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 3hg2_1_A DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cEWPLYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.907 176.870 0.062 0.000 1.165 32 L CA 0.000 54.902 54.840 0.103 0.000 0.813 32 L CB 0.000 42.173 42.059 0.190 0.000 0.961 33 D N 2.583 122.999 120.400 0.026 0.000 2.845 33 D HA 0.199 4.839 4.640 -0.000 0.000 0.235 33 D C 0.477 176.798 176.300 0.034 0.000 1.158 33 D CA 0.180 54.192 54.000 0.019 0.000 0.990 33 D CB 0.099 40.895 40.800 -0.006 0.000 1.094 33 D HN 0.582 nan 8.370 nan 0.000 0.486 34 N N 0.153 118.890 118.700 0.060 0.000 2.204 34 N HA 0.125 4.865 4.740 -0.000 0.000 0.219 34 N C 1.345 176.899 175.510 0.074 0.000 1.151 34 N CA 0.164 53.254 53.050 0.066 0.000 0.867 34 N CB 0.232 38.769 38.487 0.082 0.000 1.043 34 N HN 0.162 nan 8.380 nan 0.000 0.516 35 G N 0.170 109.013 108.800 0.072 0.000 2.155 35 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 35 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 35 G C -0.343 174.623 174.900 0.110 0.000 0.983 35 G CA 0.810 45.958 45.100 0.079 0.000 0.676 35 G HN 0.374 nan 8.290 nan 0.000 0.528 36 L N -1.517 119.786 121.223 0.133 0.000 2.304 36 L HA 0.720 5.060 4.340 -0.000 0.000 0.268 36 L C 1.574 178.576 176.870 0.219 0.000 1.010 36 L CA -0.750 54.195 54.840 0.175 0.000 0.813 36 L CB 1.536 43.705 42.059 0.183 0.000 1.315 36 L HN 1.089 nan 8.230 nan 0.000 0.445 37 A N 0.661 123.642 122.820 0.268 0.000 2.640 37 A HA -0.196 4.124 4.320 -0.000 0.000 0.300 37 A C 1.494 179.391 177.584 0.522 0.000 1.499 37 A CA 0.610 52.889 52.037 0.403 0.000 0.759 37 A CB -1.171 18.143 19.000 0.524 0.000 1.048 37 A HN 0.751 nan 8.150 nan 0.000 0.450 38 R N 0.013 120.718 120.500 0.340 0.000 2.148 38 R HA -0.018 4.322 4.340 -0.000 0.000 0.227 38 R C 1.244 177.821 176.300 0.462 0.000 1.103 38 R CA 1.605 57.898 56.100 0.323 0.000 0.983 38 R CB -1.033 29.379 30.300 0.187 0.000 0.874 38 R HN 1.135 nan 8.270 nan 0.000 0.451 39 T N -1.862 112.875 114.554 0.304 0.000 2.924 39 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 39 T C -2.927 171.563 174.700 -0.349 0.000 1.045 39 T CA -2.698 59.417 62.100 0.026 0.000 1.015 39 T CB 2.787 71.606 68.868 -0.081 0.000 1.103 39 T HN -0.252 nan 8.240 nan 0.000 0.496 40 P HA 0.146 nan 4.420 nan 0.000 0.264 40 P C 0.010 176.963 177.300 -0.578 0.000 1.183 40 P CA 0.068 62.428 63.100 -1.233 0.000 0.763 40 P CB -0.107 30.898 31.700 -1.159 0.000 0.807 41 T N 4.756 119.037 114.554 -0.454 0.000 2.934 41 T HA 0.166 4.516 4.350 -0.000 0.000 0.306 41 T C 0.475 174.809 174.700 -0.609 0.000 1.042 41 T CA 0.458 62.328 62.100 -0.384 0.000 1.145 41 T CB -0.213 68.490 68.868 -0.275 0.000 0.982 41 T HN 0.285 nan 8.240 nan 0.000 0.544 42 M N 2.431 121.816 119.600 -0.357 0.000 2.321 42 M HA 0.622 5.102 4.480 -0.000 0.000 0.315 42 M C 0.532 176.849 176.300 0.029 0.000 1.052 42 M CA -0.509 54.597 55.300 -0.323 0.000 0.936 42 M CB 2.363 34.728 32.600 -0.392 0.000 1.639 42 M HN 0.908 nan 8.290 nan 0.000 0.433 43 G N 1.600 110.525 108.800 0.208 0.000 2.450 43 G HA2 0.410 4.370 3.960 -0.000 0.000 0.273 43 G HA3 0.410 4.370 3.960 -0.000 0.000 0.273 43 G C -2.921 172.358 174.900 0.632 0.000 1.221 43 G CA -0.610 44.832 45.100 0.569 0.000 0.900 43 G HN 0.711 nan 8.290 nan 0.000 0.483 44 W N -0.127 121.432 121.300 0.432 0.000 2.883 44 W HA 0.768 5.428 4.660 -0.000 0.000 0.335 44 W C -1.788 174.945 176.519 0.356 0.000 1.083 44 W CA -0.943 56.566 57.345 0.273 0.000 1.233 44 W CB 2.098 31.603 29.460 0.076 0.000 1.412 44 W HN 0.540 nan 8.180 nan 0.000 0.490 45 L N 6.270 127.331 121.223 -0.271 0.000 2.436 45 L HA 0.297 4.637 4.340 -0.000 0.000 0.268 45 L C 1.215 177.657 176.870 -0.714 0.000 0.974 45 L CA -0.506 54.188 54.840 -0.243 0.000 0.826 45 L CB 1.275 43.246 42.059 -0.147 0.000 1.291 45 L HN 0.739 nan 8.230 nan 0.000 0.406 46 H N 3.573 122.408 119.070 -0.392 0.000 2.495 46 H HA -0.123 4.433 4.556 -0.000 0.000 0.287 46 H C 1.293 176.632 175.328 0.018 0.000 1.033 46 H CA 1.079 56.932 56.048 -0.326 0.000 1.307 46 H CB -0.036 29.846 29.762 0.200 0.000 1.401 46 H HN 0.835 nan 8.280 nan 0.000 0.555 47 W N 2.416 123.408 121.300 -0.513 0.000 2.315 47 W HA -0.210 4.450 4.660 -0.000 0.000 0.323 47 W C 2.250 178.706 176.519 -0.105 0.000 1.233 47 W CA 1.895 59.014 57.345 -0.376 0.000 1.267 47 W CB -0.091 29.182 29.460 -0.313 0.000 1.160 47 W HN 0.281 nan 8.180 nan 0.000 0.474 48 E N 0.786 120.897 120.200 -0.148 0.000 2.051 48 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 48 E C 2.137 178.585 176.600 -0.252 0.000 0.991 48 E CA 1.601 57.882 56.400 -0.200 0.000 0.799 48 E CB -0.323 29.340 29.700 -0.061 0.000 0.748 48 E HN 0.104 nan 8.360 nan 0.000 0.449 49 R N -0.864 119.505 120.500 -0.217 0.000 2.093 49 R HA -0.003 4.336 4.340 -0.000 0.000 0.224 49 R C 1.976 177.979 176.300 -0.495 0.000 1.101 49 R CA 1.327 57.227 56.100 -0.332 0.000 0.979 49 R CB -0.485 29.597 30.300 -0.364 0.000 0.877 49 R HN 0.160 nan 8.270 nan 0.000 0.441 50 F N -0.723 119.197 119.950 -0.050 0.000 2.694 50 F HA 0.342 4.869 4.527 -0.000 0.000 0.292 50 F C 1.077 176.834 175.800 -0.072 0.000 1.121 50 F CA 0.159 58.168 58.000 0.015 0.000 1.352 50 F CB 0.216 39.293 39.000 0.129 0.000 1.107 50 F HN -0.168 nan 8.300 nan 0.000 0.597 51 M N -1.047 118.437 119.600 -0.193 0.000 7.319 51 M HA -0.382 4.098 4.480 -0.000 0.000 0.254 51 M C 0.422 176.560 176.300 -0.270 0.000 0.480 51 M CA 1.227 56.025 55.300 -0.837 0.000 1.311 51 M CB -1.639 30.614 32.600 -0.578 0.000 0.421 51 M HN 0.165 nan 8.290 nan 0.000 0.651 52 c N 2.776 121.313 118.600 -0.105 0.000 2.508 52 c HA 0.370 4.940 4.570 -0.000 0.000 0.330 52 c C 0.235 174.435 174.090 0.182 0.000 1.435 52 c CA -0.481 55.999 56.329 0.252 0.000 1.712 52 c CB -1.788 40.960 42.510 0.398 0.000 2.741 52 c HN 0.493 nan 8.230 nan 0.000 0.562 53 N N 1.363 120.146 118.700 0.139 0.000 2.405 53 N HA 0.208 4.948 4.740 -0.000 0.000 0.260 53 N C 0.537 176.119 175.510 0.121 0.000 1.152 53 N CA 0.148 53.265 53.050 0.111 0.000 0.948 53 N CB 0.505 39.053 38.487 0.103 0.000 1.111 53 N HN 0.617 nan 8.380 nan 0.000 0.485 54 L N 1.205 122.500 121.223 0.120 0.000 2.640 54 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 54 L C 0.485 177.402 176.870 0.077 0.000 1.123 54 L CA -0.091 54.819 54.840 0.116 0.000 0.900 54 L CB 0.064 42.215 42.059 0.154 0.000 1.146 54 L HN 0.327 nan 8.230 nan 0.000 0.484 55 D N -0.080 120.358 120.400 0.062 0.000 2.608 55 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 55 D C 0.987 177.304 176.300 0.027 0.000 1.123 55 D CA -0.027 53.998 54.000 0.041 0.000 1.030 55 D CB 0.270 41.091 40.800 0.035 0.000 1.093 55 D HN 0.141 nan 8.370 nan 0.000 0.497 56 c N 1.490 120.102 118.600 0.020 0.000 2.500 56 c HA 0.013 4.583 4.570 -0.000 0.000 0.273 56 c C 2.314 176.403 174.090 -0.002 0.000 1.428 56 c CA -0.140 56.189 56.329 0.001 0.000 1.766 56 c CB -0.409 42.092 42.510 -0.014 0.000 1.817 56 c HN 0.602 nan 8.230 nan 0.000 0.543 57 Q N 0.864 120.667 119.800 0.005 0.000 2.062 57 Q HA -0.075 4.264 4.340 -0.000 0.000 0.196 57 Q C 2.049 178.051 176.000 0.002 0.000 0.967 57 Q CA 1.429 57.233 55.803 0.003 0.000 0.832 57 Q CB -0.057 28.685 28.738 0.006 0.000 0.899 57 Q HN 0.609 nan 8.270 nan 0.000 0.442 58 E N 0.326 120.530 120.200 0.006 0.000 2.250 58 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 58 E C -0.012 176.591 176.600 0.005 0.000 0.986 58 E CA 0.494 56.897 56.400 0.004 0.000 0.849 58 E CB 0.457 30.160 29.700 0.005 0.000 0.797 58 E HN 0.401 nan 8.360 nan 0.000 0.482 59 E N 1.178 121.384 120.200 0.010 0.000 3.651 59 E HA 0.134 4.484 4.350 -0.000 0.000 0.220 59 E C -2.100 174.509 176.600 0.014 0.000 1.222 59 E CA -1.257 55.153 56.400 0.017 0.000 1.114 59 E CB 1.215 30.930 29.700 0.026 0.000 1.278 59 E HN 0.011 nan 8.360 nan 0.000 0.412 60 P HA -0.121 nan 4.420 nan 0.000 0.223 60 P C 0.452 177.736 177.300 -0.027 0.000 1.151 60 P CA 0.943 64.033 63.100 -0.018 0.000 0.787 60 P CB 0.443 32.131 31.700 -0.021 0.000 0.788 61 D N -0.577 119.823 120.400 0.001 0.000 2.333 61 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 61 D C 1.659 177.981 176.300 0.037 0.000 0.984 61 D CA 1.065 55.071 54.000 0.009 0.000 0.873 61 D CB 0.107 40.936 40.800 0.048 0.000 0.935 61 D HN 0.314 nan 8.370 nan 0.000 0.521 62 S N -0.486 115.264 115.700 0.083 0.000 2.666 62 S HA 0.060 4.530 4.470 -0.000 0.000 0.239 62 S C 1.084 175.772 174.600 0.147 0.000 1.031 62 S CA -0.614 57.718 58.200 0.221 0.000 1.015 62 S CB -0.754 62.649 63.200 0.338 0.000 0.981 62 S HN 0.305 nan 8.310 nan 0.000 0.547 63 c N 2.367 120.988 118.600 0.036 0.000 2.700 63 c HA 0.605 5.175 4.570 -0.000 0.000 0.397 63 c C 0.696 174.753 174.090 -0.056 0.000 1.301 63 c CA -1.259 55.083 56.329 0.020 0.000 2.219 63 c CB -0.901 41.615 42.510 0.010 0.000 2.699 63 c HN 0.453 nan 8.230 nan 0.000 0.669 64 I N 4.438 125.008 120.570 0.000 0.000 2.389 64 I HA 0.293 4.463 4.170 -0.000 0.000 0.295 64 I C 0.840 176.963 176.117 0.009 0.000 1.117 64 I CA 1.063 62.369 61.300 0.010 0.000 1.317 64 I CB -1.147 36.928 38.000 0.124 0.000 1.431 64 I HN 1.033 nan 8.210 nan 0.000 0.521 65 S N 3.474 119.050 115.700 -0.206 0.000 2.607 65 S HA 0.361 4.831 4.470 -0.000 0.000 0.273 65 S C 0.728 174.904 174.600 -0.707 0.000 1.148 65 S CA -0.786 57.043 58.200 -0.618 0.000 0.833 65 S CB 2.259 65.249 63.200 -0.351 0.000 1.130 65 S HN 0.585 nan 8.310 nan 0.000 0.470 66 E N 1.191 120.780 120.200 -1.018 0.000 2.070 66 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 66 E C 1.764 178.245 176.600 -0.198 0.000 1.004 66 E CA 1.674 57.805 56.400 -0.448 0.000 0.805 66 E CB -0.193 29.327 29.700 -0.299 0.000 0.744 66 E HN 0.667 nan 8.360 nan 0.000 0.451 67 K N 0.145 120.404 120.400 -0.235 0.000 2.044 67 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 67 K C 2.351 178.821 176.600 -0.216 0.000 1.049 67 K CA 1.425 57.595 56.287 -0.195 0.000 0.927 67 K CB -0.270 32.127 32.500 -0.172 0.000 0.713 67 K HN 0.155 nan 8.250 nan 0.000 0.443 68 L N 0.614 121.664 121.223 -0.289 0.000 2.013 68 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 68 L C 1.977 178.541 176.870 -0.509 0.000 1.073 68 L CA 1.820 56.380 54.840 -0.466 0.000 0.753 68 L CB -0.532 41.119 42.059 -0.680 0.000 0.890 68 L HN 0.152 nan 8.230 nan 0.000 0.432 69 F N -1.257 118.567 119.950 -0.209 0.000 2.234 69 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 69 F C 2.362 178.101 175.800 -0.103 0.000 1.087 69 F CA 1.288 59.211 58.000 -0.128 0.000 1.340 69 F CB -0.577 38.436 39.000 0.021 0.000 1.031 69 F HN 0.058 nan 8.300 nan 0.000 0.500 70 M N -0.275 119.334 119.600 0.015 0.000 2.117 70 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 70 M C 2.078 178.368 176.300 -0.016 0.000 1.065 70 M CA 1.743 57.029 55.300 -0.024 0.000 1.114 70 M CB -0.468 31.965 32.600 -0.279 0.000 1.361 70 M HN 0.127 nan 8.290 nan 0.000 0.408 71 E N -0.150 119.972 120.200 -0.130 0.000 2.077 71 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 71 E C 2.046 178.527 176.600 -0.198 0.000 0.989 71 E CA 1.173 57.484 56.400 -0.149 0.000 0.800 71 E CB -0.028 29.561 29.700 -0.184 0.000 0.746 71 E HN 0.395 nan 8.360 nan 0.000 0.452 72 M N 0.348 119.743 119.600 -0.342 0.000 2.117 72 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 72 M C 2.484 178.615 176.300 -0.281 0.000 1.065 72 M CA 1.324 56.320 55.300 -0.506 0.000 1.114 72 M CB -1.238 30.746 32.600 -1.026 0.000 1.361 72 M HN 0.117 nan 8.290 nan 0.000 0.408 73 A N 0.248 123.004 122.820 -0.108 0.000 1.908 73 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 73 A C 2.133 179.721 177.584 0.006 0.000 1.181 73 A CA 2.051 54.092 52.037 0.006 0.000 0.627 73 A CB -0.810 18.277 19.000 0.145 0.000 0.818 73 A HN 0.581 nan 8.150 nan 0.000 0.445 74 E N -0.362 119.860 120.200 0.037 0.000 2.077 74 E HA -0.141 4.208 4.350 -0.000 0.000 0.193 74 E C 1.932 178.543 176.600 0.019 0.000 0.989 74 E CA 1.283 57.705 56.400 0.036 0.000 0.800 74 E CB -0.264 29.467 29.700 0.051 0.000 0.746 74 E HN 0.634 nan 8.360 nan 0.000 0.452 75 L N 0.063 121.280 121.223 -0.009 0.000 2.156 75 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 75 L C 2.434 179.411 176.870 0.178 0.000 1.095 75 L CA 0.663 55.531 54.840 0.046 0.000 0.770 75 L CB -0.201 41.848 42.059 -0.016 0.000 0.914 75 L HN 0.212 nan 8.230 nan 0.000 0.439 76 M N -1.060 118.597 119.600 0.094 0.000 2.149 76 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 76 M C 2.169 178.608 176.300 0.231 0.000 1.064 76 M CA 1.413 56.844 55.300 0.217 0.000 1.102 76 M CB -0.237 32.414 32.600 0.085 0.000 1.369 76 M HN 0.094 nan 8.290 nan 0.000 0.408 77 V N -0.534 119.450 119.914 0.116 0.000 2.273 77 V HA -0.183 3.937 4.120 -0.000 0.000 0.242 77 V C 2.426 178.557 176.094 0.062 0.000 1.035 77 V CA 2.029 64.373 62.300 0.073 0.000 1.013 77 V CB -0.791 31.046 31.823 0.022 0.000 0.652 77 V HN 0.583 nan 8.190 nan 0.000 0.452 78 S N -0.321 115.412 115.700 0.056 0.000 2.428 78 S HA -0.098 4.372 4.470 -0.000 0.000 0.230 78 S C 1.440 176.051 174.600 0.017 0.000 1.014 78 S CA 1.033 59.250 58.200 0.029 0.000 0.957 78 S CB -0.224 62.989 63.200 0.022 0.000 0.784 78 S HN 0.591 nan 8.310 nan 0.000 0.499 79 E N 0.719 120.951 120.200 0.053 0.000 2.451 79 E HA 0.282 4.632 4.350 -0.000 0.000 0.194 79 E C 1.076 177.510 176.600 -0.276 0.000 1.027 79 E CA 0.343 56.715 56.400 -0.046 0.000 0.914 79 E CB 0.142 29.898 29.700 0.093 0.000 1.054 79 E HN 0.670 nan 8.360 nan 0.000 0.461 80 G N 0.847 109.562 108.800 -0.141 0.000 2.148 80 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.254 80 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.254 80 G C 0.738 175.551 174.900 -0.145 0.000 0.981 80 G CA 0.534 45.535 45.100 -0.165 0.000 0.670 80 G HN 0.378 nan 8.290 nan 0.000 0.528 81 W N 0.124 121.469 121.300 0.075 0.000 2.409 81 W HA 0.144 4.804 4.660 -0.000 0.000 0.299 81 W C 2.556 