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 3gxn_1_B 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 0.000 176.883 176.870 0.021 0.000 1.165 32 L CA 0.000 54.866 54.840 0.044 0.000 0.813 32 L CB 0.000 42.146 42.059 0.146 0.000 0.961 33 D N 2.134 122.525 120.400 -0.016 0.000 2.885 33 D HA 0.168 4.809 4.640 0.002 0.000 0.234 33 D C 0.721 177.024 176.300 0.006 0.000 1.129 33 D CA 0.323 54.317 54.000 -0.011 0.000 0.991 33 D CB 0.122 40.903 40.800 -0.032 0.000 1.137 33 D HN 0.608 nan 8.370 nan 0.000 0.459 34 N N -0.343 118.376 118.700 0.031 0.000 2.314 34 N HA 0.111 4.852 4.740 0.002 0.000 0.200 34 N C 1.452 176.992 175.510 0.051 0.000 1.135 34 N CA 0.227 53.301 53.050 0.040 0.000 0.835 34 N CB 0.203 38.724 38.487 0.056 0.000 0.989 34 N HN 0.108 nan 8.380 nan 0.000 0.478 35 G N -0.271 108.557 108.800 0.046 0.000 2.180 35 G HA2 -0.301 3.660 3.960 0.002 0.000 0.263 35 G HA3 -0.301 3.660 3.960 0.002 0.000 0.263 35 G C -0.224 174.726 174.900 0.084 0.000 0.989 35 G CA 0.834 45.967 45.100 0.055 0.000 0.692 35 G HN 0.385 nan 8.290 nan 0.000 0.526 36 L N -1.652 119.632 121.223 0.101 0.000 2.335 36 L HA 0.678 5.019 4.340 0.002 0.000 0.268 36 L C 1.795 178.770 176.870 0.176 0.000 1.016 36 L CA -0.586 54.339 54.840 0.142 0.000 0.805 36 L CB 1.275 43.421 42.059 0.146 0.000 1.311 36 L HN 1.008 nan 8.230 nan 0.000 0.456 37 A N 0.329 123.289 122.820 0.232 0.000 2.771 37 A HA -0.221 4.099 4.320 0.002 0.000 0.294 37 A C 1.645 179.506 177.584 0.462 0.000 1.500 37 A CA 0.799 53.058 52.037 0.371 0.000 0.829 37 A CB -1.274 18.000 19.000 0.457 0.000 0.998 37 A HN 0.750 nan 8.150 nan 0.000 0.526 38 R N -0.066 120.614 120.500 0.299 0.000 2.200 38 R HA -0.085 4.256 4.340 0.002 0.000 0.234 38 R C 1.230 177.799 176.300 0.449 0.000 1.127 38 R CA 1.659 57.927 56.100 0.280 0.000 0.989 38 R CB -1.344 29.058 30.300 0.170 0.000 0.869 38 R HN 1.195 nan 8.270 nan 0.000 0.459 39 T N -2.700 112.096 114.554 0.403 0.000 2.930 39 T HA 0.533 4.884 4.350 0.002 0.000 0.290 39 T C -2.974 171.702 174.700 -0.041 0.000 1.052 39 T CA -2.680 59.565 62.100 0.241 0.000 1.017 39 T CB 2.932 71.804 68.868 0.006 0.000 1.137 39 T HN -0.269 nan 8.240 nan 0.000 0.511 40 P HA 0.164 nan 4.420 nan 0.000 0.263 40 P C -0.059 176.958 177.300 -0.473 0.000 1.195 40 P CA 0.058 62.450 63.100 -1.179 0.000 0.762 40 P CB -0.212 30.772 31.700 -1.194 0.000 0.799 41 T N 5.128 119.520 114.554 -0.271 0.000 2.908 41 T HA 0.134 4.485 4.350 0.002 0.000 0.301 41 T C 0.527 174.941 174.700 -0.477 0.000 1.019 41 T CA 0.287 62.251 62.100 -0.225 0.000 1.152 41 T CB -0.308 68.508 68.868 -0.086 0.000 0.966 41 T HN 0.269 nan 8.240 nan 0.000 0.540 42 M N 2.760 122.181 119.600 -0.298 0.000 2.268 42 M HA 0.629 5.110 4.480 0.002 0.000 0.344 42 M C 0.802 177.088 176.300 -0.023 0.000 1.106 42 M CA -0.348 54.772 55.300 -0.300 0.000 1.010 42 M CB 2.131 34.494 32.600 -0.395 0.000 1.649 42 M HN 0.891 nan 8.290 nan 0.000 0.443 43 G N 1.369 110.198 108.800 0.048 0.000 2.635 43 G HA2 0.493 4.454 3.960 0.002 0.000 0.194 43 G HA3 0.493 4.454 3.960 0.002 0.000 0.194 43 G C -2.744 172.490 174.900 0.555 0.000 1.198 43 G CA -0.554 44.813 45.100 0.447 0.000 0.972 43 G HN 0.733 nan 8.290 nan 0.000 0.520 44 W N 0.002 121.559 121.300 0.428 0.000 3.274 44 W HA 0.772 5.433 4.660 0.002 0.000 0.327 44 W C -1.954 174.793 176.519 0.380 0.000 1.172 44 W CA -0.800 56.711 57.345 0.278 0.000 1.217 44 W CB 1.616 31.110 29.460 0.057 0.000 1.376 44 W HN 0.460 nan 8.180 nan 0.000 0.507 45 L N 5.951 127.041 121.223 -0.222 0.000 2.410 45 L HA 0.253 4.593 4.340 0.002 0.000 0.270 45 L C 0.951 177.348 176.870 -0.788 0.000 0.983 45 L CA -0.664 54.021 54.840 -0.258 0.000 0.822 45 L CB 1.947 43.924 42.059 -0.137 0.000 1.285 45 L HN 0.942 nan 8.230 nan 0.000 0.409 46 H N 2.717 121.536 119.070 -0.418 0.000 2.428 46 H HA -0.145 4.412 4.556 0.002 0.000 0.296 46 H C 1.670 177.025 175.328 0.045 0.000 1.062 46 H CA 1.284 57.166 56.048 -0.276 0.000 1.350 46 H CB -0.138 29.736 29.762 0.186 0.000 1.403 46 H HN 0.720 nan 8.280 nan 0.000 0.533 47 W N 2.202 123.223 121.300 -0.464 0.000 2.280 47 W HA -0.293 4.368 4.660 0.001 0.000 0.332 47 W C 2.063 178.563 176.519 -0.032 0.000 1.300 47 W CA 2.466 59.669 57.345 -0.237 0.000 1.274 47 W CB -0.179 29.122 29.460 -0.265 0.000 1.141 47 W HN 0.438 nan 8.180 nan 0.000 0.474 48 E N 0.582 120.745 120.200 -0.062 0.000 2.072 48 E HA -0.237 4.114 4.350 0.002 0.000 0.191 48 E C 2.145 178.605 176.600 -0.234 0.000 0.985 48 E CA 1.478 57.791 56.400 -0.145 0.000 0.801 48 E CB -0.317 29.363 29.700 -0.034 0.000 0.750 48 E HN 0.131 nan 8.360 nan 0.000 0.452 49 R N -0.847 119.529 120.500 -0.206 0.000 2.161 49 R HA 0.008 4.349 4.340 0.002 0.000 0.213 49 R C 1.591 177.544 176.300 -0.579 0.000 1.055 49 R CA 1.102 56.986 56.100 -0.361 0.000 0.996 49 R CB -0.368 29.701 30.300 -0.385 0.000 0.901 49 R HN 0.132 nan 8.270 nan 0.000 0.456 50 F N -0.850 119.049 119.950 -0.086 0.000 2.752 50 F HA 0.375 4.903 4.527 0.002 0.000 0.310 50 F C 0.997 176.706 175.800 -0.152 0.000 1.097 50 F CA 0.068 58.041 58.000 -0.045 0.000 1.238 50 F CB 0.137 39.169 39.000 0.053 0.000 1.061 50 F HN -0.161 nan 8.300 nan 0.000 0.591 51 M N -1.043 118.381 119.600 -0.292 0.000 7.319 51 M HA -0.414 4.067 4.480 0.002 0.000 0.104 51 M C 0.452 176.536 176.300 -0.360 0.000 0.480 51 M CA 1.489 56.252 55.300 -0.894 0.000 1.311 51 M CB -1.386 30.818 32.600 -0.660 0.000 0.421 51 M HN 0.186 nan 8.290 nan 0.000 0.263 52 c N 2.410 120.892 118.600 -0.197 0.000 2.438 52 c HA 0.379 4.950 4.570 0.002 0.000 0.366 52 c C 0.115 174.282 174.090 0.129 0.000 1.390 52 c CA -0.485 55.934 56.329 0.150 0.000 1.725 52 c CB -1.915 40.776 42.510 0.301 0.000 2.664 52 c HN 0.492 nan 8.230 nan 0.000 0.578 53 N N 1.362 120.113 118.700 0.084 0.000 2.406 53 N HA 0.246 4.987 4.740 0.002 0.000 0.251 53 N C 0.174 175.728 175.510 0.073 0.000 1.069 53 N CA -0.138 52.951 53.050 0.064 0.000 0.947 53 N CB 0.826 39.346 38.487 0.054 0.000 1.111 53 N HN 0.377 nan 8.380 nan 0.000 0.497 54 L N 1.905 123.174 121.223 0.078 0.000 2.693 54 L HA 0.286 4.627 4.340 0.002 0.000 0.235 54 L C 0.165 177.061 176.870 0.043 0.000 1.127 54 L CA 0.111 54.997 54.840 0.077 0.000 0.914 54 L CB -0.213 41.919 42.059 0.122 0.000 1.193 54 L HN 0.492 nan 8.230 nan 0.000 0.502 55 D N -0.804 119.614 120.400 0.030 0.000 2.441 55 D HA 0.128 4.769 4.640 0.002 0.000 0.221 55 D C 0.530 176.831 176.300 0.002 0.000 1.156 55 D CA -0.065 53.944 54.000 0.015 0.000 0.896 55 D CB 0.704 41.511 40.800 0.012 0.000 1.028 55 D HN 0.189 nan 8.370 nan 0.000 0.509 56 c N 3.374 121.970 118.600 -0.008 0.000 2.855 56 c HA 0.188 4.759 4.570 0.002 0.000 0.279 56 c C 1.994 176.073 174.090 -0.019 0.000 1.270 56 c CA -0.642 55.674 56.329 -0.021 0.000 1.702 56 c CB -0.300 42.185 42.510 -0.042 0.000 1.949 56 c HN 0.539 nan 8.230 nan 0.000 0.618 57 Q N 2.161 121.954 119.800 -0.012 0.000 1.856 57 Q HA -0.109 4.232 4.340 0.002 0.000 0.228 57 Q C 1.854 177.847 176.000 -0.010 0.000 0.987 57 Q CA 1.651 57.448 55.803 -0.011 0.000 0.873 57 Q CB -0.361 28.373 28.738 -0.006 0.000 0.928 57 Q HN 0.669 nan 8.270 nan 0.000 0.425 58 E N 0.233 120.429 120.200 -0.008 0.000 2.385 58 E HA -0.030 4.321 4.350 0.002 0.000 0.194 58 E C -0.072 176.523 176.600 -0.009 0.000 1.013 58 E CA 0.201 56.595 56.400 -0.009 0.000 0.866 58 E CB 0.323 30.017 29.700 -0.009 0.000 0.832 58 E HN 0.283 nan 8.360 nan 0.000 0.500 59 E N 0.742 120.939 120.200 -0.006 0.000 3.568 59 E HA 0.074 4.425 4.350 0.002 0.000 0.213 59 E C -2.026 174.574 176.600 0.000 0.000 1.197 59 E CA -1.357 55.042 56.400 -0.001 0.000 1.126 59 E CB 1.069 30.771 29.700 0.003 0.000 1.285 59 E HN 0.017 nan 8.360 nan 0.000 0.418 60 P HA -0.166 nan 4.420 nan 0.000 0.226 60 P C 0.121 177.411 177.300 -0.017 0.000 1.146 60 P CA 1.066 64.154 63.100 -0.021 0.000 0.773 60 P CB 0.492 32.178 31.700 -0.024 0.000 0.772 61 D N -0.940 119.469 120.400 0.014 0.000 2.327 61 D HA 0.014 4.655 4.640 0.002 0.000 0.205 61 D C 1.704 178.067 176.300 0.104 0.000 0.989 61 D CA 0.873 54.900 54.000 0.044 0.000 0.873 61 D CB 0.133 40.977 40.800 0.074 0.000 0.955 61 D HN 0.209 nan 8.370 nan 0.000 0.515 62 S N -0.099 115.677 115.700 0.127 0.000 2.497 62 S HA 0.005 4.476 4.470 0.002 0.000 0.218 62 S C 1.254 175.937 174.600 0.140 0.000 1.023 62 S CA -0.444 57.921 58.200 0.276 0.000 0.913 62 S CB -0.043 63.283 63.200 0.211 0.000 0.800 62 S HN 0.375 nan 8.310 nan 0.000 0.505 63 c N 3.901 122.520 118.600 0.032 0.000 2.334 63 c HA 0.066 4.637 4.570 0.002 0.000 0.395 63 c C 0.477 174.510 174.090 -0.094 0.000 1.507 63 c CA -0.790 55.526 56.329 -0.020 0.000 1.494 63 c CB -1.957 40.528 42.510 -0.042 0.000 2.509 63 c HN 0.394 nan 8.230 nan 0.000 0.599 64 I N 7.502 128.028 120.570 -0.072 0.000 2.576 64 I HA 0.206 4.377 4.170 0.002 0.000 0.288 64 I C 0.826 176.859 176.117 -0.140 0.000 1.126 64 I CA 1.579 62.822 61.300 -0.096 0.000 1.362 64 I CB -0.188 37.814 38.000 0.003 0.000 1.419 64 I HN 0.917 nan 8.210 nan 0.000 0.533 65 S N 3.273 118.813 115.700 -0.266 0.000 2.607 65 S HA 0.411 4.882 4.470 0.002 0.000 0.273 65 S C 0.661 174.953 174.600 -0.513 0.000 1.148 65 S CA -0.969 56.899 58.200 -0.553 0.000 0.833 65 S CB 1.402 64.402 63.200 -0.334 0.000 1.130 65 S HN 0.592 nan 8.310 nan 0.000 0.470 66 E N 1.374 121.137 120.200 -0.729 0.000 2.085 66 E HA -0.243 4.108 4.350 0.002 0.000 0.194 66 E C 1.059 177.624 176.600 -0.058 0.000 0.994 66 E CA 1.322 57.632 56.400 -0.149 0.000 0.801 66 E CB -0.617 29.065 29.700 -0.029 0.000 0.743 66 E HN 0.588 nan 8.360 nan 0.000 0.453 67 K N 0.750 121.056 120.400 -0.157 0.000 2.160 67 K HA -0.159 4.162 4.320 0.002 0.000 0.206 67 K C 1.988 178.490 176.600 -0.164 0.000 1.047 67 K CA 1.063 57.266 56.287 -0.141 0.000 0.930 67 K CB -0.361 32.056 32.500 -0.138 0.000 0.720 67 K HN 0.089 nan 8.250 nan 0.000 0.450 68 L N -0.297 120.788 121.223 -0.231 0.000 2.027 68 L HA -0.043 4.298 4.340 0.002 0.000 0.206 68 L C 1.762 178.361 176.870 -0.453 0.000 1.074 68 L CA 1.650 56.245 54.840 -0.408 0.000 0.745 68 L CB -0.396 41.294 42.059 -0.616 0.000 0.898 68 L HN 0.067 nan 8.230 nan 0.000 0.433 69 F N -1.202 118.661 119.950 -0.144 0.000 2.113 69 F HA -0.187 4.341 4.527 0.002 0.000 0.297 69 F C 2.555 178.305 175.800 -0.083 0.000 1.103 69 F CA 1.495 59.438 58.000 -0.093 0.000 1.248 69 F CB -0.650 38.390 39.000 0.067 0.000 0.999 69 F HN -0.006 nan 8.300 nan 0.000 0.475 70 M N -0.067 119.601 119.600 0.114 0.000 2.113 70 M HA -0.348 4.133 4.480 0.002 0.000 0.255 70 M C 2.323 178.633 176.300 0.016 0.000 1.073 70 M CA 2.110 57.415 55.300 0.009 0.000 1.091 70 M CB -0.575 31.910 32.600 -0.192 0.000 1.309 70 M HN 0.245 nan 8.290 nan 0.000 0.407 71 E N -0.531 119.617 120.200 -0.087 0.000 2.107 71 E HA -0.178 4.173 4.350 0.002 0.000 0.191 71 E C 2.011 178.516 176.600 -0.159 0.000 0.982 71 E CA 0.903 57.240 56.400 -0.105 0.000 0.809 71 E CB 0.192 29.809 29.700 -0.137 0.000 0.756 