.350 0.000 0.000 0.279 360 T C -0.691 173.986 174.700 -0.038 0.000 0.991 360 T CA -0.110 62.099 62.100 0.183 0.000 0.979 360 T CB 0.688 69.740 68.868 0.306 0.000 0.943 360 T HN 0.295 nan 8.240 nan 0.000 0.444 361 F N 2.597 122.593 119.950 0.076 0.000 2.408 361 F HA 0.645 5.172 4.527 0.000 0.000 0.344 361 F C 0.352 176.206 175.800 0.089 0.000 1.112 361 F CA -0.779 57.265 58.000 0.073 0.000 1.096 361 F CB 1.447 40.505 39.000 0.098 0.000 1.129 361 F HN 0.283 nan 8.300 nan 0.000 0.486 362 V N 2.219 122.242 119.914 0.181 0.000 2.969 362 V HA 0.965 5.085 4.120 0.000 0.000 0.304 362 V C -0.616 175.541 176.094 0.105 0.000 1.192 362 V CA 0.182 62.571 62.300 0.148 0.000 0.962 362 V CB 1.340 33.231 31.823 0.112 0.000 1.045 362 V HN 1.359 nan 8.190 nan 0.000 0.428 363 G N 4.572 113.455 108.800 0.139 0.000 2.440 363 G HA2 -0.028 3.932 3.960 0.000 0.000 0.684 363 G HA3 -0.028 3.932 3.960 0.000 0.000 0.684 363 G C 0.060 175.023 174.900 0.105 0.000 1.309 363 G CA 0.172 45.348 45.100 0.127 0.000 0.931 363 G HN 1.412 nan 8.290 nan 0.000 0.612 364 R N -0.361 120.208 120.500 0.115 0.000 2.096 364 R HA -0.055 4.285 4.340 0.000 0.000 0.240 364 R C 2.306 178.653 176.300 0.078 0.000 1.139 364 R CA 2.297 58.440 56.100 0.071 0.000 0.952 364 R CB -0.372 29.998 30.300 0.117 0.000 0.854 364 R HN 0.547 nan 8.270 nan 0.000 0.436 365 L N -0.305 120.977 121.223 0.097 0.000 2.131 365 L HA 0.052 4.392 4.340 0.000 0.000 0.206 365 L C 2.700 179.724 176.870 0.256 0.000 1.087 365 L CA 0.931 55.874 54.840 0.172 0.000 0.767 365 L CB -0.392 41.648 42.059 -0.031 0.000 0.917 365 L HN 0.279 nan 8.230 nan 0.000 0.441 366 A N -0.072 122.853 122.820 0.175 0.000 1.968 366 A HA -0.122 4.198 4.320 0.000 0.000 0.217 366 A C 2.159 179.955 177.584 0.353 0.000 1.169 366 A CA 1.814 54.036 52.037 0.308 0.000 0.638 366 A CB -0.608 18.536 19.000 0.239 0.000 0.812 366 A HN 0.459 nan 8.150 nan 0.000 0.446 367 T N -6.974 107.709 114.554 0.215 0.000 3.134 367 T HA 0.199 4.549 4.350 0.000 0.000 0.260 367 T C 0.291 174.912 174.700 -0.132 0.000 1.027 367 T CA 0.112 62.301 62.100 0.147 0.000 0.913 367 T CB -0.488 68.457 68.868 0.128 0.000 1.046 367 T HN 0.648 nan 8.240 nan 0.000 0.553 368 Y N 2.056 122.202 120.300 -0.256 0.000 3.168 368 Y HA -0.258 4.292 4.550 0.000 0.000 0.207 368 Y C -0.308 175.385 175.900 -0.345 0.000 1.280 368 Y CA 0.010 57.879 58.100 -0.386 0.000 1.235 368 Y CB -1.792 36.116 38.460 -0.919 0.000 1.370 368 Y HN 0.474 nan 8.280 nan 0.000 0.537 369 R N 0.979 121.283 120.500 -0.328 0.000 2.534 369 R HA 0.254 4.594 4.340 0.000 0.000 0.301 369 R C -0.673 175.509 176.300 -0.196 0.000 0.961 369 R CA -1.155 54.706 56.100 -0.399 0.000 0.871 369 R CB 0.958 30.755 30.300 -0.839 0.000 1.170 369 R HN 0.150 nan 8.270 nan 0.000 0.446 370 Y N 4.250 124.456 120.300 -0.156 0.000 2.790 370 Y HA 0.018 4.568 4.550 0.000 0.000 0.348 370 Y C -0.925 175.097 175.900 0.203 0.000 1.183 370 Y CA -0.383 57.753 58.100 0.059 0.000 2.002 370 Y CB -0.535 38.010 38.460 0.142 0.000 2.086 370 Y HN 0.361 nan 8.280 nan 0.000 0.412 371 Y N 1.704 122.164 120.300 0.267 0.000 2.352 371 Y HA 0.255 4.805 4.550 0.000 0.000 0.326 371 Y C 0.727 176.693 175.900 0.110 0.000 1.166 371 Y CA -1.539 56.640 58.100 0.132 0.000 1.182 371 Y CB 0.695 39.203 38.460 0.079 0.000 1.216 371 Y HN 0.304 nan 8.280 nan 0.000 0.474 372 N N 2.229 121.009 118.700 0.134 0.000 2.445 372 N HA 0.166 4.906 4.740 0.000 0.000 0.264 372 N C 1.285 176.727 175.510 -0.112 0.000 1.227 372 N CA -0.197 52.841 53.050 -0.021 0.000 0.963 372 N CB 0.655 39.028 38.487 -0.190 0.000 1.188 372 N HN 0.657 nan 8.380 nan 0.000 0.491 373 M N 0.349 119.848 119.600 -0.168 0.000 2.089 373 M HA -0.248 4.232 4.480 0.000 0.000 0.257 373 M C 1.467 177.550 176.300 -0.360 0.000 1.071 373 M CA 1.763 56.872 55.300 -0.319 0.000 1.096 373 M CB -0.373 32.023 32.600 -0.340 0.000 1.330 373 M HN 0.590 nan 8.290 nan 0.000 0.403 374 D N -0.194 120.004 120.400 -0.336 0.000 2.144 374 D HA -0.201 4.439 4.640 0.000 0.000 0.200 374 D C 1.689 177.856 176.300 -0.222 0.000 0.978 374 D CA 1.434 55.305 54.000 -0.215 0.000 0.833 374 D CB -0.667 39.903 40.800 -0.383 0.000 0.961 374 D HN 0.517 nan 8.370 nan 0.000 0.470 375 Q N 0.381 119.990 119.800 -0.318 0.000 2.050 375 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 375 Q C 2.669 178.468 176.000 -0.335 0.000 0.980 375 Q CA 1.354 56.885 55.803 -0.453 0.000 0.840 375 Q CB -0.056 28.207 28.738 -0.791 0.000 0.898 375 Q HN 0.196 nan 8.270 nan 0.000 0.424 376 V N 0.332 120.166 119.914 -0.134 0.000 2.332 376 V HA -0.243 3.877 4.120 0.000 0.000 0.248 376 V C 2.247 178.365 176.094 0.039 0.000 1.055 376 V CA 1.449 63.791 62.300 0.069 0.000 1.038 376 V CB -0.484 31.429 31.823 0.150 0.000 0.651 376 V HN 0.202 nan 8.190 nan 0.000 0.450 377 V N 0.325 120.225 119.914 -0.022 0.000 2.287 377 V HA -0.292 3.828 4.120 0.000 0.000 0.248 377 V C 2.704 178.780 176.094 -0.031 0.000 1.053 377 V CA 2.173 64.485 62.300 0.021 0.000 1.027 377 V CB -1.187 30.669 31.823 0.055 0.000 0.646 377 V HN 0.573 nan 8.190 nan 0.000 0.447 378 A N -1.062 121.722 122.820 -0.059 0.000 1.877 378 A HA -0.303 4.017 4.320 0.000 0.000 0.216 378 A C 2.263 179.831 177.584 -0.026 0.000 1.186 378 A CA 2.081 54.082 52.037 -0.061 0.000 0.620 378 A CB -0.600 18.348 19.000 -0.087 0.000 0.822 378 A HN 0.585 nan 8.150 nan 0.000 0.443 379 Q N -0.612 119.185 119.800 -0.005 0.000 2.077 379 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 379 Q C 2.250 178.297 176.000 0.078 0.000 0.989 379 Q CA 1.801 57.651 55.803 0.079 0.000 0.853 379 Q CB -0.337 28.515 28.738 0.190 