179.216 176.519 0.236 0.000 1.203 81 W CA 1.451 58.892 57.345 0.160 0.000 1.298 81 W CB -0.129 29.372 29.460 0.067 0.000 1.127 81 W HN 0.309 nan 8.180 nan 0.000 0.528 82 K N 0.653 121.263 120.400 0.351 0.000 2.057 82 K HA -0.193 4.126 4.320 -0.000 0.000 0.207 82 K C 1.355 178.040 176.600 0.141 0.000 1.049 82 K CA 1.956 58.378 56.287 0.224 0.000 0.931 82 K CB -0.382 32.204 32.500 0.144 0.000 0.714 82 K HN -0.035 nan 8.250 nan 0.000 0.440 83 D N 0.455 120.914 120.400 0.098 0.000 2.149 83 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 83 D C 1.561 177.888 176.300 0.045 0.000 0.990 83 D CA 1.355 55.382 54.000 0.046 0.000 0.839 83 D CB -0.080 40.725 40.800 0.009 0.000 0.948 83 D HN 0.376 nan 8.370 nan 0.000 0.460 84 A N -0.869 122.005 122.820 0.090 0.000 2.169 84 A HA 0.395 4.715 4.320 -0.000 0.000 0.212 84 A C 1.833 179.415 177.584 -0.004 0.000 1.153 84 A CA 1.435 53.519 52.037 0.077 0.000 0.756 84 A CB 0.125 19.228 19.000 0.173 0.000 0.813 84 A HN 0.302 nan 8.150 nan 0.000 0.471 85 G N -2.704 106.106 108.800 0.017 0.000 2.296 85 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.188 85 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.188 85 G C -0.077 174.770 174.900 -0.089 0.000 1.000 85 G CA -0.166 44.883 45.100 -0.086 0.000 0.672 85 G HN 0.315 nan 8.290 nan 0.000 0.483 86 Y N 1.582 121.981 120.300 0.166 0.000 2.674 86 Y HA 0.469 5.019 4.550 -0.000 0.000 0.354 86 Y C 1.441 177.454 175.900 0.187 0.000 1.089 86 Y CA 0.692 58.911 58.100 0.199 0.000 1.444 86 Y CB 1.043 39.669 38.460 0.278 0.000 1.187 86 Y HN 0.291 nan 8.280 nan 0.000 0.523 87 E N 1.678 122.046 120.200 0.280 0.000 2.372 87 E HA 0.086 4.436 4.350 -0.000 0.000 0.201 87 E C -0.952 175.697 176.600 0.083 0.000 0.938 87 E CA 0.330 56.810 56.400 0.133 0.000 0.944 87 E CB 0.223 29.937 29.700 0.024 0.000 0.937 87 E HN 0.542 nan 8.360 nan 0.000 0.495 88 Y N 0.811 121.277 120.300 0.276 0.000 2.404 88 Y HA 0.340 4.890 4.550 -0.000 0.000 0.344 88 Y C -0.489 175.656 175.900 0.409 0.000 0.970 88 Y CA -1.071 57.232 58.100 0.339 0.000 1.180 88 Y CB 1.054 39.769 38.460 0.425 0.000 1.138 88 Y HN -0.001 nan 8.280 nan 0.000 0.510 89 L N 5.069 126.552 121.223 0.434 0.000 2.261 89 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 89 L C -1.017 176.140 176.870 0.479 0.000 1.059 89 L CA -0.274 54.850 54.840 0.473 0.000 0.816 89 L CB -0.167 42.087 42.059 0.324 0.000 1.191 89 L HN 0.687 nan 8.230 nan 0.000 0.431 90 C N 5.966 125.621 119.300 0.591 0.000 2.345 90 C HA 0.540 5.000 4.460 -0.000 0.000 0.323 90 C C 0.285 175.563 174.990 0.479 0.000 1.276 90 C CA -1.226 58.030 59.018 0.396 0.000 1.543 90 C CB 0.542 28.435 27.740 0.255 0.000 2.211 90 C HN 0.703 nan 8.230 nan 0.000 0.493 91 I N 3.111 123.785 120.570 0.173 0.000 2.395 91 I HA 0.209 4.379 4.170 -0.000 0.000 0.289 91 I C 0.689 176.981 176.117 0.292 0.000 1.023 91 I CA 0.526 61.935 61.300 0.182 0.000 1.350 91 I CB 0.395 38.141 38.000 -0.424 0.000 1.409 91 I HN 0.695 nan 8.210 nan 0.000 0.507 92 D N 3.759 124.433 120.400 0.458 0.000 2.466 92 D HA 0.097 4.737 4.640 -0.000 0.000 0.271 92 D C -0.393 175.953 176.300 0.076 0.000 1.193 92 D CA -0.378 53.662 54.000 0.066 0.000 1.103 92 D CB 0.936 41.560 40.800 -0.293 0.000 1.184 92 D HN 0.420 nan 8.370 nan 0.000 0.593 93 D N -0.944 119.106 120.400 -0.584 0.000 2.361 93 D HA 0.046 4.686 4.640 -0.000 0.000 0.239 93 D C 0.112 176.565 176.300 0.255 0.000 1.200 93 D CA 0.178 53.869 54.000 -0.515 0.000 0.915 93 D CB 0.366 40.659 40.800 -0.845 0.000 1.170 93 D HN 0.533 nan 8.370 nan 0.000 0.444 94 c N 1.613 120.261 118.600 0.080 0.000 4.584 94 c HA -0.108 4.462 4.570 -0.000 0.000 0.288 94 c C 1.464 175.525 174.090 -0.047 0.000 1.284 94 c CA 0.021 56.323 56.329 -0.046 0.000 2.038 94 c CB -2.485 40.228 42.510 0.339 0.000 1.246 94 c HN 0.767 nan 8.230 nan 0.000 0.765 95 W N -1.311 119.867 121.300 -0.204 0.000 2.907 95 W HA 0.465 5.125 4.660 -0.000 0.000 0.271 95 W C 0.698 176.947 176.519 -0.449 0.000 1.253 95 W CA -0.321 56.813 57.345 -0.352 0.000 1.501 95 W CB -0.697 28.443 29.460 -0.533 0.000 1.047 95 W HN 0.336 nan 8.180 nan 0.000 0.610 96 M N 2.059 120.911 119.600 -1.246 0.000 2.243 96 M HA 0.368 4.848 4.480 -0.000 0.000 0.341 96 M C 0.759 176.687 176.300 -0.621 0.000 1.130 96 M CA -0.008 54.596 55.300 -1.162 0.000 1.162 96 M CB 1.029 32.936 32.600 -1.155 0.000 1.497 96 M HN -0.090 nan 8.290 nan 0.000 0.456 97 A N 3.382 126.018 122.820 -0.306 0.000 2.425 97 A HA 0.291 4.611 4.320 -0.000 0.000 0.242 97 A C -1.781 175.809 177.584 0.010 0.000 1.077 97 A CA -1.272 50.708 52.037 -0.096 0.000 0.781 97 A CB -0.488 18.493 19.000 -0.032 0.000 1.020 97 A HN 0.643 nan 8.150 nan 0.000 0.494 98 P HA -0.118 nan 4.420 nan 0.000 0.218 98 P C 0.090 177.428 177.300 0.064 0.000 1.146 98 P CA 1.483 64.691 63.100 0.180 0.000 0.813 98 P CB 0.122 31.886 31.700 0.107 0.000 0.778 99 Q N -1.720 118.088 119.800 0.014 0.000 2.456 99 Q HA 0.369 4.709 4.340 -0.000 0.000 0.283 99 Q C -0.507 175.463 176.000 -0.050 0.000 1.084 99 Q CA -1.021 54.765 55.803 -0.028 0.000 0.801 99 Q CB 1.471 30.196 28.738 -0.022 0.000 1.434 99 Q HN -0.022 nan 8.270 nan 0.000 0.419 100 R N 0.794 121.240 120.500 -0.090 0.000 2.738 100 R HA 0.134 4.474 4.340 -0.000 0.000 0.268 100 R C 0.148 176.421 176.300 -0.044 0.000 1.062 100 R CA 0.166 56.205 56.100 -0.101 0.000 1.158 100 R CB 0.148 30.326 30.300 -0.203 0.000 1.046 100 R HN 0.787 nan 8.270 nan 0.000 0.493 101 D N -0.349 120.041 120.400 -0.017 0.000 2.356 101 D HA -0.064 4.576 4.640 -0.000 0.000 0.258 101 D C 0.658 176.958 176.300 0.002 0.000 1.279 101 D CA -0.255 53.750 54.000 0.009 0.000 1.016 101 D CB 0.195 41.019 40.800 0.040 0.000 1.107 101 D HN 0.408 nan 8.370 nan 0.000 0.544 102 S N -1.642 114.066 115.700 0.012 0.000 2.555 102 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 102 S C 0.897 175.504 174.600 0.011 0.000 0.978 102 S CA 0.458 58.664 58.200 0.011 0.000 0.934 102 S CB -0.397 62.811 63.200 0.013 0.000 0.766 102 S HN 0.482 nan 8.310 nan 0.000 0.533 103 E N 0.767 120.974 120.200 0.011 0.000 2.481 103 E HA 0.385 4.735 4.350 -0.000 0.000 0.198 103 E C 1.172 177.778 176.600 0.010 0.000 1.027 103 E CA 0.385 56.791 56.400 0.010 0.000 0.900 103 E CB 0.176 29.881 29.700 0.009 0.000 0.993 103 E HN 0.520 nan 8.360 nan 0.000 0.482 104 G N 1.422 110.223 108.800 0.003 0.000 2.136 104 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.242 104 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.242 104 G C 0.048 174.895 174.900 -0.088 0.000 0.989 104 G CA 0.030 45.130 45.100 -0.001 0.000 0.682 104 G HN 0.173 nan 8.290 nan 0.000 0.522 105 R N -0.657 119.795 120.500 -0.080 0.000 2.486 105 R HA 0.642 4.982 4.340 -0.000 0.000 0.286 105 R C 0.904 177.154 176.300 -0.084 0.000 0.999 105 R CA -0.895 55.138 56.100 -0.113 0.000 0.993 105 R CB 1.012 31.268 30.300 -0.074 0.000 1.084 105 R HN 0.214 nan 8.270 nan 0.000 0.487 106 L N 2.930 124.099 121.223 -0.089 0.000 2.485 106 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 106 L C 0.474 177.547 176.870 0.338 0.000 1.207 106 L CA 0.519 55.401 54.840 0.069 0.000 0.855 106 L CB 0.106 42.276 42.059 0.185 0.000 1.114 106 L HN 0.583 nan 8.230 nan 0.000 0.485 107 Q N 2.634 122.583 119.800 0.249 0.000 2.397 107 Q HA 0.753 5.093 4.340 -0.000 0.000 0.275 107 Q C -1.133 174.972 176.000 0.174 0.000 1.090 107 Q CA -1.063 54.928 55.803 0.313 0.000 0.809 107 Q CB 2.086 30.926 28.738 0.170 0.000 1.362 107 Q HN 0.606 nan 8.270 nan 0.000 0.431 108 A N 1.621 124.575 122.820 0.223 0.000 2.386 108 A HA 0.154 4.474 4.320 -0.000 0.000 0.248 108 A C -0.297 177.315 177.584 0.046 0.000 1.082 108 A CA -0.037 52.070 52.037 0.116 0.000 0.789 108 A CB 0.117 19.093 19.000 -0.041 0.000 1.025 108 A HN 0.899 nan 8.150 nan 0.000 0.490 109 D N 1.569 121.998 120.400 0.048 0.000 2.487 109 D HA 0.144 4.783 4.640 -0.000 0.000 0.243 109 D C -1.184 175.201 176.300 0.141 0.000 1.154 109 D CA -0.795 53.260 54.000 0.092 0.000 0.876 109 D CB 0.840 41.722 40.800 0.137 0.000 1.161 109 D HN 0.222 nan 8.370 nan 0.000 0.478 110 P HA -0.140 nan 4.420 nan 0.000 0.221 110 P C 0.739 178.056 177.300 0.028 0.000 1.150 110 P CA 1.124 64.253 63.100 0.048 0.000 0.800 110 P CB 0.357 32.074 31.700 0.028 0.000 0.787 111 Q N -0.460 119.362 119.800 0.037 0.000 2.165 111 Q HA 0.080 4.420 4.340 -0.000 0.000 0.197 111 Q C 2.388 178.383 176.000 -0.008 0.000 0.952 111 Q CA 1.187 56.993 55.803 0.006 0.000 0.848 111 Q CB -0.302 28.443 28.738 0.012 0.000 0.931 111 Q HN 0.216 nan 8.270 nan 0.000 0.470 112 R N -1.117 119.409 120.500 0.044 0.000 2.173 112 R HA 0.131 4.470 4.340 -0.000 0.000 0.208 112 R C -0.109 176.047 176.300 -0.240 0.000 1.035 112 R CA 0.516 56.589 56.100 -0.045 0.000 1.004 112 R CB 0.401 30.738 30.300 0.063 0.000 0.917 112 R HN 0.125 nan 8.270 nan 0.000 0.462 113 F N 0.976 120.919 119.950 -0.011 0.000 2.523 113 F HA 0.290 4.817 4.527 -0.000 0.000 0.322 113 F C -1.668 174.090 175.800 -0.072 0.000 1.361 113 F CA -2.100 55.887 58.000 -0.023 0.000 1.151 113 F CB 1.614 40.612 39.000 -0.003 0.000 1.391 113 F HN -0.146 nan 8.300 nan 0.000 0.566 114 P HA -0.158 nan 4.420 nan 0.000 0.220 114 P C 0.796 177.944 177.300 -0.253 0.000 1.148 114 P CA 1.711 64.701 63.100 -0.184 0.000 0.803 114 P CB 0.098 31.598 31.700 -0.333 0.000 0.782 115 H N -1.228 117.844 119.070 0.003 0.000 2.563 115 H HA 0.356 4.912 4.556 -0.000 0.000 0.264 115 H C 1.234 176.539 175.328 -0.038 0.000 0.957 115 H CA 0.634 56.671 56.048 -0.018 0.000 1.173 115 H CB -0.115 29.624 29.762 -0.037 0.000 1.420 115 H HN 0.208 nan 8.280 nan 0.000 0.551 116 G N 0.306 109.132 108.800 0.043 0.000 2.746 116 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.685 116 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.685 116 G C 0.418 175.172 174.900 -0.242 0.000 1.350 116 G CA -0.258 44.772 45.100 -0.116 0.000 0.837 116 G HN 0.092 nan 8.290 nan 0.000 0.564 117 I N 0.455 120.642 120.570 -0.638 0.000 2.286 117 I HA -0.026 4.144 4.170 -0.000 0.000 0.245 117 I C 2.884 178.719 176.117 -0.471 0.000 1.104 117 I CA 1.804 62.683 61.300 -0.700 0.000 1.397 117 I CB -1.013 36.267 38.000 -1.200 0.000 1.072 117 I HN 0.765 nan 8.210 nan 0.000 0.417 118 R N 0.798 120.977 120.500 -0.536 0.000 2.096 118 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 118 R C 2.248 178.507 176.300 -0.067 0.000 1.139 118 R CA 1.593 57.614 56.100 -0.131 0.000 0.952 118 R CB -0.009 30.313 30.300 0.036 0.000 0.854 118 R HN 0.385 nan 8.270 nan 0.000 0.436 119 Q N 0.274 120.031 119.800 -0.072 0.000 2.124 119 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 119 Q C 2.123 178.109 176.000 -0.023 0.000 0.977 119 Q CA 0.992 56.780 55.803 -0.025 0.000 0.850 119 Q CB -0.230 28.511 28.738 0.006 0.000 0.901 119 Q HN 0.281 nan 8.270 nan 0.000 0.429 120 L N 0.615 121.811 121.223 -0.046 0.000 2.056 120 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 120 L C 2.123 178.971 176.870 -0.038 0.000 1.078 120 L CA 1.975 56.810 54.840 -0.009 0.000 0.749 120 L CB -0.836 41.213 42.059 -0.017 0.000 0.901 120 L HN 0.101 nan 8.230 nan 0.000 0.433 121 A N -0.499 122.233 122.820 -0.146 0.000 1.933 121 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 121 A C 2.055 179.363 177.584 -0.459 0.000 1.175 121 A CA 1.686 53.513 52.037 -0.350 0.000 0.628 121 A CB -0.755 18.093 19.000 -0.254 0.000 0.814 121 A HN 0.576 nan 8.150 nan 0.000 0.444 122 N N -1.070 117.545 118.700 -0.142 0.000 2.061 122 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 122 N C 1.574 177.086 175.510 0.004 0.000 1.030 122 N CA 1.913 54.954 53.050 -0.014 0.000 0.856 122 N CB -0.746 37.765 38.487 0.039 0.000 1.023 122 N HN 0.689 nan 8.380 nan 0.000 0.424 123 Y N 1.645 121.888 120.300 -0.095 0.000 2.145 123 Y HA -0.144 4.405 4.550 -0.000 0.000 0.286 123 Y C 2.246 178.113 175.900 -0.055 0.000 1.145 123 Y CA 1.204 59.264 58.100 -0.066 0.000 1.148 123 Y CB -0.489 37.928 38.460 -0.072 0.000 0.981 123 Y HN -0.174 nan 8.280 nan 0.000 0.507 124 V N 0.520 120.346 119.914 -0.146 0.000 2.343 124 V HA -0.363 3.757 4.120 -0.000 0.000 0.247 124 V C 2.155 178.176 176.094 -0.121 0.000 1.051 124 V CA 2.517 64.709 62.300 -0.180 0.000 1.036 124 V CB -0.913 30.862 31.823 -0.080 0.000 0.654 124 V HN 0.566 nan 8.190 nan 0.000 0.451 125 H N 0.324 119.348 119.070 -0.077 0.000 2.387 125 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 125 H C 2.506 177.777 175.328 -0.095 0.000 1.090 125 H CA 1.393 57.401 56.048 -0.066 0.000 1.332 125 H CB -0.073 29.675 29.762 -0.024 0.000 1.386 125 H HN 0.592 nan 8.280 nan 0.000 0.516 126 S N 0.697 116.388 115.700 -0.015 0.000 2.442 126 S HA -0.096 4.373 4.470 -0.000 0.000 0.236 126 S C 1.680 176.201 174.600 -0.131 0.000 1.007 126 S CA 0.855 59.012 58.200 -0.073 0.000 0.965 126 S CB 0.041 63.186 63.200 -0.092 0.000 0.773 126 S HN 0.199 nan 8.310 nan 0.000 0.504 127 K N 0.892 121.168 120.400 -0.206 0.000 2.444 127 K HA 0.257 4.576 4.320 -0.000 0.000 0.193 127 K C 1.383 177.936 176.600 -0.079 0.000 1.024 127 K CA 0.563 56.741 56.287 -0.182 0.000 1.077 127 K CB -0.569 31.765 32.500 -0.277 0.000 0.833 127 K HN 0.611 nan 8.250 nan 0.000 0.517 128 G N 1.464 110.238 108.800 -0.043 0.000 2.143 128 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 128 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 128 G C 0.036 174.930 174.900 -0.010 0.000 0.991 128 G CA 0.323 45.411 45.100 -0.019 0.000 0.689 128 G HN 0.233 nan 8.290 nan 0.000 0.522 129 L N -1.335 119.890 121.223 0.004 0.000 2.298 129 L HA 0.773 5.113 4.340 -0.000 0.000 0.268 129 L C 0.599 177.495 176.870 0.043 0.000 1.010 129 L CA -1.195 53.649 54.840 0.007 0.000 0.812 129 L CB 1.386 43.459 42.059 0.024 0.000 1.331 129 L HN -0.002 nan 8.230 nan 0.000 0.450 130 K N 0.715 121.086 120.400 -0.048 0.000 2.267 130 K HA 0.581 4.901 4.320 -0.000 0.000 0.246 130 K C -1.522 175.138 176.600 0.100 0.000 0.954 130 K