71 E HN 0.358 nan 8.360 nan 0.000 0.459 72 M N 0.443 119.863 119.600 -0.299 0.000 2.117 72 M HA -0.109 4.372 4.480 0.002 0.000 0.262 72 M C 2.397 178.523 176.300 -0.289 0.000 1.065 72 M CA 1.388 56.403 55.300 -0.475 0.000 1.114 72 M CB -1.269 30.733 32.600 -0.996 0.000 1.361 72 M HN 0.168 nan 8.290 nan 0.000 0.408 73 A N 0.195 122.941 122.820 -0.124 0.000 1.852 73 A HA -0.233 4.088 4.320 0.002 0.000 0.217 73 A C 2.129 179.717 177.584 0.007 0.000 1.215 73 A CA 2.128 54.163 52.037 -0.004 0.000 0.641 73 A CB -1.002 18.085 19.000 0.145 0.000 0.838 73 A HN 0.426 nan 8.150 nan 0.000 0.450 74 E N -0.612 119.630 120.200 0.070 0.000 2.172 74 E HA -0.246 4.104 4.350 0.002 0.000 0.213 74 E C 1.858 178.475 176.600 0.029 0.000 1.051 74 E CA 1.849 58.288 56.400 0.065 0.000 0.860 74 E CB -0.443 29.301 29.700 0.074 0.000 0.755 74 E HN 0.452 nan 8.360 nan 0.000 0.462 75 L N -0.479 120.742 121.223 -0.003 0.000 2.162 75 L HA 0.010 4.351 4.340 0.002 0.000 0.205 75 L C 2.538 179.505 176.870 0.162 0.000 1.086 75 L CA 0.920 55.786 54.840 0.043 0.000 0.778 75 L CB -0.410 41.645 42.059 -0.006 0.000 0.928 75 L HN 0.149 nan 8.230 nan 0.000 0.446 76 M N -1.700 117.958 119.600 0.096 0.000 2.144 76 M HA -0.244 4.236 4.480 0.002 0.000 0.260 76 M C 2.076 178.541 176.300 0.274 0.000 1.067 76 M CA 1.406 56.857 55.300 0.252 0.000 1.095 76 M CB -0.429 32.219 32.600 0.081 0.000 1.365 76 M HN 0.100 nan 8.290 nan 0.000 0.406 77 V N -0.626 119.369 119.914 0.134 0.000 2.255 77 V HA -0.216 3.905 4.120 0.002 0.000 0.243 77 V C 2.283 178.417 176.094 0.068 0.000 1.038 77 V CA 2.111 64.460 62.300 0.082 0.000 1.008 77 V CB -0.957 30.885 31.823 0.032 0.000 0.645 77 V HN 0.417 nan 8.190 nan 0.000 0.449 78 S N 0.375 116.113 115.700 0.063 0.000 2.368 78 S HA -0.227 4.244 4.470 0.002 0.000 0.226 78 S C 1.514 176.119 174.600 0.009 0.000 1.044 78 S CA 1.719 59.940 58.200 0.035 0.000 1.062 78 S CB -0.375 62.847 63.200 0.038 0.000 0.931 78 S HN 0.676 nan 8.310 nan 0.000 0.440 79 E N 0.549 120.763 120.200 0.022 0.000 2.394 79 E HA 0.261 4.612 4.350 0.002 0.000 0.191 79 E C 0.940 177.345 176.600 -0.325 0.000 1.044 79 E CA 0.267 56.586 56.400 -0.136 0.000 0.939 79 E CB -0.319 29.323 29.700 -0.096 0.000 1.089 79 E HN 0.542 nan 8.360 nan 0.000 0.456 80 G N 1.482 110.206 108.800 -0.128 0.000 2.390 80 G HA2 -0.273 3.687 3.960 0.002 0.000 0.299 80 G HA3 -0.273 3.687 3.960 0.002 0.000 0.299 80 G C 0.532 175.357 174.900 -0.124 0.000 1.002 80 G CA 0.716 45.758 45.100 -0.098 0.000 0.979 80 G HN 0.433 nan 8.290 nan 0.000 0.513 81 W N -0.447 120.905 121.300 0.087 0.000 2.355 81 W HA -0.005 4.655 4.660 0.001 0.000 0.309 81 W C 2.578 179.241 176.519 0.240 0.000 1.206 81 W CA 1.438 58.888 57.345 0.174 0.000 1.284 81 W CB -0.160 29.350 29.460 0.084 0.000 1.145 81 W HN 0.320 nan 8.180 nan 0.000 0.502 82 K N 0.856 121.473 120.400 0.361 0.000 1.991 82 K HA -0.217 4.104 4.320 0.002 0.000 0.212 82 K C 1.456 178.143 176.600 0.145 0.000 1.049 82 K CA 2.220 58.642 56.287 0.225 0.000 0.932 82 K CB -0.715 31.872 32.500 0.146 0.000 0.717 82 K HN -0.007 nan 8.250 nan 0.000 0.441 83 D N 0.331 120.788 120.400 0.094 0.000 2.170 83 D HA -0.212 4.429 4.640 0.002 0.000 0.193 83 D C 1.623 177.951 176.300 0.048 0.000 1.004 83 D CA 1.778 55.805 54.000 0.046 0.000 0.860 83 D CB -0.235 40.569 40.800 0.007 0.000 0.931 83 D HN 0.415 nan 8.370 nan 0.000 0.448 84 A N -1.090 121.783 122.820 0.088 0.000 2.119 84 A HA 0.383 4.704 4.320 0.002 0.000 0.216 84 A C 1.857 179.444 177.584 0.005 0.000 1.152 84 A CA 1.596 53.681 52.037 0.080 0.000 0.708 84 A CB 0.166 19.264 19.000 0.163 0.000 0.805 84 A HN 0.351 nan 8.150 nan 0.000 0.460 85 G N -3.093 105.717 108.800 0.017 0.000 2.273 85 G HA2 -0.116 3.844 3.960 0.002 0.000 0.162 85 G HA3 -0.116 3.844 3.960 0.002 0.000 0.162 85 G C -0.205 174.613 174.900 -0.136 0.000 1.006 85 G CA -0.258 44.777 45.100 -0.108 0.000 0.704 85 G HN 0.284 nan 8.290 nan 0.000 0.487 86 Y N 0.937 121.332 120.300 0.158 0.000 2.365 86 Y HA 0.564 5.115 4.550 0.001 0.000 0.340 86 Y C 1.230 177.232 175.900 0.171 0.000 1.016 86 Y CA 0.279 58.483 58.100 0.173 0.000 1.196 86 Y CB 1.681 40.284 38.460 0.238 0.000 1.167 86 Y HN 0.238 nan 8.280 nan 0.000 0.509 87 E N 1.190 121.570 120.200 0.300 0.000 2.535 87 E HA 0.127 4.478 4.350 0.002 0.000 0.216 87 E C -1.205 175.435 176.600 0.066 0.000 0.845 87 E CA 0.110 56.597 56.400 0.146 0.000 1.306 87 E CB 0.189 29.932 29.700 0.072 0.000 1.291 87 E HN 0.582 nan 8.360 nan 0.000 0.635 88 Y N 1.054 121.512 120.300 0.264 0.000 2.518 88 Y HA 0.348 4.899 4.550 0.002 0.000 0.344 88 Y C -0.455 175.690 175.900 0.407 0.000 0.982 88 Y CA -0.950 57.351 58.100 0.336 0.000 1.234 88 Y CB 0.981 39.704 38.460 0.439 0.000 1.114 88 Y HN 0.048 nan 8.280 nan 0.000 0.515 89 L N 4.715 126.167 121.223 0.381 0.000 2.325 89 L HA 0.355 4.696 4.340 0.002 0.000 0.284 89 L C -0.867 176.281 176.870 0.463 0.000 1.089 89 L CA 0.139 55.238 54.840 0.431 0.000 0.836 89 L CB -0.293 41.925 42.059 0.266 0.000 1.184 89 L HN 0.672 nan 8.230 nan 0.000 0.444 90 C N 6.062 125.733 119.300 0.618 0.000 2.345 90 C HA 0.506 4.967 4.460 0.002 0.000 0.323 90 C C 0.325 175.631 174.990 0.527 0.000 1.276 90 C CA -1.220 58.058 59.018 0.433 0.000 1.543 90 C CB 0.391 28.314 27.740 0.303 0.000 2.211 90 C HN 0.655 nan 8.230 nan 0.000 0.493 91 I N 3.310 124.024 120.570 0.239 0.000 2.441 91 I HA 0.193 4.364 4.170 0.002 0.000 0.287 91 I C 0.656 176.964 176.117 0.318 0.000 1.049 91 I CA 0.558 62.024 61.300 0.277 0.000 1.381 91 I CB 0.368 38.187 38.000 -0.300 0.000 1.409 91 I HN 0.680 nan 8.210 nan 0.000 0.523 92 D N 3.832 124.447 120.400 0.359 0.000 2.541 92 D HA 0.095 4.736 4.640 0.002 0.000 0.276 92 D C -0.403 176.028 176.300 0.219 0.000 1.190 92 D CA -0.428 53.607 54.000 0.058 0.000 1.095 92 D CB 1.048 41.647 40.800 -0.334 0.000 1.173 92 D HN 0.432 nan 8.370 nan 0.000 0.604 93 D N -0.941 119.228 120.400 -0.385 0.000 2.406 93 D HA -0.056 4.585 4.640 0.002 0.000 0.234 93 D C 0.363 176.843 176.300 0.299 0.000 1.196 93 D CA 0.326 54.120 54.000 -0.343 0.000 0.881 93 D CB 0.264 40.666 40.800 -0.662 0.000 1.205 93 D HN 0.547 nan 8.370 nan 0.000 0.453 94 c N 0.988 119.661 118.600 0.122 0.000 4.552 94 c HA -0.125 4.446 4.570 0.002 0.000 0.268 94 c C 1.704 175.755 174.090 -0.066 0.000 1.288 94 c CA 0.091 56.401 56.329 -0.033 0.000 1.776 94 c CB -2.654 40.046 42.510 0.316 0.000 1.415 94 c HN 0.801 nan 8.230 nan 0.000 0.729 95 W N 1.044 122.345 121.300 0.003 0.000 2.770 95 W HA 0.352 5.013 4.660 0.001 0.000 0.256 95 W C 0.797 177.245 176.519 -0.117 0.000 1.291 95 W CA 0.446 57.805 57.345 0.023 0.000 1.396 95 W CB -0.772 28.586 29.460 -0.171 0.000 1.114 95 W HN 0.508 nan 8.180 nan 0.000 0.637 96 M N 1.705 120.685 119.600 -1.034 0.000 2.283 96 M HA 0.673 5.154 4.480 0.002 0.000 0.314 96 M C 0.257 176.229 176.300 -0.548 0.000 1.153 96 M CA -0.563 54.131 55.300 -1.010 0.000 1.084 96 M CB 0.676 32.430 32.600 -1.411 0.000 1.468 96 M HN -0.164 nan 8.290 nan 0.000 0.474 97 A N 1.464 124.127 122.820 -0.261 0.000 2.371 97 A HA 0.466 4.787 4.320 0.002 0.000 0.257 97 A C -1.500 176.075 177.584 -0.014 0.000 1.089 97 A CA -1.516 50.466 52.037 -0.092 0.000 0.794 97 A CB -0.490 18.503 19.000 -0.010 0.000 1.029 97 A HN 0.775 nan 8.150 nan 0.000 0.488 98 P HA -0.232 nan 4.420 nan 0.000 0.222 98 P C 0.360 177.720 177.300 0.101 0.000 1.155 98 P CA 2.051 65.269 63.100 0.196 0.000 0.890 98 P CB 0.008 31.777 31.700 0.116 0.000 0.790 99 Q N -2.866 116.954 119.800 0.034 0.000 2.831 99 Q HA 0.351 4.692 4.340 0.002 0.000 0.322 99 Q C -0.407 175.576 176.000 -0.029 0.000 0.923 99 Q CA -1.002 54.795 55.803 -0.011 0.000 0.767 99 Q CB 1.199 29.926 28.738 -0.019 0.000 1.469 99 Q HN -0.110 nan 8.270 nan 0.000 0.496 100 R N 0.966 121.429 120.500 -0.060 0.000 2.679 100 R HA 0.176 4.516 4.340 0.002 0.000 0.269 100 R C -0.098 176.195 176.300 -0.011 0.000 1.076 100 R CA 0.208 56.271 56.100 -0.061 0.000 1.160 100 R CB 0.025 30.245 30.300 -0.132 0.000 1.054 100 R HN 0.776 nan 8.270 nan 0.000 0.507 101 D N -0.363 120.047 120.400 0.016 0.000 2.376 101 D HA -0.039 4.602 4.640 0.002 0.000 0.268 101 D C 1.051 177.370 176.300 0.032 0.000 1.252 101 D CA -0.155 53.865 54.000 0.034 0.000 1.041 101 D CB 0.144 40.980 40.800 0.059 0.000 1.109 101 D HN 0.361 nan 8.370 nan 0.000 0.552 102 S N -1.459 114.263 115.700 0.037 0.000 2.383 102 S HA -0.262 4.209 4.470 0.002 0.000 0.229 102 S C 1.712 176.335 174.600 0.037 0.000 1.030 102 S CA 1.345 59.565 58.200 0.034 0.000 1.002 102 S CB -0.651 62.569 63.200 0.033 0.000 0.829 102 S HN 0.615 nan 8.310 nan 0.000 0.467 103 E N 0.889 121.113 120.200 0.041 0.000 2.435 103 E HA 0.255 4.606 4.350 0.002 0.000 0.195 103 E C 1.161 177.794 176.600 0.055 0.000 1.029 103 E CA 0.416 56.839 56.400 0.038 0.000 0.865 103 E CB -0.167 29.553 29.700 0.033 0.000 0.833 103 E HN 0.734 nan 8.360 nan 0.000 0.510 104 G N 0.981 109.820 108.800 0.065 0.000 2.148 104 G HA2 -0.242 3.719 3.960 0.002 0.000 0.203 104 G HA3 -0.242 3.719 3.960 0.002 0.000 0.203 104 G C -0.004 174.928 174.900 0.052 0.000 0.993 104 G CA -0.084 45.086 45.100 0.117 0.000 0.661 104 G HN 0.112 nan 8.290 nan 0.000 0.518 105 R N -0.308 120.200 120.500 0.014 0.000 2.500 105 R HA 0.684 5.025 4.340 0.002 0.000 0.277 105 R C 1.096 177.390 176.300 -0.010 0.000 1.026 105 R CA -0.735 55.351 56.100 -0.024 0.000 1.058 105 R CB 0.916 31.211 30.300 -0.008 0.000 1.078 105 R HN 0.226 nan 8.270 nan 0.000 0.509 106 L N 1.522 122.741 121.223 -0.006 0.000 2.461 106 L HA 0.055 4.396 4.340 0.002 0.000 0.259 106 L C 0.565 177.611 176.870 0.295 0.000 1.248 106 L CA 0.333 55.235 54.840 0.104 0.000 0.823 106 L CB -0.006 42.183 42.059 0.217 0.000 1.111 106 L HN 0.625 nan 8.230 nan 0.000 0.516 107 Q N 0.231 120.213 119.800 0.303 0.000 2.527 107 Q HA 0.616 4.957 4.340 0.002 0.000 0.280 107 Q C -1.452 174.729 176.000 0.302 0.000 0.977 107 Q CA -1.014 55.013 55.803 0.375 0.000 0.837 107 Q CB 1.682 30.542 28.738 0.204 0.000 1.454 107 Q HN 0.609 nan 8.270 nan 0.000 0.387 108 A N 1.331 124.346 122.820 0.325 0.000 2.507 108 A HA 0.120 4.441 4.320 0.002 0.000 0.235 108 A C -0.086 177.597 177.584 0.164 0.000 1.070 108 A CA 0.587 52.785 52.037 0.268 0.000 0.768 108 A CB -0.104 18.938 19.000 0.071 0.000 1.011 108 A HN 0.818 nan 8.150 nan 0.000 0.502 109 D N 1.825 122.336 120.400 0.185 0.000 2.487 109 D HA 0.174 4.815 4.640 0.002 0.000 0.243 109 D C -1.558 174.830 176.300 0.147 0.000 1.154 109 D CA -0.759 53.318 54.000 0.128 0.000 0.876 109 D CB 0.761 41.637 40.800 0.128 0.000 1.161 109 D HN 0.165 nan 8.370 nan 0.000 0.478 110 P HA -0.153 nan 4.420 nan 0.000 0.215 110 P C 0.872 178.186 177.300 0.024 0.000 1.157 110 P CA 1.365 64.496 63.100 0.052 0.000 0.863 110 P CB 0.175 31.895 31.700 0.033 0.000 0.787 111 Q N -0.980 118.827 119.800 0.013 0.000 2.172 111 Q HA -0.007 4.334 4.340 0.002 0.000 0.200 111 Q C 2.191 178.152 176.000 -0.065 0.000 0.964 