0.000 0.907 379 Q HN 0.633 nan 8.270 nan 0.000 0.418 380 A N 0.494 123.351 122.820 0.062 0.000 1.933 380 A HA -0.148 4.172 4.320 0.000 0.000 0.218 380 A C 2.027 179.630 177.584 0.032 0.000 1.175 380 A CA 1.043 53.110 52.037 0.051 0.000 0.628 380 A CB -0.571 18.454 19.000 0.043 0.000 0.814 380 A HN 0.430 nan 8.150 nan 0.000 0.444 381 L N -1.036 120.175 121.223 -0.019 0.000 2.056 381 L HA -0.149 4.191 4.340 0.000 0.000 0.207 381 L C 3.087 180.001 176.870 0.074 0.000 1.078 381 L CA 1.009 55.835 54.840 -0.022 0.000 0.749 381 L CB -0.507 41.476 42.059 -0.128 0.000 0.901 381 L HN 0.442 nan 8.230 nan 0.000 0.433 382 A N -0.661 122.187 122.820 0.047 0.000 1.969 382 A HA -0.172 4.148 4.320 0.000 0.000 0.218 382 A C 2.316 179.937 177.584 0.061 0.000 1.169 382 A CA 2.134 54.201 52.037 0.050 0.000 0.635 382 A CB -0.741 18.287 19.000 0.046 0.000 0.810 382 A HN 0.362 nan 8.150 nan 0.000 0.445 383 T N -0.813 113.792 114.554 0.085 0.000 2.821 383 T HA -0.092 4.258 4.350 0.000 0.000 0.267 383 T C 1.576 176.328 174.700 0.087 0.000 1.046 383 T CA 1.437 63.589 62.100 0.087 0.000 1.139 383 T CB -0.363 68.565 68.868 0.100 0.000 0.871 383 T HN 0.515 nan 8.240 nan 0.000 0.454 384 F N 2.379 122.306 119.950 -0.039 0.000 2.134 384 F HA -0.049 4.478 4.527 0.000 0.000 0.299 384 F C 2.335 178.116 175.800 -0.031 0.000 1.097 384 F CA 1.171 59.137 58.000 -0.057 0.000 1.264 384 F CB -0.257 38.700 39.000 -0.072 0.000 1.001 384 F HN -0.072 nan 8.300 nan 0.000 0.479 385 R N 0.012 120.400 120.500 -0.187 0.000 2.091 385 R HA -0.142 4.198 4.340 0.000 0.000 0.238 385 R C 2.477 178.654 176.300 -0.205 0.000 1.136 385 R CA 1.685 57.632 56.100 -0.256 0.000 0.959 385 R CB -0.361 29.893 30.300 -0.076 0.000 0.856 385 R HN 0.305 nan 8.270 nan 0.000 0.437 386 R N 0.129 120.566 120.500 -0.104 0.000 2.073 386 R HA -0.109 4.231 4.340 0.000 0.000 0.234 386 R C 2.101 178.347 176.300 -0.090 0.000 1.134 386 R CA 1.024 57.085 56.100 -0.065 0.000 0.952 386 R CB -0.350 29.947 30.300 -0.006 0.000 0.850 386 R HN 0.084 nan 8.270 nan 0.000 0.433 387 L N 1.052 122.210 121.223 -0.108 0.000 2.353 387 L HA -0.171 4.169 4.340 0.000 0.000 0.220 387 L C 2.023 178.806 176.870 -0.145 0.000 1.133 387 L CA 1.632 56.414 54.840 -0.096 0.000 0.798 387 L CB -0.580 41.446 42.059 -0.055 0.000 0.922 387 L HN 0.203 nan 8.230 nan 0.000 0.445 388 Q N -1.379 118.248 119.800 -0.288 0.000 2.065 388 Q HA 0.488 4.828 4.340 0.000 0.000 0.289 388 Q C 0.699 176.601 176.000 -0.162 0.000 0.980 388 Q CA 0.809 56.438 55.803 -0.290 0.000 0.848 388 Q CB 0.013 28.401 28.738 -0.583 0.000 1.433 388 Q HN 0.299 nan 8.270 nan 0.000 0.488 389 G N 0.000 108.705 108.800 -0.158 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 44.963 45.100 -0.228 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925