CA -0.823 55.447 56.287 -0.029 0.000 0.824 130 K CB 2.426 34.635 32.500 -0.486 0.000 1.167 130 K HN 0.168 nan 8.250 nan 0.000 0.431 131 L N 1.476 122.801 121.223 0.170 0.000 2.287 131 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 131 L C -0.273 176.714 176.870 0.196 0.000 1.022 131 L CA 0.166 55.087 54.840 0.135 0.000 0.814 131 L CB 1.256 43.309 42.059 -0.009 0.000 1.217 131 L HN 0.723 nan 8.230 nan 0.000 0.420 132 G N 5.026 113.956 108.800 0.216 0.000 2.389 132 G HA2 0.612 4.572 3.960 -0.000 0.000 0.317 132 G HA3 0.612 4.572 3.960 -0.000 0.000 0.317 132 G C -1.037 173.844 174.900 -0.033 0.000 1.137 132 G CA -0.364 44.828 45.100 0.153 0.000 0.870 132 G HN 0.707 nan 8.290 nan 0.000 0.496 133 I N -0.484 120.009 120.570 -0.129 0.000 3.457 133 I HA 0.735 4.905 4.170 -0.000 0.000 0.307 133 I C -1.739 174.332 176.117 -0.077 0.000 1.138 133 I CA -1.572 59.560 61.300 -0.280 0.000 0.974 133 I CB 2.629 40.281 38.000 -0.579 0.000 1.324 133 I HN 0.536 nan 8.210 nan 0.000 0.485 134 Y N 2.413 122.661 120.300 -0.088 0.000 2.457 134 Y HA 0.800 5.349 4.550 -0.000 0.000 0.343 134 Y C -0.974 175.187 175.900 0.434 0.000 0.994 134 Y CA -0.333 57.880 58.100 0.187 0.000 1.031 134 Y CB 1.641 40.240 38.460 0.232 0.000 1.246 134 Y HN 0.666 nan 8.280 nan 0.000 0.449 135 A N 4.100 126.886 122.820 -0.057 0.000 2.552 135 A HA 0.605 4.925 4.320 -0.000 0.000 0.288 135 A C -2.014 175.398 177.584 -0.287 0.000 1.193 135 A CA -0.710 51.428 52.037 0.169 0.000 0.713 135 A CB 1.914 21.322 19.000 0.680 0.000 1.305 135 A HN 0.711 nan 8.150 nan 0.000 0.424 136 D N -0.537 119.765 120.400 -0.163 0.000 2.738 136 D HA 0.320 4.960 4.640 -0.000 0.000 0.237 136 D C 0.195 176.092 176.300 -0.671 0.000 1.123 136 D CA -0.338 53.346 54.000 -0.528 0.000 0.856 136 D CB 2.513 43.191 40.800 -0.203 0.000 1.552 136 D HN 0.229 nan 8.370 nan 0.000 0.480 137 V N 3.115 122.354 119.914 -1.126 0.000 2.809 137 V HA 0.106 4.226 4.120 -0.000 0.000 0.256 137 V C 1.223 177.229 176.094 -0.148 0.000 1.080 137 V CA 1.912 63.760 62.300 -0.753 0.000 1.102 137 V CB -0.136 31.007 31.823 -1.133 0.000 0.705 137 V HN 0.572 nan 8.190 nan 0.000 0.475 138 G N -0.885 107.799 108.800 -0.193 0.000 2.574 138 G HA2 0.088 4.048 3.960 -0.000 0.000 0.248 138 G HA3 0.088 4.048 3.960 -0.000 0.000 0.248 138 G C 0.593 175.496 174.900 0.006 0.000 1.422 138 G CA 0.062 45.110 45.100 -0.086 0.000 1.051 138 G HN 0.280 nan 8.290 nan 0.000 0.560 139 N N -0.362 118.325 118.700 -0.021 0.000 2.416 139 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 139 N C 0.275 175.748 175.510 -0.063 0.000 1.036 139 N CA 0.822 53.864 53.050 -0.013 0.000 0.901 139 N CB 0.250 38.696 38.487 -0.068 0.000 0.976 139 N HN 0.344 nan 8.380 nan 0.000 0.444 140 K N -0.516 119.838 120.400 -0.077 0.000 2.536 140 K HA 0.221 4.541 4.320 -0.000 0.000 0.269 140 K C -0.380 176.269 176.600 0.082 0.000 0.965 140 K CA -0.645 55.567 56.287 -0.125 0.000 0.860 140 K CB 2.055 34.245 32.500 -0.517 0.000 1.423 140 K HN -0.077 nan 8.250 nan 0.000 0.438 141 T N -2.385 112.247 114.554 0.129 0.000 2.748 141 T HA 0.020 4.370 4.350 -0.000 0.000 0.304 141 T C 1.346 176.241 174.700 0.325 0.000 1.041 141 T CA -0.432 61.828 62.100 0.267 0.000 1.033 141 T CB 0.451 69.578 68.868 0.431 0.000 0.995 141 T HN 0.679 nan 8.240 nan 0.000 0.536 142 c N 1.042 119.826 118.600 0.307 0.000 2.410 142 c HA 0.130 4.700 4.570 -0.000 0.000 0.281 142 c C 3.034 177.280 174.090 0.260 0.000 1.318 142 c CA 0.723 57.209 56.329 0.261 0.000 1.776 142 c CB -2.014 40.579 42.510 0.139 0.000 1.942 142 c HN 0.997 nan 8.230 nan 0.000 0.508 143 A N -0.841 122.114 122.820 0.224 0.000 2.275 143 A HA 0.463 4.783 4.320 -0.000 0.000 0.212 143 A C 1.697 179.273 177.584 -0.012 0.000 1.201 143 A CA 1.155 53.317 52.037 0.208 0.000 0.843 143 A CB -0.433 18.786 19.000 0.365 0.000 0.873 143 A HN 1.155 nan 8.150 nan 0.000 0.492 144 G N -2.033 106.739 108.800 -0.046 0.000 2.148 144 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.203 144 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.203 144 G C -0.060 174.568 174.900 -0.453 0.000 0.993 144 G CA -0.055 44.863 45.100 -0.304 0.000 0.661 144 G HN 0.250 nan 8.290 nan 0.000 0.518 145 F N 0.732 120.648 119.950 -0.056 0.000 2.362 145 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 145 F C -1.617 174.116 175.800 -0.111 0.000 1.161 145 F CA -2.439 55.502 58.000 -0.098 0.000 1.085 145 F CB 0.313 39.235 39.000 -0.129 0.000 1.311 145 F HN -0.204 nan 8.300 nan 0.000 0.524 146 P HA 0.066 nan 4.420 nan 0.000 0.261 146 P C -0.138 177.159 177.300 -0.005 0.000 1.183 146 P CA 0.214 63.293 63.100 -0.035 0.000 0.761 146 P CB 0.109 31.749 31.700 -0.100 0.000 0.785 147 G N 1.549 110.339 108.800 -0.017 0.000 2.580 147 G HA2 0.257 4.217 3.960 -0.000 0.000 0.278 147 G HA3 0.257 4.217 3.960 -0.000 0.000 0.278 147 G C 0.597 175.516 174.900 0.033 0.000 1.212 147 G CA -0.381 44.733 45.100 0.022 0.000 0.939 147 G HN 0.362 nan 8.290 nan 0.000 0.513 148 S N -0.945 114.805 115.700 0.083 0.000 2.523 148 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 148 S C 0.392 174.824 174.600 -0.279 0.000 0.996 148 S CA -0.610 57.626 58.200 0.060 0.000 0.921 148 S CB -0.100 63.313 63.200 0.355 0.000 0.829 148 S HN 0.451 nan 8.310 nan 0.000 0.495 149 F N 3.071 122.822 119.950 -0.332 0.000 2.593 149 F HA 0.366 4.893 4.527 -0.000 0.000 0.393 149 F C 1.341 176.873 175.800 -0.446 0.000 1.037 149 F CA 1.069 58.758 58.000 -0.518 0.000 1.195 149 F CB -0.158 38.730 39.000 -0.187 0.000 1.034 149 F HN 0.295 nan 8.300 nan 0.000 0.552 150 G N 4.519 112.482 108.800 -1.394 0.000 2.176 150 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 150 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 150 G C 0.082 174.378 174.900 -1.007 0.000 0.979 150 G CA 0.406 44.834 45.100 -1.120 0.000 0.641 150 G HN 0.750 nan 8.290 nan 0.000 0.530 151 Y N -0.983 118.901 120.300 -0.694 0.000 2.738 151 Y HA 0.401 4.951 4.550 -0.000 0.000 0.249 151 Y C 1.894 177.571 175.900 -0.370 0.000 1.157 151 Y CA -0.654 57.188 58.100 -0.430 0.000 1.189 151 Y CB 0.103 38.380 38.460 -0.304 0.000 1.262 151 Y HN 0.184 nan 8.280 nan 0.000 0.554 152 Y N 0.538 120.706 120.300 -0.220 0.000 2.165 152 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 152 Y C 1.897 177.694 175.900 -0.173 0.000 1.155 152 Y CA 1.383 59.341 58.100 -0.237 0.000 1.164 152 Y CB -0.396 37.778 38.460 -0.477 0.000 0.978 152 Y HN 0.217 nan 8.280 nan 0.000 0.513 153 D N -0.249 120.159 120.400 0.014 0.000 2.149 153 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 153 D C 2.177 178.426 176.300 -0.084 0.000 0.972 153 D CA 1.172 55.172 54.000 0.001 0.000 0.835 153 D CB -0.040 40.782 40.800 0.037 0.000 0.966 153 D HN 0.252 nan 8.370 nan 0.000 0.476 154 I N 1.813 122.324 120.570 -0.099 0.000 2.142 154 I HA -0.211 3.958 4.170 -0.000 0.000 0.240 154 I C 1.843 177.793 176.117 -0.278 0.000 1.078 154 I CA 1.305 62.523 61.300 -0.137 0.000 1.343 154 I CB -1.137 36.834 38.000 -0.048 0.000 1.046 154 I HN -0.115 nan 8.210 nan 0.000 0.405 155 D N 1.378 121.591 120.400 -0.312 0.000 2.117 155 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 155 D C 2.325 178.098 176.300 -0.878 0.000 0.987 155 D CA 1.656 55.262 54.000 -0.657 0.000 0.829 155 D CB -0.174 40.368 40.800 -0.429 0.000 0.961 155 D HN 0.326 nan 8.370 nan 0.000 0.460 156 A N 0.634 123.228 122.820 -0.377 0.000 1.883 156 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 156 A C 2.188 179.659 177.584 -0.188 0.000 1.186 156 A CA 1.974 53.904 52.037 -0.177 0.000 0.624 156 A CB -0.720 18.224 19.000 -0.094 0.000 0.822 156 A HN 0.144 nan 8.150 nan 0.000 0.444 157 Q N -0.402 119.270 119.800 -0.214 0.000 2.124 157 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 157 Q C 2.052 177.884 176.000 -0.280 0.000 0.977 157 Q CA 2.388 58.082 55.803 -0.182 0.000 0.850 157 Q CB -0.881 27.770 28.738 -0.145 0.000 0.901 157 Q HN 0.632 nan 8.270 nan 0.000 0.429 158 T N 0.394 114.657 114.554 -0.487 0.000 2.652 158 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 158 T C 1.280 175.500 174.700 -0.799 0.000 1.039 158 T CA 1.566 63.196 62.100 -0.784 0.000 1.153 158 T CB -0.467 67.775 68.868 -1.043 0.000 0.863 158 T HN 0.212 nan 8.240 nan 0.000 0.428 159 F N 1.971 121.647 119.950 -0.457 0.000 2.095 159 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 159 F C 2.779 178.550 175.800 -0.048 0.000 1.104 159 F CA 0.361 58.245 58.000 -0.193 0.000 1.232 159 F CB -1.579 37.376 39.000 -0.075 0.000 0.987 159 F HN 0.162 nan 8.300 nan 0.000 0.475 160 A N 0.100 122.986 122.820 0.110 0.000 1.883 160 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 160 A C 2.028 179.667 177.584 0.093 0.000 1.186 160 A CA 2.081 54.174 52.037 0.094 0.000 0.624 160 A CB -0.979 18.045 19.000 0.040 0.000 0.822 160 A HN 0.303 nan 8.150 nan 0.000 0.444 161 D N -1.136 119.273 120.400 0.014 0.000 2.149 161 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 161 D C 1.504 177.937 176.300 0.221 0.000 0.990 161 D CA 0.971 55.002 54.000 0.052 0.000 0.839 161 D CB -0.331 40.438 40.800 -0.051 0.000 0.948 161 D HN 0.694 nan 8.370 nan 0.000 0.460 162 W N 0.392 121.747 121.300 0.091 0.000 2.699 162 W HA 0.216 4.876 4.660 -0.000 0.000 0.249 162 W C 1.497 178.068 176.519 0.088 0.000 1.280 162 W CA 1.134 58.528 57.345 0.082 0.000 1.345 162 W CB -0.704 28.807 29.460 0.084 0.000 1.128 162 W HN 0.137 nan 8.180 nan 0.000 0.642 163 G N 0.162 109.158 108.800 0.327 0.000 2.137 163 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 163 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 163 G C 0.058 175.147 174.900 0.316 0.000 1.002 163 G CA 0.019 45.306 45.100 0.311 0.000 0.702 163 G HN 0.007 nan 8.290 nan 0.000 0.515 164 V N 0.651 120.729 119.914 0.273 0.000 2.740 164 V HA 0.209 4.329 4.120 -0.000 0.000 0.303 164 V C 1.087 177.308 176.094 0.212 0.000 1.054 164 V CA 0.991 63.413 62.300 0.204 0.000 1.106 164 V CB 1.279 33.197 31.823 0.158 0.000 0.957 164 V HN 0.386 nan 8.190 nan 0.000 0.486 165 D N 2.960 123.501 120.400 0.236 0.000 2.449 165 D HA 0.257 4.897 4.640 -0.000 0.000 0.210 165 D C 0.009 176.520 176.300 0.352 0.000 1.094 165 D CA 0.318 54.499 54.000 0.301 0.000 0.846 165 D CB 1.501 42.502 40.800 0.335 0.000 1.003 165 D HN 0.360 nan 8.370 nan 0.000 0.504 166 L N 0.836 122.213 121.223 0.257 0.000 2.505 166 L HA 0.435 4.775 4.340 -0.000 0.000 0.259 166 L C -2.242 174.665 176.870 0.061 0.000 0.952 166 L CA -0.895 54.058 54.840 0.188 0.000 0.840 166 L CB 2.682 44.875 42.059 0.224 0.000 1.358 166 L HN -0.239 nan 8.230 nan 0.000 0.409 167 L N 4.195 125.457 121.223 0.065 0.000 2.349 167 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 167 L C -0.881 176.056 176.870 0.110 0.000 0.996 167 L CA -0.173 54.673 54.840 0.010 0.000 0.825 167 L CB 1.506 43.553 42.059 -0.021 0.000 1.243 167 L HN 0.621 nan 8.230 nan 0.000 0.412 168 K N 4.627 125.078 120.400 0.085 0.000 2.262 168 K HA 0.316 4.636 4.320 -0.000 0.000 0.282 168 K C -1.616 175.060 176.600 0.125 0.000 1.066 168 K CA -0.406 55.951 56.287 0.116 0.000 0.901 168 K CB 0.549 33.121 32.500 0.121 0.000 1.089 168 K HN 0.526 nan 8.250 nan 0.000 0.476 169 F N 4.615 124.546 119.950 -0.031 0.000 2.366 169 F HA 0.256 4.783 4.527 -0.000 0.000 0.366 169 F C -0.121 175.670 175.800 -0.014 0.000 1.096 169 F CA -1.269 56.703 58.000 -0.047 0.000 1.060 169 F CB 0.653 39.749 39.000 0.161 0.000 1.282 169 F HN 0.603 nan 8.300 nan 0.000 0.450 170 D N 2.264 122.423 120.400 -0.402 0.000 2.383 170 D HA 0.368 5.007 4.640 -0.000 0.000 0.248 170 D C 0.901 176.902 176.300 -0.498 0.000 1.170 170 D CA 0.094 53.932 54.000 -0.270 0.000 0.977 170 D CB 1.895 42.585 40.800 -0.183 0.000 1.120 170 D HN 0.693 nan 8.370 nan 0.000 0.481 171 G N -0.109 108.259 108.800 -0.719 0.000 3.324 171 G HA2 0.095 4.055 3.960 -0.000 0.000 0.251 171 G HA3 0.095 4.055 3.960 -0.000 0.000 0.251 171 G C 0.552 174.798 174.900 -1.090 0.000 1.072 171 G CA -0.071 44.328 45.100 -1.169 0.000 0.787 171 G HN 0.489 nan 8.290 nan 0.000 0.537 172 c N 0.146 118.363 118.600 -0.639 0.000 2.727 172 c HA 0.250 4.820 4.570 -0.000 0.000 0.401 172 c C 0.691 174.691 174.090 -0.150 0.000 1.294 172 c CA 0.232 56.380 56.329 -0.302 0.000 2.134 172 c CB -0.869 41.587 42.510 -0.089 0.000 2.724 172 c HN 0.679 nan 8.230 nan 0.000 0.677 173 Y N -0.864 119.374 120.300 -0.102 0.000 3.168 173 Y HA -0.223 4.327 4.550 -0.000 0.000 0.207 173 Y C 0.562 176.358 175.900 -0.173 0.000 1.280 173 Y CA 0.489 58.524 58.100 -0.109 0.000 1.235 173 Y CB -1.687 36.717 38.460 -0.093 0.000 1.370 173 Y HN 0.754 nan 8.280 nan 0.000 0.537 174 C N 2.285 121.518 119.300 -0.112 0.000 2.293 174 C HA 0.395 4.855 4.460 -0.000 0.000 0.323 174 C C 1.297 176.194 174.990 -0.155 0.000 1.240 174 C CA -0.362 58.554 59.018 -0.170 0.000 1.497 174 C CB -0.144 27.482 27.740 -0.190 0.000 2.171 174 C HN 0.592 nan 8.230 nan 0.000 0.465 175 D N 3.087 123.378 120.400 -0.183 0.000 2.355 175 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 175 D C 0.562 176.757 176.300 -0.176 0.000 1.004 175 D CA 0.657 54.564 54.000 -0.156 0.000 0.880 175 D CB 0.099 40.812 40.800 -0.145 0.000 0.911 175 D HN 0.587 nan 8.370 nan 0.000 0.528 176 S N -1.423 114.166 115.700 -0.185 0.000 2.556 176 S HA 0.392 4.862 4.470 -0.000 0.000 0.271 176 S C 0.538 175.042 174.600 -0.160 0.000 1.135 176 S CA -0.945 57.147 58.200 -0.180 0.000 0.858 176 S CB 0.995 64.119 63.200 -0.128 0.000 1.114 176 S HN -0.014 nan 8.310 nan 0.000 0.468 177 L N 1.215 122.340 121.223 -0.162 0.000 2.141 177 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 177 L C 2.817 179.672 176.870 -0.026 0.000 1.094 177 L CA 1.614 56.407 54.840 -0.078 0.000 0.763 177 L CB -0.405 41.620 42.059 -0.057 0.000 0.908 177 L HN 0.931 nan 8.230 nan 0.000 0.437 178 E N 0.443 120.621 120.200 -0.036 0.000 2.031 178 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 178 E C 