111 Q CA 1.253 57.041 55.803 -0.026 0.000 0.855 111 Q CB -0.385 28.342 28.738 -0.017 0.000 0.918 111 Q HN 0.201 nan 8.270 nan 0.000 0.444 112 R N -1.241 119.229 120.500 -0.049 0.000 2.189 112 R HA 0.150 4.491 4.340 0.002 0.000 0.203 112 R C -0.203 175.839 176.300 -0.429 0.000 1.012 112 R CA 0.358 56.341 56.100 -0.195 0.000 1.015 112 R CB 0.511 30.719 30.300 -0.153 0.000 0.938 112 R HN 0.110 nan 8.270 nan 0.000 0.472 113 F N 0.998 120.936 119.950 -0.021 0.000 2.523 113 F HA 0.301 4.829 4.527 0.001 0.000 0.322 113 F C -1.671 174.076 175.800 -0.087 0.000 1.361 113 F CA -2.379 55.599 58.000 -0.035 0.000 1.151 113 F CB 1.541 40.543 39.000 0.003 0.000 1.391 113 F HN -0.144 nan 8.300 nan 0.000 0.566 114 P HA -0.233 nan 4.420 nan 0.000 0.216 114 P C 1.264 178.478 177.300 -0.143 0.000 1.153 114 P CA 1.830 64.817 63.100 -0.188 0.000 0.858 114 P CB 0.176 31.623 31.700 -0.421 0.000 0.789 115 H N -0.722 118.363 119.070 0.024 0.000 2.547 115 H HA 0.215 4.772 4.556 0.002 0.000 0.272 115 H C 1.566 176.873 175.328 -0.035 0.000 0.989 115 H CA 1.014 57.060 56.048 -0.004 0.000 1.214 115 H CB -0.617 29.134 29.762 -0.018 0.000 1.389 115 H HN 0.216 nan 8.280 nan 0.000 0.577 116 G N 0.580 109.421 108.800 0.069 0.000 2.782 116 G HA2 -0.234 3.727 3.960 0.002 0.000 0.228 116 G HA3 -0.234 3.727 3.960 0.002 0.000 0.228 116 G C 0.692 175.428 174.900 -0.273 0.000 1.372 116 G CA -0.080 44.939 45.100 -0.136 0.000 0.862 116 G HN 0.147 nan 8.290 nan 0.000 0.547 117 I N 0.400 120.568 120.570 -0.671 0.000 2.429 117 I HA 0.045 4.216 4.170 0.002 0.000 0.247 117 I C 2.850 178.707 176.117 -0.433 0.000 1.099 117 I CA 1.716 62.616 61.300 -0.667 0.000 1.422 117 I CB -1.345 36.067 38.000 -0.981 0.000 1.112 117 I HN 0.791 nan 8.210 nan 0.000 0.430 118 R N 1.260 121.419 120.500 -0.569 0.000 2.140 118 R HA -0.261 4.080 4.340 0.002 0.000 0.250 118 R C 2.160 178.426 176.300 -0.057 0.000 1.150 118 R CA 2.116 58.119 56.100 -0.162 0.000 0.966 118 R CB -0.149 30.103 30.300 -0.080 0.000 0.869 118 R HN 0.441 nan 8.270 nan 0.000 0.445 119 Q N -0.171 119.579 119.800 -0.084 0.000 2.096 119 Q HA -0.103 4.238 4.340 0.002 0.000 0.197 119 Q C 2.155 178.162 176.000 0.011 0.000 0.964 119 Q CA 1.147 56.938 55.803 -0.018 0.000 0.838 119 Q CB -0.067 28.655 28.738 -0.026 0.000 0.906 119 Q HN 0.285 nan 8.270 nan 0.000 0.444 120 L N 0.827 122.040 121.223 -0.016 0.000 2.042 120 L HA -0.182 4.159 4.340 0.002 0.000 0.210 120 L C 2.073 178.943 176.870 0.000 0.000 1.076 120 L CA 2.204 57.057 54.840 0.022 0.000 0.749 120 L CB -0.929 41.132 42.059 0.003 0.000 0.893 120 L HN 0.149 nan 8.230 nan 0.000 0.432 121 A N -0.258 122.514 122.820 -0.080 0.000 1.849 121 A HA -0.319 4.002 4.320 0.002 0.000 0.217 121 A C 2.242 179.683 177.584 -0.239 0.000 1.202 121 A CA 2.083 54.012 52.037 -0.179 0.000 0.629 121 A CB -1.190 17.793 19.000 -0.030 0.000 0.834 121 A HN 0.663 nan 8.150 nan 0.000 0.447 122 N N -1.390 117.324 118.700 0.023 0.000 2.106 122 N HA -0.290 4.451 4.740 0.002 0.000 0.200 122 N C 1.681 177.243 175.510 0.086 0.000 1.014 122 N CA 2.460 55.584 53.050 0.123 0.000 0.891 122 N CB -0.591 37.959 38.487 0.105 0.000 1.069 122 N HN 0.638 nan 8.380 nan 0.000 0.490 123 Y N 1.796 122.076 120.300 -0.032 0.000 2.128 123 Y HA -0.192 4.359 4.550 0.002 0.000 0.284 123 Y C 2.447 178.326 175.900 -0.036 0.000 1.154 123 Y CA 1.490 59.574 58.100 -0.026 0.000 1.149 123 Y CB -0.561 37.882 38.460 -0.027 0.000 0.976 123 Y HN -0.128 nan 8.280 nan 0.000 0.505 124 V N 0.507 120.354 119.914 -0.111 0.000 2.255 124 V HA -0.372 3.749 4.120 0.002 0.000 0.247 124 V C 2.457 178.429 176.094 -0.203 0.000 1.051 124 V CA 2.382 64.561 62.300 -0.202 0.000 1.018 124 V CB -0.927 30.801 31.823 -0.159 0.000 0.641 124 V HN 0.516 nan 8.190 nan 0.000 0.445 125 H N 0.807 119.832 119.070 -0.074 0.000 2.289 125 H HA -0.153 4.403 4.556 0.002 0.000 0.296 125 H C 2.716 177.987 175.328 -0.095 0.000 1.091 125 H CA 2.093 58.103 56.048 -0.064 0.000 1.274 125 H CB -0.896 28.851 29.762 -0.025 0.000 1.364 125 H HN 0.628 nan 8.280 nan 0.000 0.490 126 S N 1.252 116.953 115.700 0.002 0.000 2.392 126 S HA -0.187 4.284 4.470 0.002 0.000 0.232 126 S C 1.711 176.236 174.600 -0.126 0.000 1.041 126 S CA 1.385 59.541 58.200 -0.073 0.000 1.026 126 S CB -0.181 62.953 63.200 -0.111 0.000 0.845 126 S HN 0.404 nan 8.310 nan 0.000 0.465 127 K N 0.907 121.179 120.400 -0.213 0.000 2.486 127 K HA 0.177 4.498 4.320 0.002 0.000 0.194 127 K C 1.409 177.962 176.600 -0.077 0.000 1.033 127 K CA 0.612 56.795 56.287 -0.173 0.000 1.004 127 K CB -0.438 31.914 32.500 -0.247 0.000 0.798 127 K HN 0.702 nan 8.250 nan 0.000 0.495 128 G N 1.350 110.123 108.800 -0.045 0.000 2.134 128 G HA2 -0.216 3.745 3.960 0.002 0.000 0.209 128 G HA3 -0.216 3.745 3.960 0.002 0.000 0.209 128 G C -0.060 174.838 174.900 -0.002 0.000 0.993 128 G CA -0.230 44.864 45.100 -0.010 0.000 0.669 128 G HN 0.146 nan 8.290 nan 0.000 0.519 129 L N -0.836 120.381 121.223 -0.009 0.000 2.347 129 L HA 0.786 5.127 4.340 0.002 0.000 0.268 129 L C 0.582 177.435 176.870 -0.028 0.000 1.019 129 L CA -1.140 53.684 54.840 -0.026 0.000 0.806 129 L CB 1.381 43.425 42.059 -0.025 0.000 1.339 129 L HN -0.022 nan 8.230 nan 0.000 0.463 130 K N 0.930 121.245 120.400 -0.142 0.000 2.316 130 K HA 0.548 4.869 4.320 0.002 0.000 0.251 130 K C -1.568 175.001 176.600 -0.052 0.000 0.934 130 K CA -0.826 55.356 56.287 -0.175 0.000 0.802 130 K CB 2.569 34.706 32.500 -0.605 0.000 1.171 130 K HN 0.208 nan 8.250 nan 0.000 0.426 131 L N 1.537 122.776 121.223 0.026 0.000 2.272 131 L HA 0.470 4.811 4.340 0.002 0.000 0.289 131 L C -0.158 176.805 176.870 0.154 0.000 1.032 131 L CA 0.109 54.978 54.840 0.050 0.000 0.810 131 L CB 1.344 43.345 42.059 -0.096 0.000 1.205 131 L HN 0.721 nan 8.230 nan 0.000 0.422 132 G N 4.724 113.638 108.800 0.190 0.000 2.425 132 G HA2 0.565 4.526 3.960 0.002 0.000 0.302 132 G HA3 0.565 4.526 3.960 0.002 0.000 0.302 132 G C -1.104 173.762 174.900 -0.056 0.000 1.159 132 G CA -0.351 44.831 45.100 0.136 0.000 0.865 132 G HN 0.673 nan 8.290 nan 0.000 0.515 133 I N -0.421 120.062 120.570 -0.145 0.000 3.239 133 I HA 0.710 4.881 4.170 0.002 0.000 0.314 133 I C -1.572 174.516 176.117 -0.049 0.000 1.126 133 I CA -1.458 59.668 61.300 -0.291 0.000 0.973 133 I CB 2.542 40.159 38.000 -0.639 0.000 1.252 133 I HN 0.537 nan 8.210 nan 0.000 0.463 134 Y N 3.779 124.078 120.300 -0.001 0.000 2.391 134 Y HA 0.835 5.385 4.550 0.001 0.000 0.341 134 Y C -0.991 175.157 175.900 0.414 0.000 0.965 134 Y CA -0.396 57.829 58.100 0.208 0.000 1.067 134 Y CB 1.463 40.059 38.460 0.226 0.000 1.199 134 Y HN 0.731 nan 8.280 nan 0.000 0.450 135 A N 4.354 127.116 122.820 -0.095 0.000 2.564 135 A HA 0.582 4.903 4.320 0.002 0.000 0.288 135 A C -2.004 175.235 177.584 -0.576 0.000 1.164 135 A CA -0.749 51.308 52.037 0.034 0.000 0.712 135 A CB 1.907 21.279 19.000 0.621 0.000 1.303 135 A HN 0.707 nan 8.150 nan 0.000 0.418 136 D N -0.021 120.072 120.400 -0.512 0.000 2.787 136 D HA 0.282 4.923 4.640 0.002 0.000 0.246 136 D C 0.682 176.472 176.300 -0.850 0.000 1.150 136 D CA -0.335 53.185 54.000 -0.799 0.000 0.864 136 D CB 2.380 42.995 40.800 -0.308 0.000 1.481 136 D HN 0.238 nan 8.370 nan 0.000 0.509 137 V N 3.583 122.761 119.914 -1.228 0.000 2.453 137 V HA -0.048 4.073 4.120 0.002 0.000 0.252 137 V C 1.268 177.310 176.094 -0.086 0.000 1.068 137 V CA 2.404 64.297 62.300 -0.678 0.000 1.070 137 V CB -0.295 31.021 31.823 -0.845 0.000 0.664 137 V HN 0.594 nan 8.190 nan 0.000 0.461 138 G N -1.328 107.387 108.800 -0.143 0.000 2.574 138 G HA2 0.087 4.048 3.960 0.002 0.000 0.248 138 G HA3 0.087 4.048 3.960 0.002 0.000 0.248 138 G C 0.586 175.511 174.900 0.042 0.000 1.422 138 G CA 0.168 45.267 45.100 -0.001 0.000 1.051 138 G HN 0.296 nan 8.290 nan 0.000 0.560 139 N N -0.347 118.342 118.700 -0.018 0.000 2.459 139 N HA 0.042 4.783 4.740 0.002 0.000 0.181 139 N C 0.324 175.794 175.510 -0.068 0.000 1.046 139 N CA 0.884 53.901 53.050 -0.055 0.000 0.904 139 N CB 0.076 38.471 38.487 -0.153 0.000 0.964 139 N HN 0.345 nan 8.380 nan 0.000 0.444 140 K N -1.488 118.891 120.400 -0.034 0.000 2.555 140 K HA 0.220 4.541 4.320 0.002 0.000 0.279 140 K C -0.345 176.320 176.600 0.110 0.000 0.986 140 K CA -0.690 55.572 56.287 -0.043 0.000 0.880 140 K CB 1.724 34.042 32.500 -0.303 0.000 1.474 140 K HN -0.082 nan 8.250 nan 0.000 0.433 141 T N -2.523 112.124 114.554 0.155 0.000 2.726 141 T HA 0.057 4.408 4.350 0.002 0.000 0.294 141 T C 1.220 176.114 174.700 0.323 0.000 1.013 141 T CA -0.352 61.916 62.100 0.280 0.000 0.996 141 T CB 0.403 69.527 68.868 0.427 0.000 1.016 141 T HN 0.665 nan 8.240 nan 0.000 0.529 142 c N 0.664 119.445 118.600 0.301 0.000 2.448 142 c HA 0.248 4.819 4.570 0.002 0.000 0.280 142 c C 3.196 177.431 174.090 0.242 0.000 1.398 142 c CA 0.391 56.870 56.329 0.250 0.000 1.774 142 c CB -2.032 40.553 42.510 0.124 0.000 1.888 142 c HN 0.978 nan 8.230 nan 0.000 0.519 143 A N -0.129 122.823 122.820 0.221 0.000 2.119 143 A HA 0.376 4.697 4.320 0.002 0.000 0.217 143 A C 2.019 179.560 177.584 -0.071 0.000 1.153 143 A CA 1.698 53.846 52.037 0.185 0.000 0.692 143 A CB -0.615 18.634 19.000 0.415 0.000 0.799 143 A HN 1.148 nan 8.150 nan 0.000 0.458 144 G N -2.733 106.024 108.800 -0.072 0.000 2.218 144 G HA2 -0.183 3.778 3.960 0.002 0.000 0.216 144 G HA3 -0.183 3.778 3.960 0.002 0.000 0.216 144 G C 0.070 174.740 174.900 -0.383 0.000 0.994 144 G CA -0.020 44.899 45.100 -0.301 0.000 0.637 144 G HN 0.296 nan 8.290 nan 0.000 0.505 145 F N 2.749 122.675 119.950 -0.039 0.000 2.403 145 F HA 0.483 5.011 4.527 0.002 0.000 0.320 145 F C -1.264 174.479 175.800 -0.094 0.000 1.176 145 F CA -1.926 56.027 58.000 -0.078 0.000 1.206 145 F CB 0.089 39.031 39.000 -0.097 0.000 1.235 145 F HN -0.153 nan 8.300 nan 0.000 0.565 146 P HA 0.031 nan 4.420 nan 0.000 0.260 146 P C -0.034 177.257 177.300 -0.015 0.000 1.172 146 P CA 0.188 63.273 63.100 -0.026 0.000 0.760 146 P CB 0.094 31.743 31.700 -0.084 0.000 0.773 147 G N 1.770 110.550 108.800 -0.034 0.000 2.543 147 G HA2 0.293 4.254 3.960 0.002 0.000 0.290 147 G HA3 0.293 4.254 3.960 0.002 0.000 0.290 147 G C 0.494 175.394 174.900 0.000 0.000 1.310 147 G CA -0.429 44.671 45.100 -0.001 0.000 1.025 147 G HN 0.404 nan 8.290 nan 0.000 0.502 148 S N -1.153 114.588 115.700 0.068 0.000 2.629 148 S HA 0.194 4.665 4.470 0.002 0.000 0.236 148 S C 0.170 174.688 174.600 -0.137 0.000 1.010 148 S CA -0.673 57.578 58.200 0.086 0.000 0.981 148 S CB -0.172 63.241 63.200 0.354 0.000 0.919 148 S HN 0.422 nan 8.310 nan 0.000 0.514 149 F N 2.752 122.592 119.950 -0.184 0.000 2.571 149 F HA 0.370 4.898 4.527 0.002 0.000 0.390 149 F C 1.334 176.986 175.800 -0.246 0.000 1.043 149 F CA 1.370 59.196 58.000 -0.290 0.000 1.164 149 F CB -0.043 38.902 39.000 -0.091 0.000 1.049 149 F HN 0.306 nan 8.300 nan 0.000 0.552 150 G N 4.397 112.647 108.800 -0.917 0.000 2.175 150 G HA2 -0.367 3.594 3.960 0.002 0.000 0.244 