1.907 178.492 176.600 -0.025 0.000 0.994 178 E CA 1.318 57.708 56.400 -0.016 0.000 0.800 178 E CB 0.118 29.812 29.700 -0.011 0.000 0.752 178 E HN 0.407 nan 8.360 nan 0.000 0.447 179 N N 0.721 119.402 118.700 -0.032 0.000 2.149 179 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 179 N C 1.817 177.292 175.510 -0.059 0.000 1.019 179 N CA 0.703 53.749 53.050 -0.007 0.000 0.857 179 N CB -0.382 38.067 38.487 -0.063 0.000 0.997 179 N HN 0.164 nan 8.380 nan 0.000 0.426 180 L N 0.772 121.935 121.223 -0.100 0.000 1.976 180 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 180 L C 2.080 178.783 176.870 -0.279 0.000 1.071 180 L CA 1.908 56.665 54.840 -0.139 0.000 0.746 180 L CB -0.895 41.148 42.059 -0.028 0.000 0.890 180 L HN 0.147 nan 8.230 nan 0.000 0.432 181 A N -0.790 121.878 122.820 -0.253 0.000 1.877 181 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 181 A C 2.005 179.330 177.584 -0.431 0.000 1.186 181 A CA 2.001 53.786 52.037 -0.420 0.000 0.620 181 A CB -0.977 18.053 19.000 0.050 0.000 0.822 181 A HN 0.566 nan 8.150 nan 0.000 0.443 182 D N -0.331 119.942 120.400 -0.212 0.000 2.123 182 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 182 D C 2.085 178.251 176.300 -0.223 0.000 0.992 182 D CA 1.545 55.453 54.000 -0.153 0.000 0.833 182 D CB -0.813 39.975 40.800 -0.019 0.000 0.954 182 D HN 0.439 nan 8.370 nan 0.000 0.455 183 G N -0.351 108.286 108.800 -0.272 0.000 2.421 183 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 183 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 183 G C 1.444 175.989 174.900 -0.591 0.000 1.171 183 G CA 0.515 45.275 45.100 -0.566 0.000 0.775 183 G HN 0.248 nan 8.290 nan 0.000 0.543 184 Y N 1.124 121.150 120.300 -0.458 0.000 2.181 184 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 184 Y C 2.909 178.623 175.900 -0.311 0.000 1.146 184 Y CA 1.565 59.459 58.100 -0.344 0.000 1.164 184 Y CB -0.064 37.888 38.460 -0.846 0.000 0.982 184 Y HN 0.135 nan 8.280 nan 0.000 0.515 185 K N -1.080 119.052 120.400 -0.446 0.000 2.026 185 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 185 K C 1.940 178.400 176.600 -0.233 0.000 1.048 185 K CA 1.756 57.699 56.287 -0.573 0.000 0.929 185 K CB -0.471 31.602 32.500 -0.711 0.000 0.713 185 K HN 0.451 nan 8.250 nan 0.000 0.439 186 H N 0.320 119.183 119.070 -0.346 0.000 2.290 186 H HA -0.159 4.397 4.556 -0.000 0.000 0.298 186 H C 2.251 177.391 175.328 -0.313 0.000 1.087 186 H CA 1.956 57.824 56.048 -0.301 0.000 1.291 186 H CB 0.083 29.620 29.762 -0.375 0.000 1.369 186 H HN 0.017 nan 8.280 nan 0.000 0.492 187 M N -0.090 119.346 119.600 -0.274 0.000 2.159 187 M HA -0.157 4.322 4.480 -0.000 0.000 0.263 187 M C 2.509 178.542 176.300 -0.444 0.000 1.063 187 M CA 1.702 56.778 55.300 -0.374 0.000 1.110 187 M CB -0.530 31.665 32.600 -0.676 0.000 1.374 187 M HN 0.222 nan 8.290 nan 0.000 0.411 188 S N -0.224 115.260 115.700 -0.359 0.000 2.359 188 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 188 S C 1.878 176.397 174.600 -0.135 0.000 1.035 188 S CA 1.639 59.646 58.200 -0.323 0.000 1.018 188 S CB -0.428 62.919 63.200 0.245 0.000 0.876 188 S HN 0.607 nan 8.310 nan 0.000 0.448 189 L N 0.971 122.173 121.223 -0.035 0.000 2.093 189 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 189 L C 2.955 179.789 176.870 -0.061 0.000 1.085 189 L CA 1.087 55.913 54.840 -0.023 0.000 0.755 189 L CB -0.687 41.359 42.059 -0.023 0.000 0.904 189 L HN 0.408 nan 8.230 nan 0.000 0.435 190 A N 0.252 123.033 122.820 -0.065 0.000 1.933 190 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 190 A C 2.260 179.799 177.584 -0.074 0.000 1.175 190 A CA 1.404 53.417 52.037 -0.039 0.000 0.628 190 A CB -0.651 18.370 19.000 0.035 0.000 0.814 190 A HN 0.350 nan 8.150 nan 0.000 0.444 191 L N -0.190 120.951 121.223 -0.136 0.000 2.056 191 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 191 L C 2.608 179.441 176.870 -0.062 0.000 1.078 191 L CA 1.397 56.168 54.840 -0.115 0.000 0.749 191 L CB -0.615 41.318 42.059 -0.209 0.000 0.901 191 L HN 0.534 nan 8.230 nan 0.000 0.433 192 N N 0.864 119.527 118.700 -0.061 0.000 2.149 192 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 192 N C 1.925 177.425 175.510 -0.017 0.000 1.019 192 N CA 1.399 54.434 53.050 -0.024 0.000 0.857 192 N CB 0.063 38.541 38.487 -0.015 0.000 0.997 192 N HN 0.312 nan 8.380 nan 0.000 0.426 193 R N -0.133 120.351 120.500 -0.026 0.000 2.235 193 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 193 R C 2.061 178.350 176.300 -0.018 0.000 1.059 193 R CA 1.347 57.434 56.100 -0.021 0.000 0.997 193 R CB -0.184 30.100 30.300 -0.028 0.000 0.884 193 R HN 0.435 nan 8.270 nan 0.000 0.462 194 T N -3.214 111.329 114.554 -0.018 0.000 2.915 194 T HA 0.004 4.354 4.350 -0.000 0.000 0.269 194 T C 1.634 176.336 174.700 0.003 0.000 1.071 194 T CA 1.111 63.204 62.100 -0.011 0.000 1.132 194 T CB 0.093 68.957 68.868 -0.008 0.000 0.878 194 T HN 0.389 nan 8.240 nan 0.000 0.479 195 G N 1.345 110.149 108.800 0.007 0.000 2.199 195 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 195 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 195 G C 0.173 175.088 174.900 0.026 0.000 0.982 195 G CA 0.176 45.285 45.100 0.014 0.000 0.632 195 G HN 0.872 nan 8.290 nan 0.000 0.529 196 R N 0.999 121.519 120.500 0.034 0.000 2.349 196 R HA 0.550 4.890 4.340 -0.000 0.000 0.299 196 R C 0.030 176.368 176.300 0.063 0.000 1.027 196 R CA -0.102 56.029 56.100 0.052 0.000 0.958 196 R CB 0.490 30.831 30.300 0.067 0.000 1.047 196 R HN 0.106 nan 8.270 nan 0.000 0.468 197 S N 5.212 120.956 115.700 0.074 0.000 2.457 197 S HA 0.189 4.658 4.470 -0.000 0.000 0.294 197 S C -0.116 174.564 174.600 0.132 0.000 1.201 197 S CA 0.024 58.283 58.200 0.098 0.000 1.112 197 S CB -0.221 63.039 63.200 0.101 0.000 1.018 197 S HN 0.411 nan 8.310 nan 0.000 0.511 198 I N 3.575 124.221 120.570 0.127 0.000 2.439 198 I HA 0.228 4.398 4.170 -0.000 0.000 0.283 198 I C -0.233 175.980 176.117 0.159 0.000 1.023 198 I CA -0.895 60.494 61.300 0.149 0.000 1.100 198 I CB 1.701 39.766 38.000 0.108 0.000 1.238 198 I HN 0.197 nan 8.210 nan 0.000 0.445 199 V N 6.253 126.279 119.914 0.187 0.000 2.617 199 V HA -0.125 3.995 4.120 -0.000 0.000 0.304 199 V C -0.472 175.727 176.094 0.175 0.000 1.040 199 V CA 0.436 62.826 62.300 0.149 0.000 1.149 199 V CB 0.019 31.875 31.823 0.054 0.000 0.914 199 V HN 0.435 nan 8.190 nan 0.000 0.487 200 Y N 4.703 124.998 120.300 -0.009 0.000 2.402 200 Y HA 0.480 5.030 4.550 -0.000 0.000 0.332 200 Y C 0.290 176.155 175.900 -0.059 0.000 0.960 200 Y CA -0.789 57.315 58.100 0.007 0.000 1.228 200 Y CB 1.495 40.000 38.460 0.075 0.000 1.120 200 Y HN 0.591 nan 8.280 nan 0.000 0.491 201 S N 6.050 121.648 115.700 -0.171 0.000 2.438 201 S HA 0.645 5.115 4.470 -0.000 0.000 0.316 201 S C -0.952 173.582 174.600 -0.110 0.000 1.084 201 S CA -0.371 57.706 58.200 -0.206 0.000 1.107 201 S CB -0.414 62.781 63.200 -0.009 0.000 0.981 201 S HN 0.701 nan 8.310 nan 0.000 0.466 202 c N 3.969 122.543 118.600 -0.043 0.000 2.435 202 c HA 0.548 5.118 4.570 -0.000 0.000 0.333 202 c C 1.070 175.263 174.090 0.172 0.000 1.202 202 c CA -0.740 55.611 56.329 0.037 0.000 1.830 202 c CB 1.215 43.667 42.510 -0.097 0.000 2.326 202 c HN 0.924 nan 8.230 nan 0.000 0.507 203 E N 0.491 120.818 120.200 0.211 0.000 2.499 203 E HA -0.033 4.316 4.350 -0.000 0.000 0.199 203 E C 0.991 177.773 176.600 0.303 0.000 1.016 203 E CA -0.232 56.361 56.400 0.323 0.000 0.933 203 E CB 0.240 30.224 29.700 0.474 0.000 1.050 203 E HN 0.868 nan 8.360 nan 0.000 0.462 204 W N 3.770 124.793 121.300 -0.462 0.000 2.289 204 W HA -0.189 4.471 4.660 -0.000 0.000 0.331 204 W C -1.104 175.325 176.519 -0.150 0.000 1.283 204 W CA 1.826 58.797 57.345 -0.623 0.000 1.252 204 W CB -1.727 27.152 29.460 -0.968 0.000 1.153 204 W HN 0.136 nan 8.180 nan 0.000 0.467 205 P HA -0.195 nan 4.420 nan 0.000 0.217 205 P C 2.064 179.494 177.300 0.216 0.000 1.150 205 P CA 1.827 64.875 63.100 -0.087 0.000 0.832 205 P CB -0.492 31.142 31.700 -0.108 0.000 0.787 206 L N -0.676 120.718 121.223 0.285 0.000 2.012 206 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 206 L C 2.382 179.293 176.870 0.070 0.000 1.073 206 L CA 1.942 56.879 54.840 0.162 0.000 0.748 206 L CB -1.621 40.419 42.059 -0.031 0.000 0.891 206 L HN -0.146 nan 8.230 nan 0.000 0.431 207 Y N -0.783 119.650 120.300 0.222 0.000 2.519 207 Y HA -0.051 4.499 4.550 -0.000 0.000 0.287 207 Y C 2.273 178.386 175.900 0.354 0.000 1.128 207 Y CA 1.156 59.405 58.100 0.247 0.000 1.282 207 Y CB -0.359 38.231 38.460 0.216 0.000 1.027 207 Y HN 0.402 nan 8.280 nan 0.000 0.551 208 M N -3.827 116.025 119.600 0.421 0.000 2.516 208 M HA 0.110 4.589 4.480 -0.000 0.000 0.259 208 M C 1.366 177.849 176.300 0.305 0.000 1.146 208 M CA 0.596 56.134 55.300 0.396 0.000 1.122 208 M CB -0.565 32.183 32.600 0.247 0.000 1.341 208 M HN 0.168 nan 8.290 nan 0.000 0.478 209 W N 2.576 123.967 121.300 0.151 0.000 2.305 209 W HA -0.142 4.518 4.660 -0.000 0.000 0.308 209 W C -0.791 175.727 176.519 -0.002 0.000 1.226 209 W CA 1.435 58.843 57.345 0.104 0.000 1.253 209 W CB -1.595 27.944 29.460 0.132 0.000 1.146 209 W HN 0.265 nan 8.180 nan 0.000 0.507 210 P HA -0.181 nan 4.420 nan 0.000 0.219 210 P C 0.795 177.855 177.300 -0.400 0.000 1.146 210 P CA 1.734 64.627 63.100 -0.345 0.000 0.808 210 P CB -0.266 30.904 31.700 -0.884 0.000 0.779 211 F N -2.160 117.883 119.950 0.155 0.000 2.514 211 F HA 0.302 4.829 4.527 -0.000 0.000 0.281 211 F C 1.327 177.178 175.800 0.086 0.000 1.060 211 F CA 0.025 58.088 58.000 0.105 0.000 1.397 211 F CB -0.059 38.990 39.000 0.081 0.000 1.129 211 F HN -0.211 nan 8.300 nan 0.000 0.620 212 Q N 0.402 120.348 119.800 0.244 0.000 2.379 212 Q HA 0.331 4.671 4.340 -0.000 0.000 0.278 212 Q C -1.323 174.623 176.000 -0.091 0.000 1.068 212 Q CA -0.873 54.983 55.803 0.089 0.000 0.816 212 Q CB 2.023 30.801 28.738 0.067 0.000 1.387 212 Q HN -0.017 nan 8.270 nan 0.000 0.413 213 K N 3.206 123.508 120.400 -0.164 0.000 2.379 213 K HA 0.246 4.565 4.320 -0.000 0.000 0.284 213 K C -2.361 173.916 176.600 -0.540 0.000 1.044 213 K CA -1.300 54.704 56.287 -0.471 0.000 0.974 213 K CB 0.379 32.753 32.500 -0.209 0.000 0.962 213 K HN 0.347 nan 8.250 nan 0.000 0.474 214 P HA -0.024 nan 4.420 nan 0.000 0.271 214 P C -0.793 176.103 177.300 -0.673 0.000 1.216 214 P CA -0.317 62.273 63.100 -0.850 0.000 0.776 214 P CB 0.470 31.407 31.700 -1.271 0.000 0.881 215 N N 1.996 120.326 118.700 -0.617 0.000 2.437 215 N HA 0.065 4.805 4.740 -0.000 0.000 0.243 215 N C 0.198 175.342 175.510 -0.611 0.000 1.041 215 N CA 0.027 52.809 53.050 -0.447 0.000 0.940 215 N CB -0.076 38.228 38.487 -0.305 0.000 1.133 215 N HN 0.300 nan 8.380 nan 0.000 0.506 216 Y N 1.638 121.693 120.300 -0.409 0.000 2.314 216 Y HA -0.087 4.463 4.550 -0.000 0.000 0.293 216 Y C 2.243 177.865 175.900 -0.464 0.000 1.129 216 Y CA 1.090 58.887 58.100 -0.505 0.000 1.201 216 Y CB -0.007 38.257 38.460 -0.327 0.000 0.999 216 Y HN 0.458 nan 8.280 nan 0.000 0.541 217 T N -0.361 114.094 114.554 -0.165 0.000 2.720 217 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 217 T C 1.760 176.340 174.700 -0.200 0.000 1.037 217 T CA 1.730 63.740 62.100 -0.150 0.000 1.144 217 T CB -0.191 68.618 68.868 -0.097 0.000 0.864 217 T HN 0.460 nan 8.240 nan 0.000 0.444 218 E N 0.564 120.615 120.200 -0.248 0.000 2.046 218 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 218 E C 2.202 178.656 176.600 -0.243 0.000 0.982 218 E CA 0.772 57.062 56.400 -0.183 0.000 0.800 218 E CB -0.182 29.403 29.700 -0.192 0.000 0.756 218 E HN 0.482 nan 8.360 nan 0.000 0.449 219 I N 0.876 121.044 120.570 -0.669 0.000 2.226 219 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 219 I C 2.916 178.777 176.117 -0.426 0.000 1.100 219 I CA 1.042 61.872 61.300 -0.784 0.000 1.374 219 I CB -0.328 36.913 38.000 -1.266 0.000 1.057 219 I HN 0.097 nan 8.210 nan 0.000 0.413 220 R N 0.735 120.895 120.500 -0.565 0.000 2.091 220 R HA -0.259 4.081 4.340 -0.000 0.000 0.238 220 R C 2.330 178.606 176.300 -0.040 0.000 1.136 220 R CA 1.837 57.785 56.100 -0.252 0.000 0.959 220 R CB -0.307 29.891 30.300 -0.169 0.000 0.856 220 R HN 0.437 nan 8.270 nan 0.000 0.437 221 Q N -0.869 118.853 119.800 -0.129 0.000 2.234 221 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 221 Q C 0.760 176.580 176.000 -0.299 0.000 0.980 221 Q CA 1.733 57.386 55.803 -0.251 0.000 0.869 221 Q CB 0.095 28.591 28.738 -0.403 0.000 0.912 221 Q HN 0.476 nan 8.270 nan 0.000 0.436 222 Y N -2.207 118.192 120.300 0.165 0.000 2.498 222 Y HA 0.216 4.766 4.550 -0.000 0.000 0.259 222 Y C 0.439 176.595 175.900 0.426 0.000 1.086 222 Y CA -0.500 57.782 58.100 0.303 0.000 1.287 222 Y CB 0.919 39.641 38.460 0.437 0.000 1.146 222 Y HN 0.019 nan 8.280 nan 0.000 0.523 223 c N -0.047 118.831 118.600 0.464 0.000 2.634 223 c HA 0.248 4.818 4.570 -0.000 0.000 0.313 223 c C 1.238 175.577 174.090 0.415 0.000 1.198 223 c CA -0.939 55.645 56.329 0.425 0.000 1.605 223 c CB 1.318 44.056 42.510 0.380 0.000 2.196 223 c HN 0.453 nan 8.230 nan 0.000 0.486 224 N N -0.209 118.640 118.700 0.249 0.000 2.333 224 N HA 0.028 4.768 4.740 -0.000 0.000 0.178 224 N C -0.254 175.340 175.510 0.139 0.000 1.018 224 N CA 0.867 54.015 53.050 0.164 0.000 0.882 224 N CB 0.118 38.660 38.487 0.092 0.000 0.984 224 N HN 0.899 nan 8.380 nan 0.000 0.434 225 H N -2.894 116.285 119.070 0.182 0.000 3.014 225 H HA 0.488 5.044 4.556 -0.000 0.000 0.337 225 H C -1.903 173.513 175.328 0.147 0.000 1.320 225 H CA -1.491 54.498 56.048 -0.099 0.000 1.128 225 H CB 0.179 29.934 29.762 -0.011 0.000 1.862 225 H HN 0.108 nan 8.280 nan 0.000 0.536 226 W N 0.085 121.578 121.300 0.322 0.000 3.097 226 W HA 0.648 5.308 4.660 -0.000 0.000 0.335 226 W C -1.121 175.545 176.519 0.244 0.000 1.114 226 W CA -1.259 56.215 57.345 0.215 0.000 1.231 226 W CB 1.226 30.780 29.460 0.157 0.000 1.388 226 W HN 0.376 nan 8.180 nan 0.000 0.485 227 R N 2.644 123.371 120.500 0.378 0.000 2.316 227 R HA 0.132 4.472 4.340 -0.000 0.000 0.314 227 R C 0.017 176.504 176.300 0.311 0.000 1.069 227 R CA 0.095 56.363 56.100 0.280 0.000 0.959 227 R CB 0.697 31.129 30.300 0.220 0.000 0.987 227 R HN 0.854 nan 8.270 nan 0.000 0.446 228 N N 0.761 119.612 118.700 0.250 0.000 2.432 228 N HA 0.034 4.774 4.740 -0.000 0.000 0.174 228 N C -0.377 175.022 175.510 -0.184 0.000 1.037 228 N CA 0.344 53.516 53.050 0.203 0.000 0.892 228 N CB 0.326 38.941 38.487 0.214 0.000 1.049 228 N HN 0.297 nan 8.380 nan 0.000 0.442 229 F N 0.668 120.355 119.950 -0.438 0.000 2.629 229 F HA 0.639 5.166 4.527 -0.000 0.000 0.316 229 F C -0.880 174.737 175.800 -0.306 0.000 1.081 229 F CA -1.508 56.115 58.000 -0.627 0.000 0.954 229 F CB 0.900 39.409 39.000 -0.818 0.000 1.337 229 F HN -0.163 nan 8.300 nan 0.000 0.474 230 A N 2.394 124.531 122.820 -1.140 0.000 2.586 230 A HA 0.112 4.432 4.320 -0.000 0.000 0.231 230 A C -0.442 176.976 177.584 -0.277 0.000 1.055 230 A CA 0.002 51.614 52.037 -0.709 0.000 0.756 230 A CB -0.442 18.028 19.000 -0.883 0.000 0.988 230 A HN 0.648 nan 8.150 nan 0.000 0.509 231 D N 0.556 120.876 120.400 -0.133 0.000 2.583 231 D HA 0.064 4.704 4.640 -0.000 0.000 0.232 231 D C 0.456 176.791 176.300 0.058 0.000 1.128 231 D CA 0.608 54.621 54.000 0.022 0.000 0.859 231 D CB 0.206 41.056 40.800 0.083 0.000 1.169 231 D HN 0.490 nan 8.370 nan 0.000 0.481 232 I N 1.886 122.532 120.570 0.126 0.000 2.836 232 I HA -0.018 4.152 4.170 -0.000 0.000 0.285 232 I C 0.463 176.637 176.117 0.095 0.000 1.174 232 I CA 0.049 61.428 61.300 0.133 0.000 1.405 232 I CB 0.518 38.620 38.000 0.169 0.000 1.385 232 I HN 0.443 nan 8.210 nan 0.000 0.594 233 D N 4.034 124.476 120.400 0.069 0.000 2.758 233 D HA 0.188 4.828 4.640 -0.000 0.000 0.262 233 D C -0.880 175.442 176.300 0.036 0.000 1.113 233 D CA -0.517 53.508 54.000 0.042 0.000 1.114 233 D CB 0.286 41.105 40.800 0.031 0.000 1.363 233 D HN 0.260 nan 8.370 nan 0.000 0.617 234 D N -0.533 119.887 120.400 0.033 0.000 2.845 234 D HA 0.273 4.913 4.640 -0.000 0.000 0.235 234 D C -0.860 175.482 176.300 0.069 0.000 1.158 234 D CA 0.030 54.059 54.000 0.048 0.000 0.990 234 D CB -0.816 40.030 40.800 0.076 0.000 1.094 234 D HN 0.442 nan 8.370 nan 0.000 0.486 235 S N -0.190 115.556 115.700 0.078 0.000 2.541 235 S HA 0.182 4.652 4.470 -0.000 0.000 0.271 235 S C 0.681 175.382 174.600 0.168 0.000 1.133 235 S CA -1.054 57.214 58.200 0.114 0.000 0.876 235 S CB 0.757 64.005 63.200 0.081 0.000 1.105 235 S HN 0.373 nan 8.310 nan 0.000 0.470 236 W N 3.425 124.727 121.300 0.002 0.000 2.388 236 W HA -0.092 4.568 4.660 -0.000 0.000 0.294 236 W C 1.593 178.125 176.519 0.021 0.000 1.212 236 W CA 1.466 58.810 57.345 -0.001 0.000 1.271 236 W CB -0.141 29.314 29.460 -0.008 0.000 1.126 236 W HN 0.985 nan 8.180 nan 0.000 0.535 237 K N 0.663 120.999 120.400 -0.107 0.000 2.059 237 K HA -0.285 4.035 4.320 -0.000 0.000 0.212 237 K C 2.343 178.847 176.600 -0.160 0.000 1.050 237 K CA 2.276 58.446 56.287 -0.194 0.000 0.927 237 K CB -0.639 31.831 32.500 -0.051 0.000 0.714 237 K HN 0.026 nan 8.250 nan 0.000 0.447 238 S N 0.141 115.814 115.700 -0.046 0.000 2.356 238 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 238 S C 1.919 176.542 174.600 0.037 0.000 1.032 238 S CA 1.132 59.351 58.200 0.031 0.000 1.005 238 S CB -0.208 63.032 63.200 0.066 0.000 0.867 238 S HN 0.301 nan 8.310 nan 0.000 0.449 239 I N 1.879 122.443 120.570 -0.010 0.000 2.163 239 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 239 I C 2.332 178.377 176.117 -0.119 0.000 1.085 239 I CA 1.556 62.874 61.300 0.029 0.000 1.347 239 I CB -1.343 36.706 38.000 0.082 0.000 1.044 239 I HN 0.365 nan 8.210 nan 0.000 0.408 240 K N 0.626 120.755 120.400 -0.452 0.000 2.032 240 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 240 K C 2.321 178.805 176.600 -0.192 0.000 1.048 240 K CA 1.751 57.767 56.287 -0.452 0.000 0.927 240 K CB -0.202 31.886 32.500 -0.688 0.000 0.712 240 K HN 0.183 nan 8.250 nan 0.000 0.441 241 S N 1.362 116.994 115.700 -0.114 0.000 2.359 241 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 241 S C 2.014 176.509 174.600 -0.175 0.000 1.035 241 S CA 1.270 59.459 58.200 -0.018 0.000 1.018 241 S CB -0.279 63.046 63.200 0.207 0.000 0.876 241 S HN 0.207 nan 8.310 nan 0.000 0.448 242 I N 1.195 121.725 120.570 -0.067 0.000 2.202 242 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 242 I C 2.132 178.188 176.117 -0.101 0.000 1.091 242 I CA 1.068 62.275 61.300 -0.154 0.000 1.368 242 I CB -0.391 37.706 38.000 0.161 0.000 1.058 242 I HN 0.226 nan 8.210 nan 0.000 0.410 243 L N 0.245 121.459 121.223 -0.013 0.000 2.046 243 L HA -0.249 4.090 4.340 -0.000 0.000 0.208 243 L C 2.183 179.149 176.870 0.159 0.000 1.077 243 L CA 1.359 56.237 54.840 0.064 0.000 0.747 243 L CB -0.700 41.371 42.059 0.020 0.000 0.896 243 L HN 0.280 nan 8.230 nan 0.000 0.432 244 D N -1.030 119.392 120.400 0.036 0.000 2.144 244 D HA -0.218 4.422 4.640 -0.000 0.000 0.200 244 D C 1.734 178.022 176.300 -0.020 0.000 0.978 244 D CA 0.989 54.999 54.000 0.018 0.000 0.833 244 D CB -0.201 40.569 40.800 -0.051 0.000 0.961 244 D HN 0.397 nan 8.370 nan 0.000 0.470 245 W N 1.659 122.751 121.300 -0.346 0.000 2.358 245 W HA -0.196 4.464 4.660 -0.000 0.000 0.303 245 W C 2.163 178.570 176.519 -0.186 0.000 1.208 245 W CA 2.027 59.122 57.345 -0.417 0.000 1.274 245 W CB -0.326 28.484 29.460 -1.084 0.000 1.138 245 W HN -0.156 nan 8.180 nan 0.000 0.515 246 T N -0.275 114.351 114.554 0.119 0.000 2.746 246 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 246 T C 1.994 176.661 174.700 -0.054 0.000 1.039 246 T CA 2.198 64.356 62.100 0.096 0.000 1.142 246 T CB -0.874 68.150 68.868 0.260 0.000 0.866 246 T HN 0.331 nan 8.240 nan 0.000 0.444 247 S N 1.082 116.791 115.700 0.014 0.000 2.402 247 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 247 S C 1.824 176.323 174.600 -0.168 0.000 1.021 247 S CA 0.458 58.559 58.200 -0.166 0.000 0.974 247 S CB -0.805 62.288 63.200 -0.178 0.000 0.800 247 S HN 0.400 nan 8.310 nan 0.000 0.484 248 F N 3.010 122.775 119.950 -0.307 0.000 2.259 248 F HA 0.219 4.746 4.527 -0.000 0.000 0.298 248 F C 1.721 177.269 175.800 -0.421 0.000 1.088 248 F CA 0.944 58.741 58.000 -0.339 0.000 1.358 248 F CB -0.191 38.601 39.000 -0.348 0.000 1.040 248 F HN 0.209 nan 8.300 nan 0.000 0.505 249 N N 0.547 118.915 118.700 -0.555 0.000 2.235 249 N HA -0.027 4.713 4.740 -0.000 0.000 0.209 249 N C 1.570 176.839 175.510 -0.401 0.000 1.122 249 N CA 0.353 53.028 53.050 -0.626 0.000 0.845 249 N CB 0.041 37.843 38.487 -1.143 0.000 1.004 249 N HN 0.601 nan 8.380 nan 0.000 0.499 250 Q N 0.774 120.382 119.800 -0.320 0.000 2.167 250 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 250 Q C 1.511 177.403 176.000 -0.180 0.000 0.970 250 Q CA 1.187 56.866 55.803 -0.206 0.000 0.855 250 Q CB -0.208 28.427 28.738 -0.173 0.000 0.911 250 Q HN 0.265 nan 8.270 nan 0.000 0.438 251 E N 1.040 121.116 120.200 -0.207 0.000 2.160 251 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 251 E C 1.878 178.398 176.600 -0.134 0.000 0.991 251 E CA 1.292 57.590 56.400 -0.170 0.000 0.810 251 E CB 0.167 29.760 29.700 -0.178 0.000 0.742 251 E HN 0.481 nan 8.360 nan 0.000 0.466 252 R N -0.276 120.141 120.500 -0.137 0.000 2.210 252 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 252 R C 2.333 178.505 176.300 -0.213 0.000 1.010 252 R CA 1.088 57.128 56.100 -0.100 0.000 1.008 252 R CB 0.011 30.319 30.300 0.013 0.000 0.923 252 R HN 0.361 nan 8.270 nan 0.000 0.469 253 I N -4.194 116.240 120.570 -0.226 0.000 4.312 253 I HA 0.159 4.329 4.170 -0.000 0.000 0.324 253 I C 1.623 177.696 176.117 -0.073 0.000 1.298 253 I CA -0.008 61.123 61.300 -0.281 0.000 1.231 253 I CB 0.235 38.104 38.000 -0.219 0.000 1.152 253 I HN -0.261 nan 8.210 nan 0.000 0.421 254 V N 2.345 122.235 119.914 -0.040 0.000 2.307 254 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 254 V C 2.113 178.231 176.094 0.041 0.000 1.045 254 V CA 2.408 64.728 62.300 0.033 0.000 1.024 254 V CB -0.663 31.185 31.823 0.041 0.000 0.651 254 V HN 0.433 nan 8.190 nan 0.000 0.449 255 D N -0.522 119.878 120.400 -0.000 0.000 2.224 255 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 255 D C 2.035 178.346 176.300 0.018 0.000 0.965 255 D CA 1.056 55.059 54.000 0.004 0.000 0.852 255 D CB 0.013 40.799 40.800 -0.024 0.000 0.947 255 D HN 0.349 nan 8.370 nan 0.000 0.494 256 V N 0.838 120.773 119.914 0.034 0.000 2.667 256 V HA 0.001 4.121 4.120 -0.000 0.000 0.252 256 V C 0.933 177.109 176.094 0.136 0.000 1.065 256 V CA 0.860 63.206 62.300 0.077 0.000 1.083 256 V CB -0.379 31.499 31.823 0.092 0.000 0.692 256 V HN 0.112 nan 8.190 nan 0.000 0.468 257 A N -0.476 122.429 122.820 0.141 0.000 2.462 257 A HA 0.626 4.946 4.320 -0.000 0.000 0.243 257 A C 0.504 178.019 177.584 -0.115 0.000 1.076 257 A CA 0.679 52.748 52.037 0.054 0.000 0.773 257 A CB -0.130 18.953 19.000 0.139 0.000 1.010 257 A HN 1.179 nan 8.150 nan 0.000 0.493 258 G N 0.809 109.302 108.800 -0.511 0.000 2.313 258 G HA2 0.460 4.420 3.960 -0.000 0.000 0.296 258 G HA3 0.460 4.420 3.960 -0.000 0.000 0.296 258 G C -3.520 170.727 174.900 -1.087 0.000 1.356 258 G CA -0.813 43.950 45.100 -0.561 0.000 0.833 258 G HN 0.479 nan 8.290 nan 0.000 0.552 259 P HA 0.257 nan 4.420 nan 0.000 0.257 259 P C 1.089 178.215 177.300 -0.290 0.000 1.162 259 P CA 2.417 65.375 63.100 -0.237 0.000 0.762 259 P CB 0.571 32.278 31.700 0.012 0.000 0.753 260 G N 2.371 111.045 108.800 -0.210 0.000 2.176 260 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.253 260 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.253 260 G C 0.338 175.125 174.900 -0.189 0.000 0.979 260 G CA -0.291 44.758 45.100 -0.085 0.000 0.641 260 G HN 0.943 nan 8.290 nan 0.000 0.530 261 G N -0.857 107.550 108.800 -0.654 0.000 2.413 261 G HA2 0.523 4.483 3.960 -0.000 0.000 0.285 261 G HA3 0.523 4.483 3.960 -0.000 0.000 0.285 261 G C -0.853 173.494 174.900 -0.922 0.000 1.337 261 G CA -0.464 44.396 45.100 -0.400 0.000 1.324 261 G HN 0.534 nan 8.290 nan 0.000 0.611 262 W N 1.242 122.164 121.300 -0.629 0.000 2.844 262 W HA 0.481 5.141 4.660 -0.000 0.000 0.340 262 W C 0.065 175.879 176.519 -1.175 0.000 1.093 262 W CA -1.155 55.818 57.345 -0.619 0.000 1.212 262 W CB 1.590 30.865 29.460 -0.308 0.000 1.422 262 W HN 0.252 nan 8.180 nan 0.000 0.515 263 N N 2.172 120.612 118.700 -0.433 0.000 2.513 263 N HA 0.001 4.741 4.740 -0.000 0.000 0.268 263 N C -1.088 174.306 175.510 -0.193 0.000 1.180 263 N CA 0.360 53.204 53.050 -0.345 0.000 0.948 263 N CB 0.917 39.433 38.487 0.047 0.000 1.083 263 N HN 0.404 nan 8.380 nan 0.000 0.455 264 D N 2.154 122.487 120.400 -0.111 0.000 2.460 264 D HA 0.254 4.894 4.640 -0.000 0.000 0.232 264 D C -1.942 174.380 176.300 0.038 0.000 1.079 264 D CA -2.010 51.985 54.000 -0.007 0.000 0.864 264 D CB 1.422 42.288 40.800 0.111 0.000 1.048 264 D HN 0.248 nan 8.370 nan 0.000 0.523 265 P HA 0.173 nan 4.420 nan 0.000 0.257 265 P C -0.423 176.998 177.300 0.202 0.000 1.281 265 P CA 0.005 63.061 63.100 -0.074 0.000 0.826 265 P CB 0.414 31.766 31.700 -0.580 0.000 1.237 266 D N -1.454 119.112 120.400 0.277 0.000 10.438 266 D HA -0.110 4.530 4.640 -0.000 0.000 0.353 266 D C -0.250 176.342 176.300 0.486 0.000 3.090 266 D CA -0.046 54.163 54.000 0.347 0.000 2.541 266 D CB -0.959 40.009 40.800 0.281 0.000 1.239 266 D HN -0.113 nan 8.370 nan 0.000 0.972 267 M N 0.638 120.425 119.600 0.312 0.000 2.252 267 M HA 0.134 4.614 4.480 -0.000 0.000 0.329 267 M C 0.313 176.649 176.300 0.061 0.000 1.101 267 M CA 0.263 55.693 55.300 0.218 0.000 1.117 267 M CB 0.164 32.830 32.600 0.110 0.000 1.563 267 M HN 0.198 nan 8.290 nan 0.000 0.445 268 L N 3.179 124.376 121.223 -0.044 0.000 2.410 268 L HA 0.078 4.418 4.340 -0.000 0.000 0.273 268 L C 0.836 177.603 176.870 -0.172 0.000 1.144 268 L CA -0.487 54.202 54.840 -0.252 0.000 0.863 268 L CB 0.371 42.324 42.059 -0.176 0.000 1.140 268 L HN 0.678 nan 8.230 nan 0.000 0.463 269 V N 1.344 121.134 119.914 -0.206 0.000 3.214 269 V HA 0.279 4.399 4.120 -0.000 0.000 0.330 269 V C 0.732 176.746 176.094 -0.134 0.000 1.403 269 V CA -0.368 61.849 62.300 -0.139 0.000 1.143 269 V CB -0.541 31.225 31.823 -0.096 0.000 1.098 269 V HN 0.506 nan 8.190 nan 0.000 0.463 270 I N 2.674 123.158 120.570 -0.142 0.000 2.710 270 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 270 I C 1.547 177.618 176.117 -0.077 0.000 1.181 270 I CA 1.670 62.911 61.300 -0.097 0.000 1.430 270 I CB 0.412 38.368 38.000 -0.073 0.000 1.367 270 I HN 0.483 nan 8.210 nan 0.000 0.577 271 G N 3.521 112.276 108.800 -0.075 0.000 2.179 271 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 271 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 271 G C 0.394 175.135 174.900 -0.265 0.000 0.990 271 G CA -0.230 44.813 45.100 -0.095 0.000 0.646 271 G HN 0.575 nan 8.290 nan 0.000 0.517 272 N N -0.527 117.973 118.700 -0.334 0.000 2.725 272 N HA 0.661 5.401 4.740 -0.000 0.000 0.285 272 N C 1.045 176.093 175.510 -0.770 0.000 1.353 272 N CA 0.598 53.238 53.050 -0.683 0.000 0.805 272 N CB -0.217 38.072 38.487 -0.331 0.000 1.114 272 N HN 0.127 nan 8.380 nan 0.000 0.441 273 F N -1.195 118.739 119.950 -0.026 0.000 2.747 273 F HA 0.394 4.920 4.527 -0.000 0.000 0.305 273 F C 1.975 177.771 175.800 -0.007 0.000 1.065 273 F CA -0.272 57.717 58.000 -0.018 0.000 1.230 273 F CB -0.061 38.918 39.000 -0.035 0.000 1.027 273 F HN 0.390 nan 8.300 nan 0.000 0.607 274 G N 0.736 109.631 108.800 0.159 0.000 2.986 274 G HA2 0.274 4.234 3.960 -0.000 0.000 0.213 274 G HA3 0.274 4.234 3.960 -0.000 0.000 0.213 274 G C 0.380 175.330 174.900 0.083 0.000 1.156 274 G CA 0.090 45.260 45.100 0.116 0.000 0.763 274 G HN 0.046 nan 8.290 nan 0.000 0.547 275 L N 2.137 123.389 121.223 0.049 0.000 2.307 275 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 275 L C 0.722 