150 G HA3 -0.367 3.594 3.960 0.002 0.000 0.244 150 G C 0.153 174.615 174.900 -0.730 0.000 0.982 150 G CA 0.437 45.109 45.100 -0.715 0.000 0.641 150 G HN 0.734 nan 8.290 nan 0.000 0.527 151 Y N -1.143 118.794 120.300 -0.605 0.000 2.563 151 Y HA 0.344 4.895 4.550 0.002 0.000 0.250 151 Y C 2.231 177.929 175.900 -0.338 0.000 1.126 151 Y CA -0.312 57.562 58.100 -0.377 0.000 1.231 151 Y CB 0.173 38.485 38.460 -0.245 0.000 1.288 151 Y HN 0.205 nan 8.280 nan 0.000 0.537 152 Y N 0.635 120.828 120.300 -0.178 0.000 2.040 152 Y HA -0.336 4.215 4.550 0.002 0.000 0.275 152 Y C 2.047 177.758 175.900 -0.314 0.000 1.171 152 Y CA 1.338 59.253 58.100 -0.308 0.000 1.123 152 Y CB -1.068 37.028 38.460 -0.608 0.000 0.963 152 Y HN 0.094 nan 8.280 nan 0.000 0.493 153 D N 0.098 120.393 120.400 -0.174 0.000 2.137 153 D HA -0.210 4.431 4.640 0.002 0.000 0.189 153 D C 2.392 178.617 176.300 -0.126 0.000 0.998 153 D CA 1.791 55.716 54.000 -0.126 0.000 0.839 153 D CB -0.672 40.081 40.800 -0.078 0.000 0.962 153 D HN 0.284 nan 8.370 nan 0.000 0.446 154 I N 0.817 121.312 120.570 -0.124 0.000 2.163 154 I HA -0.277 3.894 4.170 0.002 0.000 0.243 154 I C 1.890 177.879 176.117 -0.213 0.000 1.085 154 I CA 1.271 62.495 61.300 -0.126 0.000 1.347 154 I CB -0.215 37.748 38.000 -0.061 0.000 1.044 154 I HN -0.060 nan 8.210 nan 0.000 0.408 155 D N 0.777 121.040 120.400 -0.228 0.000 2.178 155 D HA -0.121 4.520 4.640 0.002 0.000 0.201 155 D C 2.193 178.093 176.300 -0.667 0.000 0.980 155 D CA 1.379 55.092 54.000 -0.479 0.000 0.842 155 D CB -0.117 40.495 40.800 -0.313 0.000 0.948 155 D HN 0.354 nan 8.370 nan 0.000 0.472 156 A N 0.481 123.118 122.820 -0.305 0.000 1.858 156 A HA -0.247 4.074 4.320 0.002 0.000 0.216 156 A C 2.158 179.625 177.584 -0.194 0.000 1.190 156 A CA 1.774 53.719 52.037 -0.153 0.000 0.617 156 A CB -0.737 18.197 19.000 -0.111 0.000 0.827 156 A HN 0.109 nan 8.150 nan 0.000 0.443 157 Q N -0.189 119.485 119.800 -0.211 0.000 2.045 157 Q HA -0.164 4.177 4.340 0.002 0.000 0.206 157 Q C 2.133 177.962 176.000 -0.285 0.000 0.991 157 Q CA 2.813 58.505 55.803 -0.186 0.000 0.851 157 Q CB -1.134 27.512 28.738 -0.153 0.000 0.911 157 Q HN 0.678 nan 8.270 nan 0.000 0.418 158 T N 0.275 114.545 114.554 -0.473 0.000 2.653 158 T HA -0.190 4.161 4.350 0.002 0.000 0.268 158 T C 1.456 175.636 174.700 -0.867 0.000 1.035 158 T CA 1.663 63.294 62.100 -0.781 0.000 1.154 158 T CB -0.534 67.726 68.868 -1.013 0.000 0.862 158 T HN 0.172 nan 8.240 nan 0.000 0.441 159 F N 1.962 121.607 119.950 -0.509 0.000 2.051 159 F HA 0.099 4.627 4.527 0.002 0.000 0.296 159 F C 2.871 178.581 175.800 -0.150 0.000 1.122 159 F CA 0.189 58.004 58.000 -0.308 0.000 1.201 159 F CB -1.629 37.288 39.000 -0.138 0.000 0.978 159 F HN 0.168 nan 8.300 nan 0.000 0.472 160 A N 0.053 122.920 122.820 0.078 0.000 1.927 160 A HA -0.255 4.066 4.320 0.002 0.000 0.220 160 A C 2.100 179.712 177.584 0.047 0.000 1.185 160 A CA 2.255 54.327 52.037 0.058 0.000 0.639 160 A CB -1.039 17.970 19.000 0.015 0.000 0.820 160 A HN 0.347 nan 8.150 nan 0.000 0.451 161 D N -1.314 119.058 120.400 -0.047 0.000 2.123 161 D HA -0.168 4.473 4.640 0.002 0.000 0.196 161 D C 1.648 178.058 176.300 0.184 0.000 0.992 161 D CA 1.153 55.150 54.000 -0.005 0.000 0.833 161 D CB -0.272 40.453 40.800 -0.125 0.000 0.954 161 D HN 0.719 nan 8.370 nan 0.000 0.455 162 W N 0.146 121.503 121.300 0.095 0.000 2.584 162 W HA 0.211 4.872 4.660 0.001 0.000 0.264 162 W C 1.448 178.028 176.519 0.101 0.000 1.264 162 W CA 1.158 58.553 57.345 0.083 0.000 1.306 162 W CB -0.548 28.953 29.460 0.068 0.000 1.110 162 W HN 0.130 nan 8.180 nan 0.000 0.606 163 G N -0.001 108.996 108.800 0.329 0.000 2.141 163 G HA2 -0.209 3.752 3.960 0.002 0.000 0.195 163 G HA3 -0.209 3.752 3.960 0.002 0.000 0.195 163 G C -0.138 174.957 174.900 0.325 0.000 1.012 163 G CA -0.198 45.086 45.100 0.306 0.000 0.696 163 G HN -0.027 nan 8.290 nan 0.000 0.508 164 V N 0.689 120.752 119.914 0.248 0.000 2.673 164 V HA 0.192 4.313 4.120 0.002 0.000 0.303 164 V C 1.057 177.266 176.094 0.192 0.000 1.046 164 V CA 0.990 63.391 62.300 0.169 0.000 1.126 164 V CB 1.191 33.066 31.823 0.086 0.000 0.934 164 V HN 0.395 nan 8.190 nan 0.000 0.487 165 D N 3.003 123.539 120.400 0.226 0.000 2.441 165 D HA 0.282 4.923 4.640 0.002 0.000 0.210 165 D C -0.008 176.519 176.300 0.378 0.000 1.102 165 D CA 0.337 54.524 54.000 0.311 0.000 0.840 165 D CB 1.554 42.565 40.800 0.350 0.000 0.990 165 D HN 0.378 nan 8.370 nan 0.000 0.505 166 L N 0.891 122.277 121.223 0.271 0.000 2.545 166 L HA 0.403 4.744 4.340 0.002 0.000 0.258 166 L C -2.319 174.601 176.870 0.082 0.000 0.942 166 L CA -0.869 54.090 54.840 0.199 0.000 0.855 166 L CB 2.573 44.778 42.059 0.244 0.000 1.374 166 L HN -0.211 nan 8.230 nan 0.000 0.411 167 L N 3.908 125.176 121.223 0.076 0.000 2.385 167 L HA 0.556 4.897 4.340 0.002 0.000 0.273 167 L C -1.159 175.763 176.870 0.086 0.000 0.990 167 L CA -0.173 54.684 54.840 0.028 0.000 0.821 167 L CB 1.675 43.752 42.059 0.030 0.000 1.279 167 L HN 0.630 nan 8.230 nan 0.000 0.412 168 K N 4.676 125.120 120.400 0.073 0.000 2.281 168 K HA 0.350 4.671 4.320 0.002 0.000 0.272 168 K C -1.594 175.061 176.600 0.091 0.000 1.048 168 K CA -0.486 55.850 56.287 0.081 0.000 0.898 168 K CB 0.551 33.106 32.500 0.092 0.000 1.128 168 K HN 0.529 nan 8.250 nan 0.000 0.460 169 F N 3.580 123.489 119.950 -0.068 0.000 2.405 169 F HA 0.259 4.787 4.527 0.002 0.000 0.355 169 F C 0.287 176.071 175.800 -0.026 0.000 1.121 169 F CA -0.741 57.216 58.000 -0.071 0.000 1.112 169 F CB 0.921 39.996 39.000 0.125 0.000 1.126 169 F HN 0.592 nan 8.300 nan 0.000 0.481 170 D N 2.160 122.266 120.400 -0.489 0.000 2.385 170 D HA 0.447 5.088 4.640 0.002 0.000 0.254 170 D C 0.428 176.434 176.300 -0.489 0.000 1.053 170 D CA -0.362 53.480 54.000 -0.264 0.000 0.992 170 D CB 2.006 42.709 40.800 -0.161 0.000 1.145 170 D HN 0.670 nan 8.370 nan 0.000 0.523 171 G N 0.013 108.373 108.800 -0.732 0.000 3.899 171 G HA2 0.193 4.154 3.960 0.002 0.000 0.293 171 G HA3 0.193 4.154 3.960 0.002 0.000 0.293 171 G C 0.257 174.515 174.900 -1.070 0.000 1.054 171 G CA -0.131 44.187 45.100 -1.303 0.000 0.846 171 G HN 0.454 nan 8.290 nan 0.000 0.525 172 c N 0.167 118.491 118.600 -0.461 0.000 2.657 172 c HA 0.387 4.958 4.570 0.002 0.000 0.404 172 c C 0.194 174.220 174.090 -0.106 0.000 1.291 172 c CA -0.077 56.133 56.329 -0.199 0.000 2.218 172 c CB -0.862 41.616 42.510 -0.054 0.000 2.687 172 c HN 0.647 nan 8.230 nan 0.000 0.634 173 Y N 0.014 120.274 120.300 -0.066 0.000 2.944 173 Y HA -0.133 4.418 4.550 0.002 0.000 0.136 173 Y C 0.482 176.303 175.900 -0.133 0.000 1.830 173 Y CA 0.885 58.934 58.100 -0.086 0.000 0.957 173 Y CB -1.709 36.701 38.460 -0.082 0.000 1.558 173 Y HN 0.997 nan 8.280 nan 0.000 0.345 174 C N -0.309 118.966 119.300 -0.041 0.000 2.985 174 C HA 0.547 5.008 4.460 0.002 0.000 0.332 174 C C 1.380 176.311 174.990 -0.097 0.000 1.164 174 C CA -1.002 57.964 59.018 -0.087 0.000 1.347 174 C CB 1.856 29.549 27.740 -0.078 0.000 1.764 174 C HN 0.622 nan 8.230 nan 0.000 0.489 175 D N 2.043 122.368 120.400 -0.125 0.000 2.549 175 D HA -0.156 4.485 4.640 0.002 0.000 0.199 175 D C 1.163 177.406 176.300 -0.095 0.000 1.034 175 D CA 2.953 56.890 54.000 -0.105 0.000 0.880 175 D CB -0.116 40.623 40.800 -0.102 0.000 1.044 175 D HN 1.102 nan 8.370 nan 0.000 0.469 176 S N -2.272 113.384 115.700 -0.073 0.000 2.671 176 S HA 0.417 4.888 4.470 0.002 0.000 0.277 176 S C 0.911 175.481 174.600 -0.050 0.000 1.165 176 S CA -0.761 57.391 58.200 -0.081 0.000 0.822 176 S CB 1.255 64.428 63.200 -0.045 0.000 1.150 176 S HN -0.011 nan 8.310 nan 0.000 0.479 177 L N 0.485 121.684 121.223 -0.040 0.000 2.056 177 L HA 0.121 4.462 4.340 0.002 0.000 0.207 177 L C 2.507 179.408 176.870 0.052 0.000 1.078 177 L CA 1.473 56.335 54.840 0.037 0.000 0.749 177 L CB -1.674 40.431 42.059 0.078 0.000 0.901 177 L HN 0.726 nan 8.230 nan 0.000 0.433 178 E N 1.101 121.321 120.200 0.035 0.000 2.082 178 E HA -0.330 4.021 4.350 0.002 0.000 0.215 178 E C 2.042 178.656 176.600 0.024 0.000 1.048 178 E CA 2.332 58.752 56.400 0.032 0.000 0.869 178 E CB -0.577 29.139 29.700 0.026 0.000 0.773 178 E HN 0.712 nan 8.360 nan 0.000 0.466 179 N N 0.297 119.017 118.700 0.033 0.000 2.058 179 N HA -0.165 4.576 4.740 0.002 0.000 0.191 179 N C 2.146 177.661 175.510 0.008 0.000 1.037 179 N CA 0.877 53.969 53.050 0.069 0.000 0.848 179 N CB -0.208 38.358 38.487 0.133 0.000 1.021 179 N HN 0.022 nan 8.380 nan 0.000 0.422 180 L N 1.477 122.683 121.223 -0.029 0.000 2.013 180 L HA -0.200 4.141 4.340 0.002 0.000 0.212 180 L C 2.204 178.919 176.870 -0.259 0.000 1.073 180 L CA 1.890 56.663 54.840 -0.113 0.000 0.753 180 L CB -0.668 41.376 42.059 -0.024 0.000 0.890 180 L HN 0.086 nan 8.230 nan 0.000 0.432 181 A N -0.626 122.085 122.820 -0.182 0.000 1.908 181 A HA -0.243 4.078 4.320 0.002 0.000 0.218 181 A C 2.014 179.331 177.584 -0.444 0.000 1.181 181 A CA 2.055 53.915 52.037 -0.295 0.000 0.627 181 A CB -0.954 18.121 19.000 0.125 0.000 0.818 181 A HN 0.622 nan 8.150 nan 0.000 0.445 182 D N -0.478 119.783 120.400 -0.233 0.000 2.117 182 D HA -0.052 4.589 4.640 0.002 0.000 0.198 182 D C 2.139 178.276 176.300 -0.272 0.000 0.982 182 D CA 1.417 55.295 54.000 -0.203 0.000 0.828 182 D CB -0.845 39.909 40.800 -0.076 0.000 0.967 182 D HN 0.418 nan 8.370 nan 0.000 0.464 183 G N 0.027 108.656 108.800 -0.284 0.000 2.446 183 G HA2 -0.308 3.653 3.960 0.002 0.000 0.217 183 G HA3 -0.308 3.653 3.960 0.002 0.000 0.217 183 G C 1.474 175.977 174.900 -0.661 0.000 1.168 183 G CA 0.658 45.436 45.100 -0.538 0.000 0.771 183 G HN 0.225 nan 8.290 nan 0.000 0.551 184 Y N 1.259 121.238 120.300 -0.534 0.000 2.128 184 Y HA -0.101 4.450 4.550 0.002 0.000 0.284 184 Y C 2.937 178.564 175.900 -0.455 0.000 1.154 184 Y CA 1.680 59.495 58.100 -0.475 0.000 1.149 184 Y CB -0.173 37.706 38.460 -0.969 0.000 0.976 184 Y HN 0.152 nan 8.280 nan 0.000 0.505 185 K N -1.037 119.039 120.400 -0.539 0.000 2.002 185 K HA -0.253 4.068 4.320 0.002 0.000 0.209 185 K C 2.053 178.463 176.600 -0.316 0.000 1.048 185 K CA 1.828 57.704 56.287 -0.684 0.000 0.930 185 K CB -0.654 31.370 32.500 -0.794 0.000 0.714 185 K HN 0.505 nan 8.250 nan 0.000 0.438 186 H N 0.151 118.971 119.070 -0.417 0.000 2.319 186 H HA -0.181 4.376 4.556 0.002 0.000 0.299 186 H C 2.324 177.416 175.328 -0.393 0.000 1.092 186 H CA 1.630 57.475 56.048 -0.339 0.000 1.302 186 H CB 0.121 29.695 29.762 -0.314 0.000 1.373 186 H HN 0.045 nan 8.280 nan 0.000 0.497 187 M N 0.182 119.444 119.600 -0.564 0.000 2.080 187 M HA -0.184 4.297 4.480 0.002 0.000 0.260 187 M C 2.621 178.570 176.300 -0.585 0.000 1.068 187 M CA 1.819 56.718 55.300 -0.668 0.000 1.109 187 M CB -0.822 31.185 32.600 -0.989 0.000 1.342 187 M HN 0.168 nan 8.290 nan 0.000 0.405 188 S N -0.037 115.308 115.700 -0.592 0.000 2.359 188 S HA -0.172 4.299 4.470 0.002 0.000 0.223 188 S C 1.939 176.402 174.600 -0.229 0.000 1.039 