177.589 176.870 -0.005 0.000 1.023 275 L CA -0.792 54.059 54.840 0.018 0.000 0.810 275 L CB 1.922 43.975 42.059 -0.010 0.000 1.231 275 L HN 0.155 nan 8.230 nan 0.000 0.423 276 S N 2.088 117.759 115.700 -0.049 0.000 2.589 276 S HA -0.015 4.455 4.470 -0.000 0.000 0.265 276 S C 1.072 175.669 174.600 -0.005 0.000 1.342 276 S CA -0.541 57.642 58.200 -0.029 0.000 1.005 276 S CB 0.733 63.878 63.200 -0.092 0.000 0.909 276 S HN 0.895 nan 8.310 nan 0.000 0.555 277 W N 2.675 123.919 121.300 -0.094 0.000 2.318 277 W HA -0.256 4.404 4.660 -0.000 0.000 0.313 277 W C 1.477 177.934 176.519 -0.104 0.000 1.221 277 W CA 1.999 59.294 57.345 -0.083 0.000 1.266 277 W CB -0.789 28.634 29.460 -0.063 0.000 1.150 277 W HN 0.757 nan 8.180 nan 0.000 0.496 278 N N 0.592 119.066 118.700 -0.378 0.000 2.223 278 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 278 N C 1.730 176.938 175.510 -0.503 0.000 1.016 278 N CA 1.883 54.627 53.050 -0.509 0.000 0.863 278 N CB -0.582 37.733 38.487 -0.286 0.000 0.983 278 N HN 0.496 nan 8.380 nan 0.000 0.429 279 Q N 0.712 120.232 119.800 -0.466 0.000 2.172 279 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 279 Q C 1.951 177.797 176.000 -0.257 0.000 0.964 279 Q CA 0.937 56.475 55.803 -0.442 0.000 0.855 279 Q CB 0.028 28.511 28.738 -0.425 0.000 0.918 279 Q HN 0.439 nan 8.270 nan 0.000 0.444 280 Q N -0.297 119.327 119.800 -0.294 0.000 2.079 280 Q HA -0.122 4.217 4.340 -0.000 0.000 0.200 280 Q C 2.200 177.979 176.000 -0.368 0.000 0.974 280 Q CA 1.321 56.959 55.803 -0.276 0.000 0.840 280 Q CB 0.020 28.636 28.738 -0.204 0.000 0.898 280 Q HN 0.200 nan 8.270 nan 0.000 0.430 281 V N 0.632 120.195 119.914 -0.585 0.000 2.332 281 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 281 V C 2.171 178.090 176.094 -0.291 0.000 1.055 281 V CA 2.224 64.204 62.300 -0.534 0.000 1.038 281 V CB -0.829 30.553 31.823 -0.734 0.000 0.651 281 V HN 0.453 nan 8.190 nan 0.000 0.450 282 T N -0.847 113.559 114.554 -0.246 0.000 2.720 282 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 282 T C 1.894 176.562 174.700 -0.054 0.000 1.037 282 T CA 2.013 64.049 62.100 -0.106 0.000 1.144 282 T CB -0.231 68.635 68.868 -0.003 0.000 0.864 282 T HN 0.555 nan 8.240 nan 0.000 0.444 283 Q N -0.145 119.585 119.800 -0.116 0.000 2.050 283 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 283 Q C 2.347 178.240 176.000 -0.179 0.000 0.980 283 Q CA 1.413 57.068 55.803 -0.247 0.000 0.840 283 Q CB -0.187 28.235 28.738 -0.526 0.000 0.898 283 Q HN 0.347 nan 8.270 nan 0.000 0.424 284 M N 0.403 119.901 119.600 -0.170 0.000 2.065 284 M HA -0.149 4.331 4.480 -0.000 0.000 0.259 284 M C 1.963 178.267 176.300 0.007 0.000 1.069 284 M CA 2.104 57.358 55.300 -0.076 0.000 1.110 284 M CB -0.605 31.947 32.600 -0.080 0.000 1.328 284 M HN 0.290 nan 8.290 nan 0.000 0.405 285 A N -0.298 122.503 122.820 -0.031 0.000 1.902 285 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 285 A C 2.076 179.657 177.584 -0.005 0.000 1.181 285 A CA 1.538 53.561 52.037 -0.023 0.000 0.623 285 A CB -0.935 18.027 19.000 -0.062 0.000 0.818 285 A HN 0.519 nan 8.150 nan 0.000 0.443 286 L N -1.868 119.362 121.223 0.011 0.000 2.179 286 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 286 L C 2.355 179.270 176.870 0.075 0.000 1.096 286 L CA 0.968 55.767 54.840 -0.068 0.000 0.779 286 L CB -1.246 40.678 42.059 -0.225 0.000 0.922 286 L HN 0.661 nan 8.230 nan 0.000 0.443 287 W N 0.023 121.243 121.300 -0.134 0.000 2.425 287 W HA -0.164 4.496 4.660 -0.000 0.000 0.277 287 W C 2.351 178.814 176.519 -0.093 0.000 1.231 287 W CA 0.751 58.041 57.345 -0.092 0.000 1.248 287 W CB 0.103 29.525 29.460 -0.064 0.000 1.117 287 W HN 0.186 nan 8.180 nan 0.000 0.568 288 A N 0.264 123.151 122.820 0.113 0.000 1.872 288 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 288 A C 1.767 179.348 177.584 -0.004 0.000 1.187 288 A CA 1.095 53.145 52.037 0.021 0.000 0.614 288 A CB -0.870 18.140 19.000 0.016 0.000 0.826 288 A HN 0.041 nan 8.150 nan 0.000 0.442 289 I N -0.104 120.467 120.570 0.001 0.000 2.194 289 I HA -0.256 3.914 4.170 -0.000 0.000 0.246 289 I C 2.337 178.477 176.117 0.039 0.000 1.093 289 I CA 1.647 62.961 61.300 0.023 0.000 1.355 289 I CB -1.104 36.913 38.000 0.029 0.000 1.046 289 I HN 0.376 nan 8.210 nan 0.000 0.413 290 M N -0.079 119.511 119.600 -0.016 0.000 2.659 290 M HA 0.105 4.585 4.480 -0.000 0.000 0.243 290 M C 1.044 177.329 176.300 -0.026 0.000 1.111 290 M CA 0.532 55.819 55.300 -0.021 0.000 1.070 290 M CB -0.115 32.379 32.600 -0.178 0.000 1.525 290 M HN 0.305 nan 8.290 nan 0.000 0.517 291 A N 1.077 123.865 122.820 -0.054 0.000 2.745 291 A HA -0.100 4.219 4.320 -0.000 0.000 0.296 291 A C 0.458 177.902 177.584 -0.233 0.000 1.500 291 A CA 0.580 52.539 52.037 -0.130 0.000 0.766 291 A CB -2.144 16.888 19.000 0.054 0.000 1.030 291 A HN 0.637 nan 8.150 nan 0.000 0.489 292 A N -0.107 122.572 122.820 -0.234 0.000 2.316 292 A HA 0.700 5.020 4.320 -0.000 0.000 0.284 292 A C -1.855 175.548 177.584 -0.300 0.000 1.115 292 A CA -1.481 50.399 52.037 -0.262 0.000 0.812 292 A CB 0.150 18.924 19.000 -0.376 0.000 1.064 292 A HN 0.366 nan 8.150 nan 0.000 0.489 293 P HA 0.166 nan 4.420 nan 0.000 0.266 293 P C -0.858 176.309 177.300 -0.223 0.000 1.195 293 P CA 0.337 63.166 63.100 -0.450 0.000 0.768 293 P CB 0.324 31.705 31.700 -0.532 0.000 0.838 294 L N 3.789 124.807 121.223 -0.343 0.000 2.426 294 L HA 0.373 4.713 4.340 -0.000 0.000 0.255 294 L C -0.401 176.414 176.870 -0.093 0.000 1.080 294 L CA -0.291 54.511 54.840 -0.064 0.000 0.960 294 L CB -0.408 41.652 42.059 0.001 0.000 1.326 294 L HN 0.305 nan 8.230 nan 0.000 0.441 295 F N 2.183 122.233 119.950 0.166 0.000 2.313 295 F HA 0.397 4.924 4.527 -0.000 0.000 0.369 295 F C 0.773 176.598 175.800 0.041 0.000 1.109 295 F CA -0.567 57.516 58.000 0.139 0.000 1.132 295 F CB 0.969 40.026 39.000 0.095 0.000 1.291 295 F HN 0.313 nan 8.300 nan 0.000 0.496 296 M N 2.342 122.032 119.600 0.151 0.000 2.239 296 M HA 0.090 4.570 4.480 -0.000 0.000 0.348 296 M C 0.333 176.467 176.300 -0.276 0.000 1.239 296 M CA 0.456 55.718 55.300 -0.063 0.000 1.114 296 M CB 0.700 33.201 32.600 -0.164 0.000 1.641 296 M HN 0.433 nan 8.290 nan 0.000 0.453 297 S N 3.622 119.160 115.700 -0.269 0.000 2.718 297 S HA 0.556 5.026 4.470 -0.000 0.000 0.294 297 S C -1.162 173.321 174.600 -0.195 0.000 1.157 297 S CA -0.774 57.183 58.200 -0.406 0.000 1.121 297 S CB 0.037 63.085 63.200 -0.253 0.000 1.015 297 S HN 0.870 nan 8.310 nan 0.000 0.479 298 N N 1.926 120.612 118.700 -0.022 0.000 3.308 298 N HA 0.352 5.092 4.740 -0.000 0.000 0.276 298 N C -2.143 173.619 175.510 0.420 0.000 1.533 298 N CA -0.767 52.342 53.050 0.099 0.000 0.878 298 N CB 0.456 38.946 38.487 0.006 0.000 1.566 298 N HN 0.204 nan 8.380 nan 0.000 0.546 299 D N 0.246 120.791 120.400 0.242 0.000 2.454 299 D HA 0.334 4.974 4.640 -0.000 0.000 0.225 299 D C 0.744 177.142 176.300 0.163 0.000 1.081 299 D CA -0.431 53.777 54.000 0.347 0.000 0.864 299 D CB 0.502 41.500 40.800 0.329 0.000 1.040 299 D HN 0.602 nan 8.370 nan 0.000 0.517 300 L N 2.950 124.194 121.223 0.035 0.000 2.265 300 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 300 L C 2.200 179.045 176.870 -0.041 0.000 1.117 300 L CA 0.776 55.557 54.840 -0.098 0.000 0.782 300 L CB -0.069 41.776 42.059 -0.356 0.000 0.914 300 L HN 0.244 nan 8.230 nan 0.000 0.441 301 R N -1.125 119.326 120.500 -0.082 0.000 2.189 301 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 301 R C 0.175 176.179 176.300 -0.493 0.000 1.074 301 R CA 0.688 56.626 56.100 -0.271 0.000 0.991 301 R CB 0.025 30.135 30.300 -0.318 0.000 0.883 301 R HN 0.402 nan 8.270 nan 0.000 0.457 302 H N -0.386 118.720 119.070 0.061 0.000 2.488 302 H HA 0.308 4.864 4.556 -0.000 0.000 0.237 302 H C -1.179 174.165 175.328 0.027 0.000 1.395 302 H CA -0.396 55.682 56.048 0.049 0.000 1.491 302 H CB 0.564 30.362 29.762 0.060 0.000 1.567 302 H HN 0.045 nan 8.280 nan 0.000 0.508 303 I N 2.150 122.783 120.570 0.106 0.000 2.569 303 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 303 I C 0.144 176.310 176.117 0.081 0.000 1.088 303 I CA -0.560 60.794 61.300 0.091 0.000 1.047 303 I CB 1.539 39.627 38.000 0.146 0.000 1.237 303 I HN 0.373 nan 8.210 nan 0.000 0.421 304 S N 6.550 122.281 115.700 0.053 0.000 2.568 304 S HA 0.293 4.763 4.470 -0.000 0.000 0.282 304 S C -1.927 172.695 174.600 0.038 0.000 1.338 304 S CA -0.670 57.550 58.200 0.034 0.000 1.045 304 S CB 0.828 64.037 63.200 0.014 0.000 0.873 304 S HN 0.541 nan 8.310 nan 0.000 0.516 305 P HA -0.151 nan 4.420 nan 0.000 0.216 305 P C 1.651 178.942 177.300 -0.016 0.000 1.150 305 P CA 1.226 64.319 63.100 -0.013 0.000 0.837 305 P CB 0.021 31.700 31.700 -0.035 0.000 0.786 306 Q N -0.337 119.442 119.800 -0.034 0.000 2.020 306 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 306 Q C 2.080 178.143 176.000 0.105 0.000 0.982 306 Q CA 1.983 57.752 55.803 -0.057 0.000 0.838 306 Q CB -0.702 27.925 28.738 -0.185 0.000 0.899 306 Q HN 0.108 nan 8.270 nan 0.000 0.423 307 A N 1.255 124.154 122.820 0.131 0.000 1.877 307 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 307 A C 2.045 179.744 177.584 0.193 0.000 1.186 307 A CA 1.788 53.935 52.037 0.183 0.000 0.620 307 A CB -0.677 18.399 19.000 0.126 0.000 0.822 307 A HN 0.449 nan 8.150 nan 0.000 0.443 308 K N -0.214 120.284 120.400 0.163 0.000 2.032 308 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 308 K C 2.140 178.729 176.600 -0.018 0.000 1.048 308 K CA 1.462 57.815 56.287 0.109 0.000 0.927 308 K CB -0.404 32.100 32.500 0.007 0.000 0.712 308 K HN 0.332 nan 8.250 nan 0.000 0.441 309 A N 1.372 124.194 122.820 0.003 0.000 1.940 309 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 309 A C 2.080 179.711 177.584 0.078 0.000 1.176 309 A CA 1.518 53.559 52.037 0.006 0.000 0.631 309 A CB -0.632 18.373 19.000 0.009 0.000 0.814 309 A HN 0.437 nan 8.150 nan 0.000 0.446 310 L N -0.337 120.981 121.223 0.159 0.000 2.005 310 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 310 L C 2.223 179.180 176.870 0.145 0.000 1.072 310 L CA 1.740 56.686 54.840 0.177 0.000 0.744 310 L CB -0.523 41.673 42.059 0.228 0.000 0.895 310 L HN 0.372 nan 8.230 nan 0.000 0.433 311 L N -0.882 120.454 121.223 0.188 0.000 2.265 311 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 311 L C 2.081 179.160 176.870 0.349 0.000 1.117 311 L CA 1.071 56.083 54.840 0.287 0.000 0.782 311 L CB -0.375 41.931 42.059 0.412 0.000 0.914 311 L HN 0.455 nan 8.230 nan 0.000 0.441 312 Q N -1.219 118.679 119.800 0.163 0.000 2.247 312 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 312 Q C 0.005 176.043 176.000 0.063 0.000 0.872 312 Q CA -0.293 55.567 55.803 0.095 0.000 0.951 312 Q CB 0.388 29.037 28.738 -0.150 0.000 1.099 312 Q HN 0.234 nan 8.270 nan 0.000 0.501 313 D N 1.789 122.236 120.400 0.079 0.000 2.402 313 D HA -0.067 4.573 4.640 -0.000 0.000 0.268 313 D C 0.618 176.940 176.300 0.037 0.000 1.294 313 D CA 0.577 54.609 54.000 0.053 0.000 0.945 313 D CB 0.703 41.541 40.800 0.064 0.000 1.112 313 D HN 0.080 nan 8.370 nan 0.000 0.517 314 K N 2.664 123.075 120.400 0.019 0.000 2.020 314 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 314 K C 1.238 177.840 176.600 0.004 0.000 1.050 314 K CA 1.422 57.712 56.287 0.006 0.000 0.929 314 K CB 0.190 32.690 32.500 -0.001 0.000 0.714 314 K HN 0.479 nan 8.250 nan 0.000 0.443 315 D N 0.068 120.475 120.400 0.012 0.000 2.144 315 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 315 D C 1.965 178.271 176.300 0.011 0.000 0.978 315 D CA 0.989 54.996 54.000 0.013 0.000 0.833 315 D CB -0.104 40.709 40.800 0.022 0.000 0.961 315 D HN -0.001 nan 8.370 nan 0.000 0.470 316 V N 1.312 121.236 119.914 0.017 0.000 2.379 316 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 316 V C 2.569 178.663 176.094 -0.000 0.000 1.044 316 V CA 0.842 63.151 62.300 0.014 0.000 1.036 316 V CB -0.292 31.545 31.823 0.024 0.000 0.664 316 V HN 0.139 nan 8.190 nan 0.000 0.453 317 I N 0.826 121.394 120.570 -0.003 0.000 2.208 317 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 317 I C 2.665 178.747 176.117 -0.059 0.000 1.097 317 I CA 1.591 62.867 61.300 -0.041 0.000 1.363 317 I CB -0.561 37.406 38.000 -0.055 0.000 1.051 317 I HN 0.300 nan 8.210 nan 0.000 0.413 318 A N 0.850 123.648 122.820 -0.037 0.000 1.933 318 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 318 A C 2.281 179.842 177.584 -0.038 0.000 1.175 318 A CA 1.458 53.473 52.037 -0.037 0.000 0.628 318 A CB -0.740 18.248 19.000 -0.019 0.000 0.814 318 A HN 0.394 nan 8.150 nan 0.000 0.444 319 I N -0.011 120.542 120.570 -0.028 0.000 2.142 319 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 319 I C 2.559 178.644 176.117 -0.053 0.000 1.078 319 I CA 1.513 62.796 61.300 -0.028 0.000 1.343 319 I CB -0.472 37.523 38.000 -0.008 0.000 1.046 319 I HN 0.509 nan 8.210 nan 0.000 0.405 320 N N 0.879 119.539 118.700 -0.068 0.000 2.094 320 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 320 N C 1.569 176.969 175.510 -0.184 0.000 1.023 320 N CA 1.442 54.421 53.050 -0.118 0.000 0.857 320 N CB 0.066 38.485 38.487 -0.115 0.000 1.013 320 N HN 0.390 nan 8.380 nan 0.000 0.426 321 Q N 0.876 120.586 119.800 -0.150 0.000 2.320 321 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 321 Q C -0.559 175.388 176.000 -0.088 0.000 0.910 321 Q CA -0.104 55.606 55.803 -0.154 0.000 0.946 321 Q CB -0.514 28.147 28.738 -0.129 0.000 1.062 321 Q HN 0.390 nan 8.270 nan 0.000 0.503 322 D N 2.447 122.808 120.400 -0.064 0.000 2.581 322 D HA -0.086 4.554 4.640 -0.000 0.000 0.238 322 D C -1.205 175.103 176.300 0.013 0.000 1.145 322 D CA -0.704 53.281 54.000 -0.026 0.000 0.866 322 D CB 1.003 41.786 40.800 -0.029 0.000 1.151 322 D HN -0.005 nan 8.370 nan 0.000 0.500 323 P HA -0.171 nan 4.420 nan 0.000 0.219 323 P C 1.550 178.899 177.300 0.081 0.000 1.146 323 P CA 0.428 63.563 63.100 0.058 0.000 0.808 323 P CB 0.197 31.919 31.700 0.037 0.000 0.779 324 L N -0.074 121.180 121.223 0.051 0.000 2.131 324 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 324 L C 1.606 178.537 176.870 0.102 0.000 1.092 324 L CA 1.929 56.796 54.840 0.045 0.000 0.759 324 L CB -1.466 40.589 42.059 -0.007 0.000 0.903 324 L HN 0.205 nan 8.230 nan 0.000 0.435 325 G N 0.018 108.924 108.800 0.177 0.000 2.273 325 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.280 325 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.280 325 G C 0.340 175.407 174.900 0.280 0.000 1.047 325 G CA 0.455 45.787 45.100 0.387 0.000 0.869 325 G HN 0.402 nan 8.290 nan 0.000 0.502 326 K N 0.271 120.758 120.400 0.147 0.000 2.264 326 K HA 0.294 4.614 4.320 -0.000 0.000 0.277 326 K C 0.655 177.334 176.600 0.132 0.000 1.067 326 K CA -0.478 55.872 56.287 0.106 0.000 0.900 326 K CB 1.121 33.637 32.500 0.026 0.000 1.124 326 K HN 0.487 nan 8.250 nan 0.000 0.469 327 Q N 1.799 121.704 119.800 0.175 0.000 2.330 327 Q HA 0.075 4.415 4.340 -0.000 0.000 0.279 327 Q C 0.228 176.348 176.000 0.200 0.000 1.024 327 Q CA -0.086 55.825 55.803 0.180 0.000 0.900 327 Q CB 0.713 29.563 28.738 0.187 0.000 1.221 327 Q HN 0.765 nan 8.270 nan 0.000 0.396 328 G N 2.161 111.058 108.800 0.163 0.000 2.653 328 G HA2 0.366 4.326 3.960 -0.000 0.000 0.265 328 G HA3 0.366 4.326 3.960 -0.000 0.000 0.265 328 G C -1.251 173.795 174.900 0.245 0.000 1.237 328 G CA -0.101 45.072 45.100 0.122 0.000 0.946 328 G HN 0.754 nan 8.290 nan 0.000 0.522 329 Y N -3.627 116.778 120.300 0.176 0.000 2.656 329 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 329 Y C -0.421 175.301 175.900 -0.297 0.000 1.179 329 Y CA -1.434 56.639 58.100 -0.047 0.000 1.050 329 Y CB 1.093 39.510 38.460 -0.072 0.000 1.308 329 Y HN 0.557 nan 8.280 nan 0.000 0.456 330 Q N 1.872 121.230 119.800 -0.737 0.000 2.293 330 Q HA 0.221 4.561 4.340 -0.000 0.000 0.263 330 Q C -0.172 175.662 176.000 -0.277 0.000 1.002 330 Q CA -0.260 54.908 55.803 -1.059 0.000 0.910 330 Q CB 1.271 29.217 28.738 -1.321 0.000 1.185 330 Q HN 0.914 nan 8.270 nan 0.000 0.401 331 L N 4.557 125.681 121.223 -0.166 0.000 2.168 331 L HA 0.246 4.585 4.340 -0.000 0.000 0.203 331 L C 0.028 176.878 176.870 -0.033 0.000 1.078 331 L CA 1.311 56.164 54.840 0.022 0.000 0.780 331 L CB 0.328 42.413 42.059 0.044 0.000 0.939 331 L HN 0.548 nan 8.230 nan 0.000 0.451 332 R N -0.698 119.765 120.500 -0.063 0.000 2.707 332 R HA 0.532 4.872 4.340 -0.000 0.000 0.272 332 R C -1.391 174.900 176.300 -0.014 0.000 1.011 332 R CA -0.615 55.476 56.100 -0.015 0.000 0.893 332 R CB 1.838 32.168 30.300 0.049 0.000 1.233 332 R HN 0.094 nan 8.270 nan 0.000 0.464 333 Q N 0.715 120.527 119.800 0.020 0.000 2.281 333 Q HA 0.554 4.893 4.340 -0.000 0.000 0.263 333 Q C -1.643 174.401 176.000 0.073 0.000 0.989 333 Q CA -0.575 55.255 55.803 0.044 0.000 0.852 333 Q CB 2.523 31.268 28.738 0.013 0.000 1.337 333 Q HN 0.900 nan 8.270 nan 0.000 0.418 334 G N 2.073 110.940 108.800 0.112 0.000 2.384 334 G HA2 0.280 4.239 3.960 -0.000 0.000 0.300 334 G HA3 0.280 4.239 3.960 -0.000 0.000 0.300 334 G C -0.953 174.056 174.900 0.182 0.000 1.582 334 G CA -0.081 45.094 45.100 0.125 0.000 0.875 334 G HN 0.678 nan 8.290 nan 0.000 0.628 335 D N -0.025 120.449 120.400 0.124 0.000 2.701 335 D HA -0.229 4.410 4.640 -0.000 0.000 0.235 335 D C 0.837 177.081 176.300 -0.094 0.000 1.155 335 D CA 1.857 55.914 54.000 0.096 0.000 0.649 335 D CB -1.300 39.646 40.800 0.243 0.000 1.050 335 D HN 1.029 nan 8.370 nan 0.000 0.425 336 N N -1.570 117.070 118.700 -0.100 0.000 2.714 336 N HA -0.253 4.487 4.740 -0.000 0.000 0.250 336 N C -0.675 174.627 175.510 -0.346 0.000 1.117 336 N CA 1.040 53.969 53.050 -0.201 0.000 0.719 336 N CB -0.866 37.475 38.487 -0.243 0.000 1.081 336 N HN 0.369 nan 8.380 nan 0.000 0.557 337 F N 0.541 120.477 119.950 -0.024 0.000 2.522 337 F HA 0.470 4.997 4.527 -0.000 0.000 0.324 337 F C 0.545 176.288 175.800 -0.095 0.000 1.077 337 F CA -0.749 57.173 58.000 -0.130 0.000 0.944 337 F CB 1.489 40.271 39.000 -0.363 0.000 1.175 337 F HN -0.139 nan 8.300 nan 0.000 0.468 338 E N 1.495 121.787 120.200 0.153 0.000 2.238 338 E HA 0.595 4.945 4.350 -0.000 0.000 0.267 338 E C -1.482 175.204 176.600 0.144 0.000 0.887 338 E CA -0.965 55.542 56.400 0.179 0.000 0.769 338 E CB 2.982 32.919 29.700 0.394 0.000 1.187 338 E HN 0.225 nan 8.360 nan 0.000 0.416 339 V N 2.612 122.586 119.914 0.100 0.000 2.409 339 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 339 V C -1.109 175.072 176.094 0.146 0.000 1.020 339 V CA -0.828 61.542 62.300 0.116 0.000 0.848 339 V CB 0.420 32.269 31.823 0.044 0.000 0.990 339 V HN 0.599 nan 8.190 nan 0.000 0.430 340 W N 2.801 124.071 121.300 -0.050 0.000 2.689 340 W HA 0.766 5.426 4.660 -0.000 0.000 0.340 340 W C 0.126 176.566 176.519 -0.131 0.000 1.060 340 W CA -0.738 56.554 57.345 -0.088 0.000 1.218 340 W CB 1.392 30.818 29.460 -0.058 0.000 1.410 340 W HN 0.685 nan 8.180 nan 0.000 0.528 341 E N 1.069 121.222 120.200 -0.078 0.000 2.408 341 E HA 0.752 5.102 4.350 -0.000 0.000 0.275 341 E C -1.430 175.073 176.600 -0.162 0.000 0.935 341 E CA -1.444 54.915 56.400 -0.067 0.000 0.775 341 E CB 2.894 32.582 29.700 -0.020 0.000 1.277 341 E HN 0.465 nan 8.360 nan 0.000 0.455 342 R N 1.803 122.354 120.500 0.085 0.000 2.538 342 R HA 0.386 4.726 4.340 -0.000 0.000 0.292 342 R C -2.754 173.470 176.300 -0.126 0.000 1.008 342 R CA -2.065 54.041 56.100 0.009 0.000 0.896 342 R CB 2.019 32.325 30.300 0.009 0.000 1.187 342 R HN 0.418 nan 8.270 nan 0.000 0.440 343 P HA 0.161 nan 4.420 nan 0.000 0.276 343 P C -0.809 176.175 177.300 -0.526 0.000 1.230 343 P CA -0.063 62.363 63.100 -1.123 0.000 0.776 343 P CB 1.114 32.204 31.700 -1.016 0.000 0.888 344 L N 1.022 121.943 121.223 -0.503 0.000 2.271 344 L HA 0.437 4.777 4.340 -0.000 0.000 0.265 344 L C 0.857 177.617 176.870 -0.183 0.000 1.013 344 L CA -1.123 53.579 54.840 -0.231 0.000 0.820 344 L CB 1.169 43.149 42.059 -0.132 0.000 1.352 344 L HN 0.241 nan 8.230 nan 0.000 0.443 345 S N 0.119 115.764 115.700 -0.091 0.000 2.573 345 S HA 0.261 4.731 4.470 -0.000 0.000 0.277 345 S C 0.813 175.390 174.600 -0.037 0.000 1.346 345 S CA 0.374 58.543 58.200 -0.053 0.000 1.034 345 S CB 0.713 63.899 63.200 -0.022 0.000 0.879 345 S HN 1.020 nan 8.310 nan 0.000 0.528 346 G N 1.191 109.981 108.800 -0.016 0.000 2.323 346 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.292 346 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.292 346 G C 0.372 175.289 174.900 0.029 0.000 1.040 346 G CA 0.159 45.265 45.100 0.010 0.000 0.942 346 G HN 1.121 nan 8.290 nan 0.000 0.506 347 L N -4.059 117.174 121.223 0.017 0.000 4.429 347 L HA -0.245 4.095 4.340 -0.000 0.000 0.422 347 L C 1.479 178.434 176.870 0.143 0.000 1.149 347 L CA 0.885 55.775 54.840 0.083 0.000 0.972 347 L CB -1.990 40.145 42.059 0.126 0.000 2.059 347 L HN 1.441 nan 8.230 nan 0.000 0.870 348 A N -1.215 121.631 122.820 0.043 0.000 2.264 348 A HA 0.683 5.003 4.320 -0.000 0.000 0.304 348 A C -0.714 176.861 177.584 -0.015 0.000 1.100 348 A CA -0.038 52.063 52.037 0.108 0.000 0.839 348 A CB 0.483 19.522 19.000 0.065 0.000 1.121 348 A HN 0.267 nan 8.150 nan 0.000 0.496 349 W N -0.958 120.368 121.300 0.042 0.000 3.032 349 W HA 0.601 5.261 4.660 -0.000 0.000 0.335 349 W C -0.071 176.457 176.519 0.015 0.000 1.154 349 W CA -0.049 57.314 57.345 0.030 0.000 1.204 349 W CB 2.104 31.582 29.460 0.030 0.000 1.416 349 W HN 0.886 nan 8.180 nan 0.000 0.521 350 A N 1.816 124.769 122.820 0.221 0.000 2.317 350 A HA 0.875 5.195 4.320 -0.000 0.000 0.327 350 A C -1.353 176.321 177.584 0.149 0.000 1.178 350 A CA -0.639 51.481 52.037 0.139 0.000 0.817 350 A CB 0.899 19.942 19.000 0.072 0.000 1.189 350 A HN 0.457 nan 8.150 nan 0.000 0.489 351 V N 1.213 121.186 119.914 0.098 0.000 2.588 351 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 351 V C 0.180 176.308 176.094 0.056 0.000 1.042 351 V CA -0.323 62.022 62.300 0.075 0.000 0.877 351 V CB 1.549 33.395 31.823 0.038 0.000 0.996 351 V HN 1.264 nan 8.190 nan 0.000 0.425 352 A N 6.091 128.957 122.820 0.077 0.000 2.343 352 A HA 0.953 5.273 4.320 -0.000 0.000 0.316 352 A C -0.670 176.958 177.584 0.073 0.000 1.104 352 A CA -0.607 51.459 52.037 0.048 0.000 0.768 352 A CB 1.244 20.241 19.000 -0.004 0.000 1.213 352 A HN 0.821 nan 8.150 nan 0.000 0.456 353 M N 3.684 123.302 119.600 0.031 0.000 2.085 353 M HA 0.422 4.902 4.480 -0.000 0.000 0.309 353 M C -1.115 175.205 176.300 0.033 0.000 0.947 353 M CA 0.087 55.392 55.300 0.008 0.000 0.918 353 M CB 1.351 33.924 32.600 -0.045 0.000 1.504 353 M HN 0.534 nan 8.290 nan 0.000 0.420 354 I N 2.346 122.961 120.570 0.075 0.000 2.385 354 I HA 0.322 4.492 4.170 -0.000 0.000 0.294 354 I C 0.120 176.330 176.117 0.154 0.000 0.988 354 I CA -0.713 60.645 61.300 0.097 0.000 1.265 354 I CB 1.208 39.276 38.000 0.112 0.000 1.388 354 I HN 0.588 nan 8.210 nan 0.000 0.480 355 N N 5.314 124.082 118.700 0.114 0.000 2.462 355 N HA 0.213 4.952 4.740 -0.000 0.000 0.242 355 N C 0.452 175.963 175.510 0.002 0.000 1.010 355 N CA -0.333 52.731 53.050 0.024 0.000 0.939 355 N CB 0.879 39.395 38.487 0.048 0.000 1.127 355 N HN 0.396 nan 8.380 nan 0.000 0.509 356 R N 1.642 122.119 120.500 -0.037 0.000 2.300 356 R HA 0.055 4.395 4.340 -0.000 0.000 0.199 356 R C 0.089 176.404 176.300 0.026 0.000 0.920 356 R CA 0.030 56.173 56.100 0.072 0.000 1.046 356 R CB -0.003 30.336 30.300 0.065 0.000 0.984 356 R HN 0.643 nan 8.270 nan 0.000 0.493 357 Q N 1.597 121.343 119.800 -0.090 0.000 2.296 357 Q HA 0.001 4.341 4.340 -0.000 0.000 0.262 357 Q C -0.433 175.555 176.000 -0.020 0.000 0.981 357 Q CA 0.404 56.163 55.803 -0.074 0.000 0.905 357 Q CB 0.619 29.268 28.738 -0.150 0.000 1.186 357 Q HN 0.137 nan 8.270 nan 0.000 0.399 358 E N 4.931 125.142 120.200 0.018 0.000 2.511 358 E HA 0.260 4.610 4.350 -0.000 0.000 0.214 358 E C -0.567 176.040 176.600 0.011 0.000 1.062 358 E CA -0.049 56.369 56.400 0.030 0.000 1.213 358 E CB 0.409 30.167 29.700 0.097 0.000 1.214 358 E HN 0.524 nan 8.360 nan 0.000 0.441 359 I N -1.029 119.540 120.570 -0.002 0.000 3.006 359 I HA 0.508 4.678 4.170 -0.000 0.000 0.306 359 I C 0.043 176.160 176.117 -0.000 0.000 1.250 359 I CA -0.108 61.193 61.300 0.001 0.000 0.996 359 I CB 1.713 39.716 38.000 0.005 0.000 1.261 359 I HN 0.305 nan 8.210 nan 0.000 0.442 360 G N 3.170 111.974 108.800 0.007 0.000 2.542 360 G HA2 0.088 4.048 3.960 -0.000 0.000 0.235 360 G HA3 0.088 4.048 3.960 -0.000 0.000 0.235 360 G C -0.184 174.728 174.900 0.021 0.000 1.286 360 G CA -0.162 44.948 45.100 0.016 0.000 0.904 360 G HN 1.303 nan 8.290 nan 0.000 0.577 361 G N -0.800 108.022 108.800 0.038 0.000 3.175 361 G HA2 0.803 4.763 3.960 -0.000 0.000 0.255 361 G HA3 0.803 4.763 3.960 -0.000 0.000 0.255 361 G C -2.959 171.989 174.900 0.080 0.000 1.352 361 G CA -0.505 44.625 45.100 0.049 0.000 1.037 361 G HN 0.705 nan 8.290 nan 0.000 0.556 362 P HA 0.199 nan 4.420 nan 0.000 0.262 362 P C -0.478 176.979 177.300 0.261 0.000 1.182 362 P CA 0.338 63.538 63.100 0.167 0.000 0.761 362 P CB 0.515 32.308 31.700 0.155 0.000 0.795 363 R N 2.224 122.880 120.500 0.260 0.000 2.494 363 R HA 0.415 4.755 4.340 -0.000 0.000 0.305 363 R C -0.193 176.219 176.300 0.186 0.000 0.959 363 R CA -0.616 55.644 56.100 0.267 0.000 0.864 363 R CB 1.062 31.518 30.300 0.260 0.000 1.159 363 R HN 0.396 nan 8.270 nan 0.000 0.446 364 S N 3.435 119.094 115.700 -0.068 0.000 2.516 364 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 364 S C -1.129 173.366 174.600 -0.175 0.000 1.286 364 S CA -0.092 57.857 58.200 -0.418 0.000 1.066 364 S CB 0.275 63.190 63.200 -0.474 0.000 0.884 364 S HN 0.497 nan 8.310 nan 0.000 0.491 365 Y N 3.761 123.785 120.300 -0.459 0.000 2.442 365 Y HA 0.552 5.102 4.550 -0.000 0.000 0.344 365 Y C -0.149 175.524 175.900 -0.379 0.000 0.976 365 Y CA -0.441 57.269 58.100 -0.649 0.000 1.040 365 Y CB 1.967 39.750 38.460 -1.129 0.000 1.228 365 Y HN 0.790 nan 8.280 nan 0.000 0.451 366 T N 5.494 119.438 114.554 -1.018 0.000 2.893 366 T HA 0.734 5.084 4.350 -0.000 0.000 0.293 366 T C -1.498 172.698 174.700 -0.840 0.000 1.027 366 T CA -0.660 61.027 62.100 -0.689 0.000 0.988 366 T CB 1.485 70.129 68.868 -0.373 0.000 1.043 366 T HN 0.772 nan 8.240 nan 0.000 0.461 367 I N 1.820 122.115 120.570 -0.459 0.000 2.722 367 I HA 0.683 4.853 4.170 -0.000 0.000 0.295 367 I C -0.275 175.724 176.117 -0.197 0.000 1.161 367 I CA -1.246 59.871 61.300 -0.303 0.000 1.032 367 I CB 1.960 39.871 38.000 -0.149 0.000 1.244 367 I HN 1.084 nan 8.210 nan 0.000 0.421 368 A N 5.283 127.993 122.820 -0.184 0.000 2.488 368 A HA 0.297 4.617 4.320 -0.000 0.000 0.249 368 A C 1.096 178.569 177.584 -0.186 0.000 1.083 368 A CA 0.163 52.088 52.037 -0.187 0.000 0.768 368 A CB 0.485 19.352 19.000 -0.221 0.000 1.017 368 A HN 0.993 nan 8.150 nan 0.000 0.496 369 V N 0.702 120.514 119.914 -0.170 0.000 2.759 369 V HA -0.078 4.042 4.120 -0.000 0.000 0.256 369 V C 2.126 178.114 176.094 -0.177 0.000 1.080 369 V CA 2.040 64.252 62.300 -0.147 0.000 1.101 369 V CB -1.455 30.327 31.823 -0.069 0.000 0.698 369 V HN 1.019 nan 8.190 nan 0.000 0.477 370 A N 0.494 123.102 122.820 -0.352 0.000 2.070 370 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 370 A C 2.341 179.813 177.584 -0.187 0.000 1.159 370 A CA 1.968 53.721 52.037 -0.475 0.000 0.656 370 A CB -0.716 17.590 19.000 -1.156 0.000 0.800 370 A HN 0.592 nan 8.150 nan 0.000 0.453 371 S N -0.720 114.870 115.700 -0.182 0.000 2.527 371 S HA 0.248 4.718 4.470 -0.000 0.000 0.222 371 S C 0.517 175.044 174.600 -0.122 0.000 0.985 371 S CA -0.026 58.103 58.200 -0.118 0.000 0.921 371 S CB -0.246 62.890 63.200 -0.107 0.000 0.772 371 S HN 0.454 nan 8.310 nan 0.000 0.529 372 L N 0.749 121.874 121.223 -0.163 0.000 2.357 372 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 372 L C 1.244 177.837 176.870 -0.461 0.000 1.080 372 L CA -0.450 