188 S CA 1.793 59.655 58.200 -0.564 0.000 1.042 188 S CB -0.534 62.648 63.200 -0.031 0.000 0.915 188 S HN 0.585 nan 8.310 nan 0.000 0.439 189 L N 0.988 122.174 121.223 -0.062 0.000 1.990 189 L HA -0.179 4.162 4.340 0.002 0.000 0.213 189 L C 2.970 179.814 176.870 -0.043 0.000 1.072 189 L CA 1.539 56.381 54.840 0.003 0.000 0.755 189 L CB -1.057 41.038 42.059 0.061 0.000 0.889 189 L HN 0.443 nan 8.230 nan 0.000 0.432 190 A N 0.397 123.182 122.820 -0.060 0.000 1.884 190 A HA -0.241 4.080 4.320 0.002 0.000 0.219 190 A C 2.245 179.769 177.584 -0.099 0.000 1.197 190 A CA 1.966 53.958 52.037 -0.075 0.000 0.637 190 A CB -0.961 17.959 19.000 -0.134 0.000 0.827 190 A HN 0.387 nan 8.150 nan 0.000 0.450 191 L N -0.268 120.860 121.223 -0.158 0.000 2.013 191 L HA -0.270 4.071 4.340 0.002 0.000 0.212 191 L C 2.615 179.444 176.870 -0.069 0.000 1.073 191 L CA 1.834 56.601 54.840 -0.121 0.000 0.753 191 L CB -0.761 41.180 42.059 -0.197 0.000 0.890 191 L HN 0.584 nan 8.230 nan 0.000 0.432 192 N N 0.227 118.885 118.700 -0.071 0.000 2.104 192 N HA -0.242 4.499 4.740 0.002 0.000 0.190 192 N C 2.121 177.616 175.510 -0.024 0.000 1.024 192 N CA 1.362 54.392 53.050 -0.034 0.000 0.853 192 N CB 0.054 38.524 38.487 -0.028 0.000 1.008 192 N HN 0.271 nan 8.380 nan 0.000 0.424 193 R N 0.227 120.710 120.500 -0.029 0.000 2.083 193 R HA -0.122 4.219 4.340 0.002 0.000 0.237 193 R C 2.338 178.625 176.300 -0.021 0.000 1.137 193 R CA 2.021 58.109 56.100 -0.021 0.000 0.951 193 R CB -0.603 29.685 30.300 -0.019 0.000 0.851 193 R HN 0.402 nan 8.270 nan 0.000 0.434 194 T N -2.464 112.074 114.554 -0.028 0.000 2.848 194 T HA -0.130 4.221 4.350 0.002 0.000 0.269 194 T C 1.426 176.121 174.700 -0.008 0.000 1.081 194 T CA 1.498 63.585 62.100 -0.022 0.000 1.125 194 T CB -0.535 68.321 68.868 -0.020 0.000 0.848 194 T HN 0.546 nan 8.240 nan 0.000 0.503 195 G N 1.215 110.012 108.800 -0.005 0.000 2.155 195 G HA2 -0.332 3.629 3.960 0.002 0.000 0.257 195 G HA3 -0.332 3.629 3.960 0.002 0.000 0.257 195 G C 0.060 174.968 174.900 0.013 0.000 0.983 195 G CA 0.425 45.526 45.100 0.003 0.000 0.676 195 G HN 0.977 nan 8.290 nan 0.000 0.528 196 R N 0.182 120.694 120.500 0.020 0.000 2.604 196 R HA 0.616 4.957 4.340 0.002 0.000 0.287 196 R C 0.109 176.439 176.300 0.049 0.000 0.970 196 R CA -0.239 55.883 56.100 0.036 0.000 0.946 196 R CB 0.823 31.151 30.300 0.047 0.000 1.127 196 R HN 0.085 nan 8.270 nan 0.000 0.473 197 S N 4.002 119.741 115.700 0.064 0.000 2.488 197 S HA 0.291 4.762 4.470 0.002 0.000 0.278 197 S C -0.244 174.428 174.600 0.121 0.000 1.259 197 S CA -0.047 58.206 58.200 0.088 0.000 1.061 197 S CB -0.005 63.253 63.200 0.096 0.000 0.910 197 S HN 0.404 nan 8.310 nan 0.000 0.491 198 I N 3.268 123.910 120.570 0.122 0.000 2.529 198 I HA 0.189 4.360 4.170 0.002 0.000 0.284 198 I C -0.510 175.699 176.117 0.153 0.000 1.088 198 I CA -0.840 60.548 61.300 0.146 0.000 1.062 198 I CB 1.812 39.877 38.000 0.109 0.000 1.218 198 I HN 0.236 nan 8.210 nan 0.000 0.442 199 V N 5.808 125.820 119.914 0.163 0.000 2.599 199 V HA -0.105 4.016 4.120 0.002 0.000 0.300 199 V C -0.550 175.626 176.094 0.137 0.000 1.034 199 V CA 0.375 62.737 62.300 0.105 0.000 1.115 199 V CB 0.191 32.008 31.823 -0.011 0.000 0.934 199 V HN 0.497 nan 8.190 nan 0.000 0.485 200 Y N 4.742 125.019 120.300 -0.038 0.000 2.587 200 Y HA 0.468 5.019 4.550 0.002 0.000 0.328 200 Y C 0.327 176.212 175.900 -0.025 0.000 0.980 200 Y CA -0.676 57.421 58.100 -0.005 0.000 1.272 200 Y CB 1.347 39.833 38.460 0.043 0.000 1.094 200 Y HN 0.595 nan 8.280 nan 0.000 0.503 201 S N 6.300 121.849 115.700 -0.251 0.000 2.423 201 S HA 0.553 5.024 4.470 0.002 0.000 0.317 201 S C -0.761 173.779 174.600 -0.101 0.000 1.065 201 S CA -0.430 57.665 58.200 -0.174 0.000 1.111 201 S CB -0.729 62.495 63.200 0.039 0.000 0.968 201 S HN 0.676 nan 8.310 nan 0.000 0.474 202 c N 4.027 122.595 118.600 -0.053 0.000 2.366 202 c HA 0.492 5.063 4.570 0.002 0.000 0.345 202 c C 1.337 175.513 174.090 0.145 0.000 1.209 202 c CA -0.669 55.641 56.329 -0.032 0.000 2.050 202 c CB 0.851 43.233 42.510 -0.213 0.000 2.359 202 c HN 0.981 nan 8.230 nan 0.000 0.527 203 E N 0.294 120.612 120.200 0.197 0.000 2.465 203 E HA -0.003 4.348 4.350 0.002 0.000 0.195 203 E C 1.095 177.927 176.600 0.387 0.000 1.028 203 E CA -0.197 56.409 56.400 0.343 0.000 0.899 203 E CB 0.162 30.140 29.700 0.463 0.000 1.032 203 E HN 0.863 nan 8.360 nan 0.000 0.468 204 W N 2.269 123.336 121.300 -0.389 0.000 2.289 204 W HA -0.203 4.458 4.660 0.002 0.000 0.331 204 W C -1.317 175.201 176.519 -0.002 0.000 1.283 204 W CA 1.708 58.785 57.345 -0.448 0.000 1.252 204 W CB -1.814 27.105 29.460 -0.903 0.000 1.153 204 W HN 0.166 nan 8.180 nan 0.000 0.467 205 P HA -0.182 nan 4.420 nan 0.000 0.217 205 P C 2.016 179.527 177.300 0.352 0.000 1.150 205 P CA 1.852 64.973 63.100 0.034 0.000 0.832 205 P CB -0.503 31.284 31.700 0.145 0.000 0.787 206 L N -1.261 120.224 121.223 0.437 0.000 2.043 206 L HA -0.177 4.164 4.340 0.002 0.000 0.212 206 L C 2.049 179.049 176.870 0.217 0.000 1.075 206 L CA 1.924 56.958 54.840 0.322 0.000 0.752 206 L CB -1.463 40.640 42.059 0.072 0.000 0.891 206 L HN -0.056 nan 8.230 nan 0.000 0.432 207 Y N -1.903 118.595 120.300 0.331 0.000 2.583 207 Y HA -0.020 4.531 4.550 0.002 0.000 0.293 207 Y C 2.303 178.439 175.900 0.394 0.000 1.157 207 Y CA 0.532 58.826 58.100 0.323 0.000 1.315 207 Y CB -0.276 38.340 38.460 0.261 0.000 1.021 207 Y HN 0.192 nan 8.280 nan 0.000 0.536 208 M N -1.576 118.296 119.600 0.455 0.000 2.287 208 M HA -0.054 4.427 4.480 0.002 0.000 0.266 208 M C -0.130 176.356 176.300 0.311 0.000 1.079 208 M CA 0.764 56.251 55.300 0.311 0.000 1.146 208 M CB -0.042 32.566 32.600 0.014 0.000 1.374 208 M HN 0.158 nan 8.290 nan 0.000 0.435 209 W N 1.578 122.990 121.300 0.187 0.000 2.150 209 W HA 0.210 4.871 4.660 0.002 0.000 0.341 209 W C -1.916 174.444 176.519 -0.266 0.000 1.276 209 W CA -1.866 55.479 57.345 -0.001 0.000 1.238 209 W CB -0.983 28.506 29.460 0.047 0.000 1.128 209 W HN 0.014 nan 8.180 nan 0.000 0.581 210 P HA 0.143 nan 4.420 nan 0.000 0.231 210 P C -0.123 176.832 177.300 -0.575 0.000 1.833 210 P CA -0.044 62.830 63.100 -0.378 0.000 1.023 210 P CB -0.524 30.948 31.700 -0.379 0.000 1.643 211 F N 0.229 120.267 119.950 0.146 0.000 2.731 211 F HA 0.248 4.776 4.527 0.002 0.000 0.298 211 F C 1.183 177.008 175.800 0.041 0.000 1.106 211 F CA 0.024 58.075 58.000 0.086 0.000 1.329 211 F CB 0.231 39.283 39.000 0.086 0.000 1.100 211 F HN 0.100 nan 8.300 nan 0.000 0.592 212 Q N -1.238 118.609 119.800 0.078 0.000 2.944 212 Q HA 0.153 4.494 4.340 0.002 0.000 0.247 212 Q C -1.465 174.411 176.000 -0.206 0.000 0.985 212 Q CA -1.250 54.542 55.803 -0.017 0.000 0.872 212 Q CB 0.437 29.178 28.738 0.004 0.000 2.052 212 Q HN -0.072 nan 8.270 nan 0.000 0.515 213 K N 1.369 121.611 120.400 -0.262 0.000 2.494 213 K HA 0.277 4.598 4.320 0.002 0.000 0.273 213 K C -2.322 173.936 176.600 -0.570 0.000 0.970 213 K CA -0.439 55.510 56.287 -0.564 0.000 0.963 213 K CB -0.254 32.082 32.500 -0.273 0.000 0.913 213 K HN 0.388 nan 8.250 nan 0.000 0.502 214 P HA 0.092 nan 4.420 nan 0.000 0.286 214 P C -1.026 175.882 177.300 -0.653 0.000 1.261 214 P CA -0.658 61.979 63.100 -0.772 0.000 0.821 214 P CB 0.652 31.692 31.700 -1.101 0.000 1.013 215 N N 1.927 120.302 118.700 -0.541 0.000 2.402 215 N HA 0.011 4.752 4.740 0.002 0.000 0.259 215 N C 0.315 175.517 175.510 -0.514 0.000 1.167 215 N CA 0.209 53.031 53.050 -0.380 0.000 0.949 215 N CB -0.232 38.102 38.487 -0.254 0.000 1.212 215 N HN 0.288 nan 8.380 nan 0.000 0.493 216 Y N 2.025 122.134 120.300 -0.317 0.000 2.263 216 Y HA -0.125 4.426 4.550 0.002 0.000 0.292 216 Y C 2.326 178.004 175.900 -0.371 0.000 1.130 216 Y CA 1.312 59.188 58.100 -0.372 0.000 1.179 216 Y CB -0.200 38.155 38.460 -0.175 0.000 0.998 216 Y HN 0.461 nan 8.280 nan 0.000 0.532 217 T N -0.296 114.196 114.554 -0.103 0.000 2.699 217 T HA -0.281 4.070 4.350 0.002 0.000 0.268 217 T C 1.749 176.345 174.700 -0.173 0.000 1.036 217 T CA 1.740 63.772 62.100 -0.114 0.000 1.147 217 T CB -0.280 68.546 68.868 -0.070 0.000 0.862 217 T HN 0.486 nan 8.240 nan 0.000 0.446 218 E N 0.737 120.808 120.200 -0.214 0.000 2.031 218 E HA -0.129 4.222 4.350 0.002 0.000 0.193 218 E C 2.168 178.649 176.600 -0.197 0.000 0.994 218 E CA 1.142 57.446 56.400 -0.159 0.000 0.800 218 E CB -0.280 29.311 29.700 -0.183 0.000 0.752 218 E HN 0.510 nan 8.360 nan 0.000 0.447 219 I N 1.046 121.268 120.570 -0.580 0.000 2.163 219 I HA -0.295 3.875 4.170 0.002 0.000 0.243 219 I C 2.857 178.675 176.117 -0.500 0.000 1.085 219 I CA 1.628 62.489 61.300 -0.732 0.000 1.347 219 I CB -0.441 36.822 38.000 -1.228 0.000 1.044 219 I HN 0.144 nan 8.210 nan 0.000 0.408 220 R N 1.270 121.412 120.500 -0.598 0.000 2.139 220 R HA -0.234 4.107 4.340 0.002 0.000 0.243 220 R C 2.063 178.288 176.300 -0.126 0.000 1.145 220 R CA 1.680 57.571 56.100 -0.349 0.000 0.976 220 R CB -0.366 29.832 30.300 -0.169 0.000 0.866 220 R HN 0.448 nan 8.270 nan 0.000 0.449 221 Q N -1.225 118.483 119.800 -0.153 0.000 2.369 221 Q HA -0.113 4.228 4.340 0.002 0.000 0.206 221 Q C 0.643 176.440 176.000 -0.338 0.000 0.963 221 Q CA 1.081 56.736 55.803 -0.247 0.000 0.894 221 Q CB 0.273 28.805 28.738 -0.343 0.000 0.965 221 Q HN 0.519 nan 8.270 nan 0.000 0.475 222 Y N -2.333 118.028 120.300 0.101 0.000 2.430 222 Y HA 0.174 4.725 4.550 0.001 0.000 0.254 222 Y C 0.423 176.552 175.900 0.381 0.000 1.088 222 Y CA -0.448 57.792 58.100 0.233 0.000 1.267 222 Y CB 1.114 39.792 38.460 0.364 0.000 1.204 222 Y HN -0.043 nan 8.280 nan 0.000 0.515 223 c N 0.180 119.035 118.600 0.425 0.000 2.498 223 c HA 0.238 4.809 4.570 0.002 0.000 0.316 223 c C 1.232 175.573 174.090 0.418 0.000 1.209 223 c CA -1.017 55.572 56.329 0.433 0.000 1.518 223 c CB 1.120 43.841 42.510 0.350 0.000 2.147 223 c HN 0.478 nan 8.230 nan 0.000 0.483 224 N N 0.245 119.100 118.700 0.259 0.000 2.188 224 N HA -0.034 4.707 4.740 0.002 0.000 0.184 224 N C -0.024 175.602 175.510 0.193 0.000 1.018 224 N CA 1.237 54.377 53.050 0.151 0.000 0.858 224 N CB 0.046 38.531 38.487 -0.003 0.000 0.989 224 N HN 0.912 nan 8.380 nan 0.000 0.426 225 H N -3.109 116.158 119.070 0.328 0.000 2.981 225 H HA 0.536 5.092 4.556 0.002 0.000 0.327 225 H C -1.824 173.699 175.328 0.324 0.000 1.342 225 H CA -1.598 54.502 56.048 0.087 0.000 1.123 225 H CB 0.160 29.940 29.762 0.029 0.000 1.851 225 H HN 0.153 nan 8.280 nan 0.000 0.531 226 W N -0.686 120.824 121.300 0.350 0.000 3.217 226 W HA 0.715 5.375 4.660 0.001 0.000 0.323 226 W C -1.349 175.321 176.519 0.252 0.000 1.216 226 W CA -1.189 56.300 57.345 0.239 0.000 1.194 226 W CB 1.391 30.958 29.460 0.179 0.000 1.397 226 W HN 0.433 nan 8.180 nan 0.000 0.537 227 R N 2.317 123.062 120.500 0.409 0.000 2.297 227 R HA 0.252 4.593 4.340 0.002 0.000 0.308 227 R C -0.062 176.455 176.300 0.362 0.000 1.029 227 R CA -0.318 55.957 56.100 0.291 0.000 0.929 227 R CB 1.355 