54.242 54.840 -0.247 0.000 0.803 372 L CB 0.519 42.452 42.059 -0.209 0.000 1.174 372 L HN 0.276 nan 8.230 nan 0.000 0.443 373 G N 1.650 109.936 108.800 -0.856 0.000 2.323 373 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.292 373 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.292 373 G C 0.624 174.929 174.900 -0.990 0.000 1.040 373 G CA 0.782 44.673 45.100 -2.016 0.000 0.942 373 G HN 0.833 nan 8.290 nan 0.000 0.506 374 K N -2.643 117.500 120.400 -0.428 0.000 3.130 374 K HA -0.233 4.087 4.320 -0.000 0.000 0.282 374 K C 1.738 178.329 176.600 -0.016 0.000 1.145 374 K CA 1.454 57.686 56.287 -0.091 0.000 0.831 374 K CB -1.520 31.023 32.500 0.070 0.000 1.226 374 K HN 2.255 nan 8.250 nan 0.000 0.478 375 G N -0.853 107.933 108.800 -0.023 0.000 2.159 375 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 375 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 375 G C 0.514 175.522 174.900 0.181 0.000 0.977 375 G CA 0.606 45.820 45.100 0.190 0.000 0.652 375 G HN 0.688 nan 8.290 nan 0.000 0.531 376 V N -3.093 116.847 119.914 0.043 0.000 3.523 376 V HA 0.673 4.793 4.120 -0.000 0.000 0.255 376 V C 2.675 178.815 176.094 0.077 0.000 1.226 376 V CA 1.238 63.575 62.300 0.062 0.000 1.092 376 V CB -0.369 31.527 31.823 0.121 0.000 0.817 376 V HN 1.180 nan 8.190 nan 0.000 0.458 377 A N 0.108 122.892 122.820 -0.060 0.000 1.917 377 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 377 A C 1.818 179.469 177.584 0.112 0.000 1.182 377 A CA 2.413 54.439 52.037 -0.019 0.000 0.633 377 A CB -0.997 17.788 19.000 -0.359 0.000 0.819 377 A HN 0.719 nan 8.150 nan 0.000 0.448 378 c N -0.364 118.327 118.600 0.152 0.000 2.741 378 c HA 0.379 4.948 4.570 -0.000 0.000 0.267 378 c C 0.352 174.663 174.090 0.368 0.000 1.549 378 c CA -0.872 55.605 56.329 0.248 0.000 1.772 378 c CB -1.992 40.648 42.510 0.217 0.000 2.962 378 c HN 0.606 nan 8.230 nan 0.000 0.514 379 N N 1.809 120.601 118.700 0.153 0.000 2.446 379 N HA 0.276 5.016 4.740 -0.000 0.000 0.265 379 N C -1.567 173.901 175.510 -0.070 0.000 0.975 379 N CA -1.233 51.717 53.050 -0.167 0.000 0.928 379 N CB 1.936 40.052 38.487 -0.620 0.000 1.160 379 N HN 0.094 nan 8.380 nan 0.000 0.495 380 P HA 0.150 nan 4.420 nan 0.000 0.236 380 P C -0.614 176.778 177.300 0.153 0.000 1.177 380 P CA 0.471 63.579 63.100 0.014 0.000 0.773 380 P CB 0.511 32.214 31.700 0.004 0.000 0.878 381 A N -0.730 122.194 122.820 0.174 0.000 2.601 381 A HA 0.622 4.942 4.320 -0.000 0.000 0.291 381 A C -1.236 176.512 177.584 0.273 0.000 1.075 381 A CA -0.305 51.877 52.037 0.242 0.000 0.671 381 A CB 0.924 20.055 19.000 0.219 0.000 1.277 381 A HN 0.268 nan 8.150 nan 0.000 0.417 382 c N -1.409 117.387 118.600 0.327 0.000 2.888 382 c HA 0.849 5.419 4.570 -0.000 0.000 0.308 382 c C -0.793 173.504 174.090 0.344 0.000 1.213 382 c CA -1.016 55.498 56.329 0.308 0.000 1.461 382 c CB 0.417 43.049 42.510 0.203 0.000 1.934 382 c HN 1.109 nan 8.230 nan 0.000 0.474 383 F N 2.411 122.433 119.950 0.120 0.000 2.404 383 F HA 0.768 5.295 4.527 -0.000 0.000 0.345 383 F C -0.055 175.728 175.800 -0.027 0.000 1.110 383 F CA -0.697 57.241 58.000 -0.104 0.000 1.130 383 F CB 0.626 39.418 39.000 -0.347 0.000 1.129 383 F HN 0.568 nan 8.300 nan 0.000 0.500 384 I N 5.181 125.544 120.570 -0.345 0.000 2.404 384 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 384 I C -0.678 175.362 176.117 -0.128 0.000 0.992 384 I CA -0.521 60.669 61.300 -0.184 0.000 1.149 384 I CB 1.922 39.704 38.000 -0.364 0.000 1.315 384 I HN 0.487 nan 8.210 nan 0.000 0.446 385 T N 5.239 119.824 114.554 0.051 0.000 2.809 385 T HA 0.221 4.571 4.350 -0.000 0.000 0.284 385 T C -0.398 174.330 174.700 0.047 0.000 0.992 385 T CA -0.510 61.651 62.100 0.101 0.000 0.957 385 T CB 1.543 70.518 68.868 0.177 0.000 0.942 385 T HN 0.530 nan 8.240 nan 0.000 0.439 386 Q N 3.318 123.139 119.800 0.036 0.000 2.304 386 Q HA 0.321 4.661 4.340 -0.000 0.000 0.260 386 Q C 0.101 176.129 176.000 0.047 0.000 0.965 386 Q CA -0.213 55.610 55.803 0.033 0.000 0.898 386 Q CB 0.532 29.291 28.738 0.034 0.000 1.196 386 Q HN 0.705 nan 8.270 nan 0.000 0.402 387 L N 3.467 124.715 121.223 0.041 0.000 2.388 387 L HA 0.271 4.611 4.340 -0.000 0.000 0.209 387 L C 0.129 177.027 176.870 0.047 0.000 1.061 387 L CA 0.250 55.117 54.840 0.044 0.000 0.834 387 L CB 0.350 42.431 42.059 0.037 0.000 1.029 387 L HN 0.517 nan 8.230 nan 0.000 0.473 388 L N -0.153 121.091 121.223 0.035 0.000 2.388 388 L HA 0.347 4.687 4.340 -0.000 0.000 0.264 388 L C -1.752 175.137 176.870 0.031 0.000 0.998 388 L CA -1.605 53.253 54.840 0.031 0.000 0.817 388 L CB 2.485 44.533 42.059 -0.018 0.000 1.338 388 L HN -0.302 nan 8.230 nan 0.000 0.414 389 P HA -0.078 nan 4.420 nan 0.000 0.221 389 P C 0.084 177.501 177.300 0.195 0.000 1.150 389 P CA 0.970 64.143 63.100 0.121 0.000 0.800 389 P CB 0.241 32.050 31.700 0.182 0.000 0.787 390 V N -3.968 116.025 119.914 0.132 0.000 3.040 390 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 390 V C -0.335 175.806 176.094 0.078 0.000 1.115 390 V CA -1.857 60.509 62.300 0.111 0.000 0.998 390 V CB 2.293 34.170 31.823 0.091 0.000 1.042 390 V HN -0.248 nan 8.190 nan 0.000 0.433 391 K N 2.671 123.112 120.400 0.068 0.000 2.312 391 K HA 0.534 4.854 4.320 -0.000 0.000 0.287 391 K C -0.377 176.257 176.600 0.057 0.000 1.062 391 K CA -0.417 55.905 56.287 0.059 0.000 0.934 391 K CB 0.516 33.047 32.500 0.052 0.000 1.027 391 K HN 0.865 nan 8.250 nan 0.000 0.478 392 R N 4.164 124.701 120.500 0.062 0.000 2.522 392 R HA 0.126 4.466 4.340 -0.000 0.000 0.273 392 R C -1.269 175.078 176.300 0.078 0.000 1.133 392 R CA -0.683 55.455 56.100 0.064 0.000 0.969 392 R CB 1.143 31.476 30.300 0.054 0.000 1.235 392 R HN 0.600 nan 8.270 nan 0.000 0.433 393 K N 4.560 125.025 120.400 0.108 0.000 2.379 393 K HA 0.142 4.462 4.320 -0.000 0.000 0.284 393 K C 0.967 177.588 176.600 0.035 0.000 1.044 393 K CA 0.042 56.425 56.287 0.159 0.000 0.974 393 K CB 0.925 33.611 32.500 0.309 0.000 0.962 393 K HN 0.487 nan 8.250 nan 0.000 0.474 394 L N 1.834 123.004 121.223 -0.088 0.000 2.463 394 L HA 0.142 4.482 4.340 -0.000 0.000 0.219 394 L C 1.088 177.847 176.870 -0.184 0.000 1.088 394 L CA 0.235 55.040 54.840 -0.059 0.000 0.849 394 L CB -0.253 41.832 42.059 0.044 0.000 1.012 394 L HN 1.050 nan 8.230 nan 0.000 0.468 395 G N -0.011 108.352 108.800 -0.729 0.000 2.526 395 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.250 395 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.250 395 G C -0.785 173.571 174.900 -0.906 0.000 1.289 395 G CA -0.892 43.654 45.100 -0.924 0.000 0.947 395 G HN -0.107 nan 8.290 nan 0.000 0.517 396 F N 0.326 120.101 119.950 -0.293 0.000 2.412 396 F HA 0.634 5.160 4.527 -0.000 0.000 0.348 396 F C 0.338 176.055 175.800 -0.139 0.000 1.102 396 F CA 0.273 58.241 58.000 -0.054 0.000 1.196 396 F CB 0.968 40.007 39.000 0.065 0.000 1.144 396 F HN 0.374 nan 8.300 nan 0.000 0.541 397 Y N 2.197 122.578 120.300 0.135 0.000 2.331 397 Y HA 0.306 4.856 4.550 -0.000 0.000 0.334 397 Y C 0.178 176.153 175.900 0.125 0.000 0.960 397 Y CA -1.138 57.006 58.100 0.075 0.000 1.130 397 Y CB 0.972 39.435 38.460 0.005 0.000 1.164 397 Y HN 0.467 nan 8.280 nan 0.000 0.458 398 E N 1.114 121.422 120.200 0.181 0.000 2.371 398 E HA -0.092 4.258 4.350 -0.000 0.000 0.257 398 E C 0.462 177.200 176.600 0.229 0.000 1.134 398 E CA -0.283 56.227 56.400 0.183 0.000 0.919 398 E CB 0.627 30.394 29.700 0.112 0.000 1.025 398 E HN 0.891 nan 8.360 nan 0.000 0.438 399 W N 2.008 123.341 121.300 0.055 0.000 2.387 399 W HA -0.181 4.479 4.660 -0.000 0.000 0.272 399 W C 1.902 178.435 176.519 0.023 0.000 1.224 399 W CA 2.273 59.639 57.345 0.035 0.000 1.210 399 W CB -0.184 29.289 29.460 0.022 0.000 1.125 399 W HN 0.578 nan 8.180 nan 0.000 0.572 400 T N -2.768 111.812 114.554 0.044 0.000 3.085 400 T HA 0.088 4.438 4.350 -0.000 0.000 0.263 400 T C 1.111 175.757 174.700 -0.090 0.000 1.127 400 T CA 0.509 62.562 62.100 -0.079 0.000 1.103 400 T CB -0.394 68.475 68.868 0.002 0.000 0.921 400 T HN -0.125 nan 8.240 nan 0.000 0.510 401 S N 1.333 117.018 115.700 -0.025 0.000 2.600 401 S HA 0.449 4.919 4.470 -0.000 0.000 0.265 401 S C 0.230 174.831 174.600 0.001 0.000 1.325 401 S CA -0.667 57.547 58.200 0.022 0.000 1.002 401 S CB 0.609 63.894 63.200 0.141 0.000 0.921 401 S HN 0.425 nan 8.310 nan 0.000 0.554 402 R N 0.712 121.233 120.500 0.034 0.000 2.599 402 R HA 0.423 4.762 4.340 -0.000 0.000 0.295 402 R C -1.035 175.320 176.300 0.092 0.000 0.963 402 R CA -0.633 55.464 56.100 -0.005 0.000 0.883 402 R CB 1.321 31.579 30.300 -0.070 0.000 1.171 402 R HN 0.485 nan 8.270 nan 0.000 0.450 403 L N 3.623 124.837 121.223 -0.015 0.000 2.281 403 L HA 0.345 4.685 4.340 -0.000 0.000 0.285 403 L C -0.326 176.505 176.870 -0.065 0.000 1.074 403 L CA -0.435 54.375 54.840 -0.050 0.000 0.817 403 L CB 0.491 42.426 42.059 -0.206 0.000 1.168 403 L HN 0.469 nan 8.230 nan 0.000 0.434 404 R N 3.626 124.127 120.500 0.001 0.000 2.387 404 R HA 0.565 4.905 4.340 -0.000 0.000 0.314 404 R C -1.389 174.909 176.300 -0.003 0.000 0.958 404 R CA -0.221 55.855 56.100 -0.040 0.000 0.846 404 R CB 1.809 32.104 30.300 -0.009 0.000 1.147 404 R HN 0.545 nan 8.270 nan 0.000 0.447 405 S N 2.284 117.957 115.700 -0.044 0.000 2.541 405 S HA 0.438 4.908 4.470 -0.000 0.000 0.271 405 S C -1.835 172.738 174.600 -0.045 0.000 1.133 405 S CA -0.743 57.470 58.200 0.021 0.000 0.876 405 S CB 0.651 63.874 63.200 0.038 0.000 1.105 405 S HN 0.777 nan 8.310 nan 0.000 0.470 406 H N 1.813 120.921 119.070 0.064 0.000 2.511 406 H HA 0.601 5.157 4.556 -0.000 0.000 0.328 406 H C -0.693 174.695 175.328 0.100 0.000 1.044 406 H CA -0.193 55.909 56.048 0.090 0.000 1.212 406 H CB 0.898 30.704 29.762 0.072 0.000 1.428 406 H HN 0.389 nan 8.280 nan 0.000 0.483 407 I N 2.959 123.661 120.570 0.220 0.000 2.406 407 I HA 0.201 4.370 4.170 -0.000 0.000 0.290 407 I C -0.258 175.950 176.117 0.151 0.000 0.999 407 I CA -1.007 60.398 61.300 0.175 0.000 1.124 407 I CB 1.320 39.436 38.000 0.193 0.000 1.289 407 I HN 0.545 nan 8.210 nan 0.000 0.441 408 N N 6.832 125.585 118.700 0.089 0.000 2.454 408 N HA 0.130 4.870 4.740 -0.000 0.000 0.254 408 N C -2.458 173.050 175.510 -0.004 0.000 1.228 408 N CA -1.341 51.735 53.050 0.044 0.000 0.900 408 N CB 0.054 38.552 38.487 0.019 0.000 1.089 408 N HN 0.244 nan 8.380 nan 0.000 0.449 409 P HA -0.067 nan 4.420 nan 0.000 0.258 409 P C 0.595 177.797 177.300 -0.164 0.000 1.172 409 P CA 0.913 63.974 63.100 -0.066 0.000 0.762 409 P CB 0.020 31.689 31.700 -0.052 0.000 0.764 410 T N -0.759 113.682 114.554 -0.188 0.000 6.974 410 T HA -0.181 4.169 4.350 -0.000 0.000 0.287 410 T C 0.663 175.100 174.700 -0.439 0.000 2.146 410 T CA 0.937 62.759 62.100 -0.463 0.000 3.451 410 T CB -2.304 65.927 68.868 -1.061 0.000 1.630 410 T HN 0.642 nan 8.240 nan 0.000 1.173 411 G N -0.394 108.267 108.800 -0.231 0.000 2.522 411 G HA2 0.608 4.567 3.960 -0.000 0.000 0.304 411 G HA3 0.608 4.567 3.960 -0.000 0.000 0.304 411 G C -0.626 174.216 174.900 -0.097 0.000 1.210 411 G CA -0.019 44.965 45.100 -0.194 0.000 0.960 411 G HN 0.619 nan 8.290 nan 0.000 0.497 412 T N -0.560 113.931 114.554 -0.104 0.000 2.893 412 T HA 0.448 4.798 4.350 -0.000 0.000 0.293 412 T C -0.660 174.017 174.700 -0.039 0.000 1.027 412 T CA -0.293 61.774 62.100 -0.055 0.000 0.988 412 T CB 1.964 70.786 68.868 -0.077 0.000 1.043 412 T HN 0.307 nan 8.240 nan 0.000 0.461 413 V N 3.809 123.721 119.914 -0.003 0.000 2.370 413 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 413 V C -0.498 175.598 176.094 0.002 0.000 1.029 413 V CA -0.685 61.620 62.300 0.008 0.000 0.870 413 V CB 1.233 33.075 31.823 0.031 0.000 0.984 413 V HN 0.662 nan 8.190 nan 0.000 0.451 414 L N 7.475 128.699 121.223 0.001 0.000 2.313 414 L HA 0.721 5.061 4.340 -0.000 0.000 0.283 414 L C -0.831 176.048 176.870 0.015 0.000 1.013 414 L CA 0.164 55.007 54.840 0.006 0.000 0.816 414 L CB 1.312 43.370 42.059 -0.002 0.000 1.236 414 L HN 0.534 nan 8.230 nan 0.000 0.419 415 L N 4.065 125.299 121.223 0.018 0.000 2.370 415 L HA 0.619 4.959 4.340 -0.000 0.000 0.266 415 L C -0.675 176.219 176.870 0.039 0.000 1.002 415 L CA -0.644 54.205 54.840 0.015 0.000 0.818 415 L CB 1.977 44.023 42.059 -0.022 0.000 1.325 415 L HN 0.586 nan 8.230 nan 0.000 0.418 416 Q N 1.787 121.617 119.800 0.050 0.000 2.322 416 Q HA 0.610 4.950 4.340 -0.000 0.000 0.265 416 Q C -1.697 174.359 176.000 0.094 0.000 0.985 416 Q CA -0.740 55.112 55.803 0.081 0.000 0.849 416 Q CB 1.631 30.416 28.738 0.079 0.000 1.274 416 Q HN 0.427 nan 8.270 nan 0.000 0.449 417 L N 3.827 125.128 121.223 0.131 0.000 2.296 417 L HA 0.412 4.752 4.340 -0.000 0.000 0.286 417 L C -0.542 176.446 176.870 0.197 0.000 1.023 417 L CA -0.153 54.773 54.840 0.143 0.000 0.812 417 L CB 1.639 43.777 42.059 0.130 0.000 1.223 417 L HN 0.589 nan 8.230 nan 0.000 0.421 418 E N 2.847 123.167 120.200 0.200 0.000 2.129 418 E HA 0.211 4.561 4.350 -0.000 0.000 0.268 418 E C -0.575 176.159 176.600 0.224 0.000 0.900 418 E CA -0.529 55.990 56.400 0.198 0.000 0.755 418 E CB 1.792 31.591 29.700 0.166 0.000 1.117 418 E HN 0.420 nan 8.360 nan 0.000 0.410 419 N N 1.627 120.455 118.700 0.214 0.000 2.458 419 N HA -0.038 4.702 4.740 -0.000 0.000 0.258 419 N C 0.884 176.513 175.510 0.197 0.000 1.219 419 N CA 0.486 53.658 53.050 0.204 0.000 0.902 419 N CB 0.910 39.506 38.487 0.183 0.000 1.076 419 N HN 0.389 nan 8.380 nan 0.000 0.455 420 T N 0.786 115.471 114.554 0.218 0.000 3.088 420 T HA 0.081 4.431 4.350 -0.000 0.000 0.259 420 T C 0.822 175.607 174.700 0.141 0.000 1.122 420 T CA -0.080 62.158 62.100 0.230 0.000 1.095 420 T CB 0.049 69.086 68.868 0.282 0.000 0.930 420 T HN 0.586 nan 8.240 nan 0.000 0.508 421 M N 0.000 119.665 119.600 0.108 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.341 55.300 0.068 0.000 0.988 421 M CB 0.000 32.637 32.600 0.062 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411