31.781 30.300 0.210 0.000 1.046 227 R HN 0.672 nan 8.270 nan 0.000 0.461 228 N N 0.904 119.788 118.700 0.306 0.000 2.571 228 N HA 0.045 4.786 4.740 0.002 0.000 0.195 228 N C -0.118 175.349 175.510 -0.073 0.000 1.040 228 N CA 0.557 53.845 53.050 0.398 0.000 0.890 228 N CB 0.136 38.979 38.487 0.594 0.000 1.233 228 N HN 0.325 nan 8.380 nan 0.000 0.435 229 F N 1.009 120.628 119.950 -0.552 0.000 2.585 229 F HA 0.723 5.251 4.527 0.002 0.000 0.350 229 F C 0.413 175.939 175.800 -0.457 0.000 1.074 229 F CA -1.412 56.029 58.000 -0.931 0.000 1.032 229 F CB 0.478 38.702 39.000 -1.293 0.000 1.330 229 F HN 0.023 nan 8.300 nan 0.000 0.495 230 A N 1.344 123.245 122.820 -1.533 0.000 2.504 230 A HA 0.077 4.398 4.320 0.002 0.000 0.257 230 A C -0.356 176.972 177.584 -0.427 0.000 1.136 230 A CA 0.084 51.552 52.037 -0.949 0.000 0.823 230 A CB -0.449 17.855 19.000 -1.160 0.000 1.085 230 A HN 0.684 nan 8.150 nan 0.000 0.521 231 D N -0.386 119.860 120.400 -0.256 0.000 2.304 231 D HA 0.334 4.975 4.640 0.002 0.000 0.247 231 D C -0.057 176.235 176.300 -0.013 0.000 1.089 231 D CA 0.174 54.130 54.000 -0.073 0.000 0.910 231 D CB 1.122 41.916 40.800 -0.009 0.000 1.199 231 D HN 0.443 nan 8.370 nan 0.000 0.426 232 I N 1.474 122.082 120.570 0.064 0.000 2.581 232 I HA 0.071 4.242 4.170 0.002 0.000 0.288 232 I C -0.196 175.959 176.117 0.064 0.000 1.047 232 I CA -0.210 61.138 61.300 0.081 0.000 1.374 232 I CB 0.687 38.760 38.000 0.121 0.000 1.423 232 I HN 0.385 nan 8.210 nan 0.000 0.549 233 D N 4.033 124.458 120.400 0.042 0.000 2.714 233 D HA 0.212 4.853 4.640 0.002 0.000 0.278 233 D C -0.968 175.343 176.300 0.018 0.000 1.102 233 D CA -0.608 53.409 54.000 0.028 0.000 1.108 233 D CB 0.396 41.210 40.800 0.024 0.000 1.444 233 D HN 0.210 nan 8.370 nan 0.000 0.568 234 D N -0.254 120.155 120.400 0.015 0.000 2.662 234 D HA 0.218 4.859 4.640 0.002 0.000 0.228 234 D C -0.820 175.510 176.300 0.049 0.000 1.093 234 D CA 0.199 54.211 54.000 0.021 0.000 1.075 234 D CB -0.789 40.037 40.800 0.043 0.000 1.122 234 D HN 0.423 nan 8.370 nan 0.000 0.475 235 S N 0.270 116.006 115.700 0.059 0.000 2.550 235 S HA 0.165 4.636 4.470 0.002 0.000 0.270 235 S C 0.790 175.488 174.600 0.165 0.000 1.145 235 S CA -1.070 57.192 58.200 0.103 0.000 0.852 235 S CB 0.907 64.153 63.200 0.077 0.000 1.119 235 S HN 0.411 nan 8.310 nan 0.000 0.465 236 W N 2.521 123.813 121.300 -0.013 0.000 2.363 236 W HA -0.175 4.485 4.660 0.001 0.000 0.296 236 W C 1.612 178.137 176.519 0.010 0.000 1.212 236 W CA 1.828 59.165 57.345 -0.014 0.000 1.260 236 W CB -0.176 29.274 29.460 -0.018 0.000 1.131 236 W HN 0.961 nan 8.180 nan 0.000 0.530 237 K N 0.813 121.186 120.400 -0.046 0.000 2.034 237 K HA -0.272 4.049 4.320 0.002 0.000 0.214 237 K C 2.386 178.906 176.600 -0.134 0.000 1.051 237 K CA 2.582 58.789 56.287 -0.133 0.000 0.931 237 K CB -0.833 31.653 32.500 -0.023 0.000 0.715 237 K HN -0.026 nan 8.250 nan 0.000 0.446 238 S N -0.176 115.499 115.700 -0.043 0.000 2.353 238 S HA -0.104 4.367 4.470 0.002 0.000 0.222 238 S C 1.897 176.499 174.600 0.004 0.000 1.035 238 S CA 1.570 59.779 58.200 0.015 0.000 1.025 238 S CB -0.332 62.891 63.200 0.040 0.000 0.902 238 S HN 0.367 nan 8.310 nan 0.000 0.440 239 I N 1.108 121.652 120.570 -0.043 0.000 2.127 239 I HA -0.256 3.915 4.170 0.002 0.000 0.241 239 I C 2.517 178.498 176.117 -0.226 0.000 1.075 239 I CA 1.463 62.735 61.300 -0.046 0.000 1.334 239 I CB -0.316 37.689 38.000 0.007 0.000 1.040 239 I HN 0.270 nan 8.210 nan 0.000 0.405 240 K N 0.415 120.445 120.400 -0.617 0.000 2.052 240 K HA -0.271 4.050 4.320 0.002 0.000 0.215 240 K C 2.247 178.697 176.600 -0.250 0.000 1.053 240 K CA 2.307 58.227 56.287 -0.612 0.000 0.934 240 K CB -0.389 31.676 32.500 -0.724 0.000 0.717 240 K HN 0.400 nan 8.250 nan 0.000 0.450 241 S N 0.344 115.955 115.700 -0.148 0.000 2.428 241 S HA -0.049 4.422 4.470 0.002 0.000 0.230 241 S C 1.968 176.502 174.600 -0.109 0.000 1.014 241 S CA 0.615 58.780 58.200 -0.058 0.000 0.957 241 S CB -0.274 62.963 63.200 0.061 0.000 0.784 241 S HN 0.219 nan 8.310 nan 0.000 0.499 242 I N 1.219 121.798 120.570 0.016 0.000 2.163 242 I HA -0.108 4.062 4.170 0.002 0.000 0.240 242 I C 2.523 178.637 176.117 -0.006 0.000 1.081 242 I CA 1.088 62.395 61.300 0.012 0.000 1.353 242 I CB -0.350 37.790 38.000 0.233 0.000 1.054 242 I HN 0.289 nan 8.210 nan 0.000 0.407 243 L N 0.319 121.549 121.223 0.012 0.000 1.990 243 L HA -0.291 4.050 4.340 0.002 0.000 0.213 243 L C 2.183 179.127 176.870 0.124 0.000 1.072 243 L CA 1.565 56.419 54.840 0.023 0.000 0.755 243 L CB -0.773 41.249 42.059 -0.061 0.000 0.889 243 L HN 0.307 nan 8.230 nan 0.000 0.432 244 D N -1.332 119.090 120.400 0.036 0.000 2.221 244 D HA -0.229 4.412 4.640 0.002 0.000 0.204 244 D C 1.693 178.003 176.300 0.018 0.000 0.982 244 D CA 1.110 55.134 54.000 0.040 0.000 0.857 244 D CB -0.076 40.701 40.800 -0.039 0.000 0.934 244 D HN 0.491 nan 8.370 nan 0.000 0.475 245 W N 1.002 122.118 121.300 -0.306 0.000 2.526 245 W HA -0.082 4.579 4.660 0.001 0.000 0.294 245 W C 2.156 178.554 176.519 -0.202 0.000 1.181 245 W CA 1.242 58.332 57.345 -0.425 0.000 1.373 245 W CB -0.333 28.425 29.460 -1.170 0.000 1.112 245 W HN -0.239 nan 8.180 nan 0.000 0.545 246 T N -0.003 114.632 114.554 0.135 0.000 2.699 246 T HA -0.296 4.055 4.350 0.002 0.000 0.268 246 T C 1.892 176.543 174.700 -0.082 0.000 1.036 246 T CA 1.976 64.104 62.100 0.047 0.000 1.147 246 T CB -0.857 68.125 68.868 0.190 0.000 0.862 246 T HN 0.203 nan 8.240 nan 0.000 0.446 247 S N 0.287 116.010 115.700 0.038 0.000 2.368 247 S HA -0.006 4.464 4.470 0.002 0.000 0.224 247 S C 1.439 175.960 174.600 -0.132 0.000 1.029 247 S CA 0.519 58.690 58.200 -0.049 0.000 0.988 247 S CB -0.475 62.796 63.200 0.119 0.000 0.838 247 S HN 0.501 nan 8.310 nan 0.000 0.462 248 F N 1.985 121.762 119.950 -0.289 0.000 2.805 248 F HA 0.279 4.807 4.527 0.001 0.000 0.301 248 F C 1.106 176.664 175.800 -0.404 0.000 1.196 248 F CA 0.550 58.361 58.000 -0.317 0.000 1.439 248 F CB 0.093 38.900 39.000 -0.321 0.000 1.117 248 F HN 0.210 nan 8.300 nan 0.000 0.581 249 N N -0.164 118.273 118.700 -0.439 0.000 2.301 249 N HA -0.017 4.723 4.740 0.002 0.000 0.247 249 N C 1.168 176.471 175.510 -0.344 0.000 1.347 249 N CA 0.216 52.977 53.050 -0.482 0.000 0.844 249 N CB 0.355 38.342 38.487 -0.832 0.000 1.332 249 N HN 0.459 nan 8.380 nan 0.000 0.494 250 Q N 0.781 120.409 119.800 -0.287 0.000 2.002 250 Q HA -0.154 4.187 4.340 0.002 0.000 0.204 250 Q C 0.865 176.756 176.000 -0.181 0.000 0.988 250 Q CA 1.357 57.036 55.803 -0.205 0.000 0.843 250 Q CB -0.369 28.265 28.738 -0.175 0.000 0.908 250 Q HN 0.025 nan 8.270 nan 0.000 0.420 251 E N 1.257 121.345 120.200 -0.187 0.000 2.113 251 E HA -0.237 4.114 4.350 0.002 0.000 0.210 251 E C 1.990 178.514 176.600 -0.126 0.000 1.040 251 E CA 1.815 58.125 56.400 -0.150 0.000 0.847 251 E CB -0.312 29.302 29.700 -0.143 0.000 0.755 251 E HN 0.296 nan 8.360 nan 0.000 0.459 252 R N -0.247 120.178 120.500 -0.126 0.000 2.119 252 R HA -0.188 4.153 4.340 0.002 0.000 0.246 252 R C 2.268 178.444 176.300 -0.207 0.000 1.146 252 R CA 2.123 58.165 56.100 -0.096 0.000 0.962 252 R CB -0.328 29.962 30.300 -0.017 0.000 0.863 252 R HN 0.472 nan 8.270 nan 0.000 0.442 253 I N -5.126 115.301 120.570 -0.238 0.000 4.433 253 I HA 0.098 4.269 4.170 0.002 0.000 0.322 253 I C 1.779 177.832 176.117 -0.108 0.000 1.284 253 I CA -0.049 61.072 61.300 -0.300 0.000 1.269 253 I CB -0.077 37.736 38.000 -0.312 0.000 1.219 253 I HN -0.184 nan 8.210 nan 0.000 0.436 254 V N 2.178 122.045 119.914 -0.077 0.000 2.392 254 V HA -0.275 3.846 4.120 0.002 0.000 0.249 254 V C 2.043 178.141 176.094 0.007 0.000 1.059 254 V CA 2.786 65.079 62.300 -0.011 0.000 1.051 254 V CB -0.406 31.410 31.823 -0.011 0.000 0.658 254 V HN 0.472 nan 8.190 nan 0.000 0.455 255 D N -0.771 119.614 120.400 -0.025 0.000 2.249 255 D HA -0.064 4.577 4.640 0.002 0.000 0.205 255 D C 2.011 178.317 176.300 0.010 0.000 0.962 255 D CA 1.447 55.437 54.000 -0.016 0.000 0.860 255 D CB 0.069 40.844 40.800 -0.041 0.000 0.955 255 D HN 0.497 nan 8.370 nan 0.000 0.505 256 V N -1.081 118.851 119.914 0.031 0.000 2.667 256 V HA 0.175 4.296 4.120 0.002 0.000 0.252 256 V C 1.257 177.417 176.094 0.110 0.000 1.065 256 V CA 0.527 62.873 62.300 0.077 0.000 1.083 256 V CB -1.326 30.580 31.823 0.138 0.000 0.692 256 V HN 0.135 nan 8.190 nan 0.000 0.468 257 A N 0.515 123.404 122.820 0.116 0.000 2.462 257 A HA 0.638 4.958 4.320 0.002 0.000 0.243 257 A C 0.572 178.141 177.584 -0.024 0.000 1.076 257 A CA 0.789 52.874 52.037 0.080 0.000 0.773 257 A CB -0.421 18.667 19.000 0.146 0.000 1.010 257 A HN 1.279 nan 8.150 nan 0.000 0.493 258 G N 1.095 109.723 108.800 -0.286 0.000 2.441 258 G HA2 0.523 4.484 3.960 0.002 0.000 0.294 258 G HA3 0.523 4.484 3.960 0.002 0.000 0.294 258 G C -3.515 170.862 174.900 -0.871 0.000 1.393 258 G CA -0.866 44.032 45.100 -0.335 0.000 0.796 258 G HN 0.456 nan 8.290 nan 0.000 0.494 259 P HA 0.263 nan 4.420 nan 0.000 0.261 259 P C 1.045 178.117 177.300 -0.381 0.000 1.173 259 P CA 2.262 65.159 63.100 -0.339 0.000 0.760 259 P CB 0.777 32.456 31.700 -0.035 0.000 0.783 260 G N 2.221 110.819 108.800 -0.337 0.000 2.184 260 G HA2 -0.101 3.860 3.960 0.002 0.000 0.264 260 G HA3 -0.101 3.860 3.960 0.002 0.000 0.264 260 G C 0.391 175.135 174.900 -0.260 0.000 0.975 260 G CA -0.204 44.790 45.100 -0.178 0.000 0.642 260 G HN 0.959 nan 8.290 nan 0.000 0.536 261 G N -0.901 107.491 108.800 -0.680 0.000 2.160 261 G HA2 0.500 4.461 3.960 0.002 0.000 0.288 261 G HA3 0.500 4.461 3.960 0.002 0.000 0.288 261 G C -0.662 173.828 174.900 -0.684 0.000 1.335 261 G CA -0.486 44.443 45.100 -0.286 0.000 1.249 261 G HN 0.513 nan 8.290 nan 0.000 0.614 262 W N 1.339 122.435 121.300 -0.340 0.000 2.689 262 W HA 0.504 5.165 4.660 0.001 0.000 0.340 262 W C 0.083 175.888 176.519 -1.190 0.000 1.060 262 W CA -1.206 55.818 57.345 -0.536 0.000 1.218 262 W CB 1.465 30.765 29.460 -0.266 0.000 1.410 262 W HN 0.215 nan 8.180 nan 0.000 0.528 263 N N 2.223 120.637 118.700 -0.477 0.000 2.497 263 N HA 0.013 4.754 4.740 0.002 0.000 0.271 263 N C -1.069 174.276 175.510 -0.275 0.000 1.142 263 N CA 0.204 52.966 53.050 -0.481 0.000 0.965 263 N CB 0.902 39.325 38.487 -0.105 0.000 1.077 263 N HN 0.393 nan 8.380 nan 0.000 0.462 264 D N 2.422 122.690 120.400 -0.221 0.000 2.460 264 D HA 0.290 4.931 4.640 0.002 0.000 0.232 264 D C -1.957 174.342 176.300 -0.001 0.000 1.079 264 D CA -2.056 51.893 54.000 -0.085 0.000 0.864 264 D CB 1.414 42.214 40.800 -0.001 0.000 1.048 264 D HN 0.238 nan 8.370 nan 0.000 0.523 265 P HA 0.188 nan 4.420 nan 0.000 0.255 265 P C -0.423 176.993 177.300 0.193 0.000 1.248 265 P CA 0.070 63.135 63.100 -0.059 0.000 0.807 265 P CB 0.464 31.845 31.700 -0.532 0.000 1.150 266 D N -1.690 118.871 120.400 0.267 0.000 9.289 266 D HA -0.085 4.556 4.640 0.002 0.000 0.339 266 D C -0.354 176.220 176.300 0.457 0.000 2.861 266 D CA -0.151 54.034 54.000 0.308 0.000 2.268 266 D CB -0.917 40.023 40.800 0.233 0.000 1.214 266 D HN -0.135 nan 8.370 nan 0.000 1.058 267 M N 0.691 120.451 119.600 0.266 0.000 2.226 267 M HA 0.311 4.792 4.480 0.002 0.000 0.324 267 M C 0.473 176.768 176.300 -0.007 0.000 1.112 267 M CA -0.201 55.201 55.300 0.170 0.000 1.176 267 M CB 0.156 32.807 32.600 0.085 0.000 1.430 267 M HN 0.242 nan 8.290 nan 0.000 0.462 268 L N 2.029 123.202 121.223 -0.083 0.000 2.313 268 L HA 0.172 4.513 4.340 0.002 0.000 0.282 268 L C 0.774 177.529 176.870 -0.193 0.000 1.092 268 L CA -0.586 54.104 54.840 -0.250 0.000 0.831 268 L CB 0.858 42.813 42.059 -0.173 0.000 1.159 268 L HN 0.707 nan 8.230 nan 0.000 0.442 269 V N 1.436 121.216 119.914 -0.223 0.000 3.214 269 V HA 0.306 4.427 4.120 0.002 0.000 0.330 269 V C 0.730 176.724 176.094 -0.167 0.000 1.403 269 V CA -0.285 61.912 62.300 -0.171 0.000 1.143 269 V CB -0.404 31.337 31.823 -0.137 0.000 1.098 269 V HN 0.506 nan 8.190 nan 0.000 0.463 270 I N 2.418 122.889 120.570 -0.165 0.000 2.588 270 I HA 0.526 4.697 4.170 0.002 0.000 0.283 270 I C 1.458 177.519 176.117 -0.094 0.000 1.119 270 I CA 1.372 62.602 61.300 -0.117 0.000 1.419 270 I CB 0.792 38.738 38.000 -0.089 0.000 1.394 270 I HN 0.490 nan 8.210 nan 0.000 0.562 271 G N 4.361 113.107 108.800 -0.089 0.000 2.316 271 G HA2 -0.212 3.749 3.960 0.002 0.000 0.203 271 G HA3 -0.212 3.749 3.960 0.002 0.000 0.203 271 G C 0.446 175.185 174.900 -0.269 0.000 0.999 271 G CA -0.324 44.715 45.100 -0.102 0.000 0.649 271 G HN 0.548 nan 8.290 nan 0.000 0.489 272 N N -0.129 118.334 118.700 -0.396 0.000 2.178 272 N HA 0.589 5.330 4.740 0.002 0.000 0.255 272 N C 0.998 175.936 175.510 -0.955 0.000 1.245 272 N CA 0.783 53.290 53.050 -0.905 0.000 0.893 272 N CB -0.432 37.621 38.487 -0.724 0.000 1.211 272 N HN 0.162 nan 8.380 nan 0.000 0.383 273 F N -0.830 119.102 119.950 -0.030 0.000 2.778 273 F HA 0.426 4.954 4.527 0.001 0.000 0.314 273 F C 2.065 177.857 175.800 -0.013 0.000 1.073 273 F CA -0.314 57.672 58.000 -0.023 0.000 1.218 273 F CB -0.469 38.507 39.000 -0.040 0.000 1.037 273 F HN 0.342 nan 8.300 nan 0.000 0.594 274 G N 1.053 109.909 108.800 0.094 0.000 2.426 274 G HA2 0.162 4.123 3.960 0.002 0.000 0.214 274 G HA3 0.162 4.123 3.960 0.002 0.000 0.214 274 G C 0.532 175.468 174.900 0.061 0.000 1.156 274 G CA 0.319 45.470 45.100 0.085 0.000 0.802 274 G HN 0.098 nan 8.290 nan 0.000 0.534 275 L N 1.365 122.604 121.223 0.025 0.000 2.334 275 L HA 0.460 4.801 4.340 0.002 0.000 0.276 275 L C 0.807 177.666 176.870 -0.018 0.000 1.014 275 L CA -0.902 53.941 54.840 0.005 0.000 0.815 275 L CB 2.089 44.140 42.059 -0.013 0.000 1.268 275 L HN 0.163 nan 8.230 nan 0.000 0.428 276 S N 1.612 117.275 115.700 -0.061 0.000 2.625 276 S HA 0.028 4.498 4.470 0.002 0.000 0.258 276 S C 0.926 175.534 174.600 0.013 0.000 1.256 276 S CA -0.416 57.770 58.200 -0.024 0.000 0.983 276 S CB 0.474 63.630 63.200 -0.074 0.000 1.032 276 S HN 0.905 nan 8.310 nan 0.000 0.572 277 W N 1.513 122.754 121.300 -0.098 0.000 2.380 277 W HA -0.149 4.511 4.660 0.001 0.000 0.317 277 W C 1.715 178.173 176.519 -0.101 0.000 1.196 277 W CA 1.598 58.894 57.345 -0.081 0.000 1.307 277 W CB -0.935 28.489 29.460 -0.060 0.000 1.157 277 W HN 0.711 nan 8.180 nan 0.000 0.483 278 N N 0.849 119.363 118.700 -0.310 0.000 2.205 278 N HA -0.242 4.499 4.740 0.002 0.000 0.186 278 N C 1.697 176.936 175.510 -0.451 0.000 1.015 278 N CA 1.974 54.760 53.050 -0.440 0.000 0.862 278 N CB -0.575 37.769 38.487 -0.239 0.000 0.986 278 N HN 0.466 nan 8.380 nan 0.000 0.429 279 Q N 0.961 120.502 119.800 -0.433 0.000 2.079 279 Q HA -0.110 4.231 4.340 0.002 0.000 0.200 279 Q C 2.061 177.913 176.000 -0.246 0.000 0.974 279 Q CA 1.224 56.768 55.803 -0.431 0.000 0.840 279 Q CB -0.020 28.459 28.738 -0.431 0.000 0.898 279 Q HN 0.433 nan 8.270 nan 0.000 0.430 280 Q N -0.262 119.376 119.800 -0.271 0.000 2.084 280 Q HA -0.144 4.197 4.340 0.002 0.000 0.202 280 Q C 2.318 178.100 176.000 -0.363 0.000 0.978 280 Q CA 1.635 57.280 55.803 -0.262 0.000 0.844 280 Q CB -0.272 28.349 28.738 -0.195 0.000 0.898 280 Q HN 0.408 nan 8.270 nan 0.000 0.426 281 V N -0.435 119.135 119.914 -0.574 0.000 2.407 281 V HA -0.229 3.892 4.120 0.002 0.000 0.248 281 V C 1.839 177.766 176.094 -0.278 0.000 1.055 281 V CA 2.315 64.308 62.300 -0.513 0.000 1.049 281 V CB -0.833 30.582 31.823 -0.679 0.000 0.662 281 V HN 0.317 nan 8.190 nan 0.000 0.455 282 T N -0.058 114.361 114.554 -0.225 0.000 2.699 282 T HA -0.267 4.084 4.350 0.002 0.000 0.268 282 T C 1.884 176.562 174.700 -0.037 0.000 1.036 282 T CA 2.316 64.367 62.100 -0.083 0.000 1.147 282 T CB -0.349 68.547 68.868 0.047 0.000 0.862 282 T HN 0.675 nan 8.240 nan 0.000 0.446 283 Q N -0.090 119.653 119.800 -0.095 0.000 2.016 283 Q HA -0.099 4.242 4.340 0.002 0.000 0.200 283 Q C 2.395 178.316 176.000 -0.131 0.000 0.978 283 Q CA 1.519 57.194 55.803 -0.215 0.000 0.833 283 Q CB -0.199 28.258 28.738 -0.468 0.000 0.895 283 Q HN 0.426 nan 8.270 nan 0.000 0.427 284 M N 0.278 119.788 119.600 -0.151 0.000 2.065 284 M HA -0.187 4.294 4.480 0.002 0.000 0.259 284 M C 1.967 178.278 176.300 0.018 0.000 1.069 284 M CA 2.070 57.333 55.300 -0.062 0.000 1.110 284 M CB -0.430 32.126 32.600 -0.074 0.000 1.328 284 M HN 0.240 nan 8.290 nan 0.000 0.405 285 A N -0.089 122.716 122.820 -0.026 0.000 1.859 285 A HA -0.183 4.138 4.320 0.002 0.000 0.217 285 A C 2.074 179.671 177.584 0.022 0.000 1.198 285 A CA 2.145 54.173 52.037 -0.014 0.000 0.629 285 A CB -1.260 17.707 19.000 -0.055 0.000 0.830 285 A HN 0.546 nan 8.150 nan 0.000 0.446 286 L N -2.003 119.241 121.223 0.035 0.000 2.141 286 L HA -0.143 4.198 4.340 0.002 0.000 0.209 286 L C 2.441 179.400 176.870 0.149 0.000 1.094 286 L CA 1.056 55.900 54.840 0.006 0.000 0.763 286 L CB -0.390 41.583 42.059 -0.144 0.000 0.908 286 L HN 0.600 nan 8.230 nan 0.000 0.437 287 W N -0.837 120.401 121.300 -0.103 0.000 2.425 287 W HA -0.156 4.505 4.660 0.001 0.000 0.277 287 W C 2.389 178.862 176.519 -0.076 0.000 1.231 287 W CA 0.541 57.843 57.345 -0.072 0.000 1.248 287 W CB -0.027 29.402 29.460 -0.053 0.000 1.117 287 W HN 0.241 nan 8.180 nan 0.000 0.568 288 A N 0.538 123.437 122.820 0.131 0.000 1.855 288 A HA -0.182 4.139 4.320 0.002 0.000 0.215 288 A C 1.762 179.348 177.584 0.004 0.000 1.191 288 A CA 1.291 53.350 52.037 0.036 0.000 0.613 288 A CB -1.000 18.018 19.000 0.030 0.000 0.829 288 A HN 0.056 nan 8.150 nan 0.000 0.442 289 I N -0.154 120.430 120.570 0.023 0.000 2.248 289 I HA -0.262 3.909 4.170 0.002 0.000 0.248 289 I C 2.234 178.379 176.117 0.048 0.000 1.107 289 I CA 1.593 62.921 61.300 0.046 0.000 1.373 289 I CB -1.043 37.011 38.000 0.091 0.000 1.055 289 I HN 0.383 nan 8.210 nan 0.000 0.418 290 M N 0.183 119.780 119.600 -0.005 0.000 2.682 290 M HA 0.102 4.583 4.480 0.002 0.000 0.235 290 M C 1.006 177.261 176.300 -0.074 0.000 1.114 290 M CA 0.260 55.533 55.300 -0.046 0.000 1.053 290 M CB -0.247 32.220 32.600 -0.221 0.000 1.599 290 M HN 0.289 nan 8.290 nan 0.000 0.520 291 A N 1.319 124.090 122.820 -0.081 0.000 2.462 291 A HA -0.100 4.221 4.320 0.002 0.000 0.294 291 A C 0.523 177.940 177.584 -0.278 0.000 1.461 291 A CA 0.710 52.642 52.037 -0.174 0.000 0.765 291 A CB -1.895 17.084 19.000 -0.034 0.000 1.071 291 A HN 0.644 nan 8.150 nan 0.000 0.401 292 A N 0.196 122.858 122.820 -0.264 0.000 2.302 292 A HA 0.762 5.083 4.320 0.002 0.000 0.285 292 A C -1.914 175.478 177.584 -0.320 0.000 1.105 292 A CA -1.631 50.240 52.037 -0.278 0.000 0.816 292 A CB 0.281 19.100 19.000 -0.301 0.000 1.067 292 A HN 0.386 nan 8.150 nan 0.000 0.489 293 P HA 0.289 nan 4.420 nan 0.000 0.272 293 P C -1.012 176.200 177.300 -0.146 0.000 1.223 293 P CA 0.130 63.012 63.100 -0.363 0.000 0.784 293 P CB 0.375 31.835 31.700 -0.401 0.000 0.923 294 L N 2.845 123.914 121.223 -0.256 0.000 2.356 294 L HA 0.418 4.759 4.340 0.002 0.000 0.264 294 L C -0.617 176.203 176.870 -0.083 0.000 1.029 294 L CA -0.315 54.514 54.840 -0.018 0.000 0.897 294 L CB -0.033 42.072 42.059 0.075 0.000 1.256 294 L HN 0.280 nan 8.230 nan 0.000 0.444 295 F N 2.587 122.626 119.950 0.148 0.000 2.388 295 F HA 0.463 4.991 4.527 0.001 0.000 0.358 295 F C 0.636 176.441 175.800 0.007 0.000 1.122 295 F CA -0.533 57.541 58.000 0.122 0.000 1.056 295 F CB 1.487 40.535 39.000 0.080 0.000 1.155 295 F HN 0.321 nan 8.300 nan 0.000 0.461 296 M N 2.421 122.068 119.600 0.079 0.000 2.228 296 M HA 0.167 4.648 4.480 0.002 0.000 0.351 296 M C 0.237 176.307 176.300 -0.385 0.000 1.233 296 M CA 0.180 55.397 55.300 -0.138 0.000 1.129 296 M CB 0.913 33.391 32.600 -0.205 0.000 1.604 296 M HN 0.461 nan 8.290 nan 0.000 0.457 297 S N 3.779 119.288 115.700 -0.318 0.000 2.542 297 S HA 0.503 4.974 4.470 0.002 0.000 0.245 297 S C -1.140 173.321 174.600 -0.232 0.000 1.325 297 S CA -0.769 57.174 58.200 -0.427 0.000 1.176 297 S CB -0.128 62.915 63.200 -0.262 0.000 1.045 297 S HN 0.862 nan 8.310 nan 0.000 0.481 298 N N 1.898 120.545 118.700 -0.088 0.000 3.277 298 N HA 0.366 5.107 4.740 0.002 0.000 0.278 298 N C -2.120 173.618 175.510 0.379 0.000 1.544 298 N CA -0.752 52.322 53.050 0.040 0.000 0.869 298 N CB 0.583 39.044 38.487 -0.043 0.000 1.584 298 N HN 0.228 nan 8.380 nan 0.000 0.564 299 D N 0.297 120.845 120.400 0.247 0.000 2.427 299 D HA 0.305 4.946 4.640 0.002 0.000 0.226 299 D C 0.319 176.740 176.300 0.201 0.000 1.076 299 D CA -0.462 53.762 54.000 0.374 0.000 0.849 299 D CB 0.784 41.801 40.800 0.362 0.000 1.052 299 D HN 0.414 nan 8.370 nan 0.000 0.515 300 L N 3.917 125.192 121.223 0.087 0.000 2.376 300 L HA 0.051 4.392 4.340 0.002 0.000 0.219 300 L C 2.211 179.092 176.870 0.019 0.000 1.133 300 L CA 1.061 55.877 54.840 -0.041 0.000 0.816 300 L CB -0.324 41.559 42.059 -0.293 0.000 0.933 300 L HN 0.373 nan 8.230 nan 0.000 0.449 301 R N -1.449 119.043 120.500 -0.013 0.000 2.119 301 R HA 0.020 4.361 4.340 0.002 0.000 0.222 301 R C -0.108 175.981 176.300 -0.351 0.000 1.088 301 R CA 0.722 56.717 56.100 -0.176 0.000 0.984 301 R CB -0.155 30.019 30.300 -0.210 0.000 0.884 301 R HN 0.382 nan 8.270 nan 0.000 0.447 302 H N -0.478 118.645 119.070 0.088 0.000 2.991 302 H HA 0.445 5.002 4.556 0.002 0.000 0.304 302 H C -1.313 174.058 175.328 0.072 0.000 1.040 302 H CA -0.465 55.631 56.048 0.080 0.000 1.410 302 H CB 1.484 31.298 29.762 0.086 0.000 1.529 302 H HN 0.016 nan 8.280 nan 0.000 0.509 303 I N 2.134 122.801 120.570 0.161 0.000 2.610 303 I HA 0.304 4.475 4.170 0.002 0.000 0.289 303 I C -0.329 175.855 176.117 0.111 0.000 1.163 303 I CA -0.612 60.766 61.300 0.130 0.000 1.044 303 I CB 1.329 39.433 38.000 0.174 0.000 1.251 303 I HN 0.680 nan 8.210 nan 0.000 0.424 304 S N 7.094 122.843 115.700 0.082 0.000 2.563 304 S HA 0.244 4.715 4.470 0.002 0.000 0.284 304 S C -1.917 172.721 174.600 0.064 0.000 1.331 304 S CA -0.546 57.691 58.200 0.061 0.000 1.047 304 S CB 0.621 63.849 63.200 0.047 0.000 0.859 304 S HN 0.596 nan 8.310 nan 0.000 0.514 305 P HA -0.040 nan 4.420 nan 0.000 0.231 305 P C 1.284 178.591 177.300 0.012 0.000 1.168 305 P CA 0.661 63.773 63.100 0.020 0.000 0.779 305 P CB -0.050 31.647 31.700 -0.005 0.000 0.844 306 Q N 0.037 119.834 119.800 -0.005 0.000 2.451 306 Q HA 0.093 4.434 4.340 0.002 0.000 0.206 306 Q C 1.549 177.631 176.000 0.137 0.000 0.947 306 Q CA 0.867 56.664 55.803 -0.010 0.000 0.937 306 Q CB -0.443 28.182 28.738 -0.189 0.000 1.025 306 Q HN 0.099 nan 8.270 nan 0.000 0.511 307 A N 1.653 124.563 122.820 0.150 0.000 1.930 307 A HA -0.101 4.219 4.320 0.002 0.000 0.215 307 A C 2.139 179.846 177.584 0.206 0.000 1.176 307 A CA 1.198 53.355 52.037 0.200 0.000 0.632 307 A CB -0.365 18.721 19.000 0.142 0.000 0.819 307 A HN 0.364 nan 8.150 nan 0.000 0.445 308 K N -0.036 120.469 120.400 0.175 0.000 2.020 308 K HA -0.171 4.150 4.320 0.002 0.000 0.212 308 K C 2.211 178.835 176.600 0.041 0.000 1.050 308 K CA 1.392 57.747 56.287 0.113 0.000 0.929 308 K CB -0.416 32.077 32.500 -0.012 0.000 0.714 308 K HN 0.357 nan 8.250 nan 0.000 0.443 309 A N 1.904 124.752 122.820 0.047 0.000 1.863 309 A HA -0.276 4.045 4.320 0.002 0.000 0.218 309 A C 2.165 179.816 177.584 0.112 0.000 1.233 309 A CA 2.039 54.108 52.037 0.054 0.000 0.655 309 A CB -1.203 17.833 19.000 0.060 0.000 0.839 309 A HN 0.470 nan 8.150 nan 0.000 0.454 310 L N -0.776 120.566 121.223 0.198 0.000 1.976 310 L HA -0.254 4.086 4.340 0.002 0.000 0.223 310 L C 2.633 179.595 176.870 0.154 0.000 1.081 310 L CA 2.240 57.189 54.840 0.183 0.000 0.784 310 L CB -0.471 41.704 42.059 0.193 0.000 0.896 310 L HN 0.519 nan 8.230 nan 0.000 0.438 311 L N -0.906 120.433 121.223 0.193 0.000 2.351 311 L HA -0.270 4.071 4.340 0.002 0.000 0.220 311 L C 1.934 179.021 176.870 0.361 0.000 1.127 311 L CA 1.224 56.233 54.840 0.282 0.000 0.786 311 L CB -0.176 42.113 42.059 0.384 0.000 0.914 311 L HN 0.519 nan 8.230 nan 0.000 0.443 312 Q N -1.797 118.125 119.800 0.204 0.000 2.171 312 Q HA 0.055 4.396 4.340 0.002 0.000 0.218 312 Q C -0.117 175.931 176.000 0.080 0.000 0.822 312 Q CA -0.313 55.573 55.803 0.139 0.000 0.987 312 Q CB 0.633 29.343 28.738 -0.047 0.000 1.144 312 Q HN 0.207 nan 8.270 nan 0.000 0.494 313 D N 1.560 122.014 120.400 0.090 0.000 2.426 313 D HA -0.067 4.574 4.640 0.002 0.000 0.261 313 D C 0.669 176.996 176.300 0.045 0.000 1.245 313 D CA 0.374 54.412 54.000 0.064 0.000 0.917 313 D CB 0.982 41.825 40.800 0.071 0.000 1.123 313 D HN -0.160 nan 8.370 nan 0.000 0.508 314 K N 3.208 123.624 120.400 0.028 0.000 1.991 314 K HA -0.141 4.180 4.320 0.002 0.000 0.212 314 K C 1.456 178.063 176.600 0.011 0.000 1.049 314 K CA 1.334 57.629 56.287 0.013 0.000 0.932 314 K CB -0.302 32.203 32.500 0.008 0.000 0.717 314 K HN 0.540 nan 8.250 nan 0.000 0.441 315 D N 0.107 120.519 120.400 0.019 0.000 2.106 315 D HA -0.169 4.472 4.640 0.002 0.000 0.191 315 D C 2.001 178.312 176.300 0.019 0.000 0.997 315 D CA 1.573 55.585 54.000 0.021 0.000 0.834 315 D CB -0.371 40.447 40.800 0.031 0.000 0.956 315 D HN -0.056 nan 8.370 nan 0.000 0.448 316 V N 1.782 121.711 119.914 0.025 0.000 2.287 316 V HA -0.237 3.884 4.120 0.002 0.000 0.248 316 V C 2.648 178.747 176.094 0.008 0.000 1.053 316 V CA 1.192 63.505 62.300 0.021 0.000 1.027 316 V CB -0.453 31.387 31.823 0.028 0.000 0.646 316 V HN 0.186 nan 8.190 nan 0.000 0.447 317 I N 0.343 120.915 120.570 0.004 0.000 2.118 317 I HA -0.327 3.844 4.170 0.002 0.000 0.241 317 I C 2.747 178.833 176.117 -0.051 0.000 1.070 317 I CA 1.616 62.898 61.300 -0.032 0.000 1.327 317 I CB -0.742 37.230 38.000 -0.047 0.000 1.034 317 I HN 0.332 nan 8.210 nan 0.000 0.405 318 A N 1.239 124.040 122.820 -0.032 0.000 1.929 318 A HA -0.280 4.041 4.320 0.002 0.000 0.221 318 A C 2.267 179.832 177.584 -0.031 0.000 1.211 318 A CA 2.218 54.238 52.037 -0.028 0.000 0.657 318 A CB -1.068 17.926 19.000 -0.009 0.000 0.827 318 A HN 0.470 nan 8.150 nan 0.000 0.462 319 I N -0.467 120.091 120.570 -0.020 0.000 2.202 319 I HA -0.258 3.913 4.170 0.002 0.000 0.242 319 I C 2.559 178.649 176.117 -0.045 0.000 1.091 319 I CA 1.569 62.858 61.300 -0.019 0.000 1.368 319 I CB -0.676 37.325 38.000 0.002 0.000 1.058 319 I HN 0.526 nan 8.210 nan 0.000 0.410 320 N N 1.135 119.800 118.700 -0.058 0.000 2.094 320 N HA -0.227 4.514 4.740 0.002 0.000 0.191 320 N C 1.508 176.919 175.510 -0.165 0.000 1.023 320 N CA 1.476 54.461 53.050 -0.108 0.000 0.857 320 N CB 0.055 38.481 38.487 -0.102 0.000 1.013 320 N HN 0.397 nan 8.380 nan 0.000 0.426 321 Q N 0.993 120.715 119.800 -0.129 0.000 2.280 321 Q HA 0.026 4.367 4.340 0.002 0.000 0.202 321 Q C -0.641 175.318 176.000 -0.067 0.000 0.903 321 Q CA -0.153 55.573 55.803 -0.128 0.000 0.948 321 Q CB -0.514 28.160 28.738 -0.106 0.000 1.058 321 Q HN 0.385 nan 8.270 nan 0.000 0.493 322 D N 2.313 122.681 120.400 -0.053 0.000 2.520 322 D HA -0.066 4.575 4.640 0.002 0.000 0.243 322 D C -1.185 175.121 176.300 0.009 0.000 1.160 322 D CA -0.860 53.127 54.000 -0.022 0.000 0.877 322 D CB 1.019 41.802 40.800 -0.029 0.000 1.150 322 D HN -0.010 nan 8.370 nan 0.000 0.494 323 P HA -0.159 nan 4.420 nan 0.000 0.223 323 P C 1.713 179.052 177.300 0.064 0.000 1.144 323 P CA 0.582 63.710 63.100 0.046 0.000 0.783 323 P CB 0.217 31.936 31.700 0.032 0.000 0.771 324 L N -0.364 120.882 121.223 0.038 0.000 1.976 324 L HA -0.100 4.240 4.340 0.002 0.000 0.209 324 L C 1.796 178.716 176.870 0.084 0.000 1.071 324 L CA 2.327 57.187 54.840 0.033 0.000 0.746 324 L CB -1.099 40.950 42.059 -0.016 0.000 0.890 324 L HN 0.238 nan 8.230 nan 0.000 0.432 325 G N -0.654 108.222 108.800 0.126 0.000 2.144 325 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 325 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 325 G C 0.042 175.072 174.900 0.216 0.000 0.988 325 G CA -0.208 45.057 45.100 0.276 0.000 0.659 325 G HN 0.248 nan 8.290 nan 0.000 0.522 326 K N 0.730 121.188 120.400 0.096 0.000 2.339 326 K HA 0.262 4.583 4.320 0.002 0.000 0.286 326 K C 0.567 177.225 176.600 0.096 0.000 1.050 326 K CA -0.289 56.039 56.287 0.068 0.000 0.956 326 K CB 1.354 33.847 32.500 -0.011 0.000 0.990 326 K HN 0.579 nan 8.250 nan 0.000 0.475 327 Q N 1.375 121.255 119.800 0.134 0.000 2.288 327 Q HA 0.259 4.600 4.340 0.002 0.000 0.254 327 Q C 0.212 176.312 176.000 0.168 0.000 0.932 327 Q CA -0.271 55.617 55.803 0.142 0.000 0.902 327 Q CB 0.959 29.786 28.738 0.148 0.000 1.203 327 Q HN 0.729 nan 8.270 nan 0.000 0.415 328 G N 1.987 110.868 108.800 0.135 0.000 2.588 328 G HA2 0.415 4.376 3.960 0.002 0.000 0.278 328 G HA3 0.415 4.376 3.960 0.002 0.000 0.278 328 G C -1.235 173.779 174.900 0.190 0.000 1.307 328 G CA -0.046 45.121 45.100 0.111 0.000 1.016 328 G HN 0.763 nan 8.290 nan 0.000 0.503 329 Y N -3.986 116.368 120.300 0.091 0.000 2.713 329 Y HA 0.532 5.083 4.550 0.001 0.000 0.335 329 Y C -0.592 175.069 175.900 -0.398 0.000 1.222 329 Y CA -1.359 56.663 58.100 -0.130 0.000 1.061 329 Y CB 1.123 39.510 38.460 -0.121 0.000 1.314 329 Y HN 0.527 nan 8.280 nan 0.000 0.453 330 Q N 1.957 121.315 119.800 -0.737 0.000 2.314 330 Q HA 0.253 4.594 4.340 0.002 0.000 0.257 330 Q C -0.191 175.602 176.000 -0.344 0.000 0.975 330 Q CA -0.430 54.711 55.803 -1.103 0.000 0.933 330 Q CB 1.361 29.250 28.738 -1.414 0.000 1.195 330 Q HN 0.875 nan 8.270 nan 0.000 0.426 331 L N 4.803 125.890 121.223 -0.228 0.000 2.084 331 L HA 0.206 4.547 4.340 0.002 0.000 0.202 331 L C 0.316 177.154 176.870 -0.052 0.000 1.074 331 L CA 1.661 56.487 54.840 -0.023 0.000 0.757 331 L CB -0.015 42.043 42.059 -0.002 0.000 0.918 331 L HN 0.573 nan 8.230 nan 0.000 0.444 332 R N -1.311 119.152 120.500 -0.063 0.000 2.905 332 R HA 0.564 4.904 4.340 0.002 0.000 0.260 332 R C -1.558 174.746 176.300 0.007 0.000 1.086 332 R CA -0.647 55.449 56.100 -0.007 0.000 0.978 332 R CB 1.508 31.836 30.300 0.045 0.000 1.215 332 R HN 0.280 nan 8.270 nan 0.000 0.480 333 Q N 0.300 120.132 119.800 0.053 0.000 2.503 333 Q HA 0.513 4.854 4.340 0.002 0.000 0.268 333 Q C -1.429 174.633 176.000 0.105 0.000 0.982 333 Q CA 0.131 55.979 55.803 0.075 0.000 0.907 333 Q CB 1.923 30.681 28.738 0.034 0.000 1.467 333 Q HN 0.916 nan 8.270 nan 0.000 0.394 334 G N 2.264 111.140 108.800 0.127 0.000 2.497 334 G HA2 0.218 4.179 3.960 0.002 0.000 0.686 334 G HA3 0.218 4.179 3.960 0.002 0.000 0.686 334 G C -0.601 174.417 174.900 0.197 0.000 1.288 334 G CA 0.214 45.392 45.100 0.129 0.000 0.899 334 G HN 1.479 nan 8.290 nan 0.000 0.608 335 D N 0.040 120.529 120.400 0.148 0.000 2.701 335 D HA -0.198 4.443 4.640 0.002 0.000 0.235 335 D C 0.991 177.291 176.300 -0.000 0.000 1.155 335 D CA 1.971 56.057 54.000 0.143 0.000 0.649 335 D CB -1.035 39.930 40.800 0.275 0.000 1.050 335 D HN 1.232 nan 8.370 nan 0.000 0.425 336 N N -1.135 117.538 118.700 -0.046 0.000 2.708 336 N HA -0.254 4.487 4.740 0.002 0.000 0.249 336 N C -0.621 174.697 175.510 -0.320 0.000 1.097 336 N CA 1.481 54.434 53.050 -0.162 0.000 0.710 336 N CB -1.263 37.085 38.487 -0.232 0.000 1.032 336 N HN 0.461 nan 8.380 nan 0.000 0.551 337 F N 0.386 120.347 119.950 0.018 0.000 2.579 337 F HA 0.467 4.995 4.527 0.001 0.000 0.324 337 F C 0.646 176.427 175.800 -0.032 0.000 1.058 337 F CA -0.720 57.242 58.000 -0.062 0.000 0.944 337 F CB 1.766 40.639 39.000 -0.212 0.000 1.245 337 F HN -0.220 nan 8.300 nan 0.000 0.477 338 E N 0.973 121.295 120.200 0.204 0.000 2.256 338 E HA 0.519 4.870 4.350 0.002 0.000 0.268 338 E C -1.613 175.110 176.600 0.205 0.000 0.877 338 E CA -0.798 55.744 56.400 0.237 0.000 0.757 338 E CB 2.868 32.835 29.700 0.446 0.000 1.183 338 E HN 0.220 nan 8.360 nan 0.000 0.418 339 V N 2.945 122.942 119.914 0.138 0.000 2.370 339 V HA 0.406 4.527 4.120 0.002 0.000 0.283 339 V C -0.911 175.268 176.094 0.142 0.000 1.023 339 V CA -0.733 61.642 62.300 0.125 0.000 0.857 339 V CB 0.283 32.117 31.823 0.020 0.000 0.985 339 V HN 0.587 nan 8.190 nan 0.000 0.443 340 W N 2.785 124.042 121.300 -0.072 0.000 2.706 340 W HA 0.774 5.435 4.660 0.001 0.000 0.346 340 W C 0.120 176.550 176.519 -0.148 0.000 1.071 340 W CA -0.722 56.559 57.345 -0.107 0.000 1.206 340 W CB 1.429 30.848 29.460 -0.069 0.000 1.413 340 W HN 0.698 nan 8.180 nan 0.000 0.542 341 E N 0.702 120.840 120.200 -0.103 0.000 2.430 341 E HA 0.757 5.108 4.350 0.002 0.000 0.279 341 E C -1.554 174.967 176.600 -0.132 0.000 1.003 341 E CA -1.454 54.909 56.400 -0.062 0.000 0.801 341 E CB 2.825 32.498 29.700 -0.044 0.000 1.313 341 E HN 0.449 nan 8.360 nan 0.000 0.459 342 R N 1.297 121.863 120.500 0.110 0.000 2.564 342 R HA 0.393 4.734 4.340 0.002 0.000 0.284 342 R C -2.792 173.439 176.300 -0.114 0.000 1.031 342 R CA -2.054 54.054 56.100 0.014 0.000 0.904 342 R CB 2.170 32.472 30.300 0.004 0.000 1.199 342 R HN 0.417 nan 8.270 nan 0.000 0.443 343 P HA 0.166 nan 4.420 nan 0.000 0.276 343 P C -0.759 176.227 177.300 -0.523 0.000 1.235 343 P CA -0.049 62.340 63.100 -1.185 0.000 0.772 343 P CB 1.088 32.069 31.700 -1.199 0.000 0.871 344 L N 1.389 122.338 121.223 -0.457 0.000 2.391 344 L HA 0.503 4.844 4.340 0.002 0.000 0.266 344 L C 0.807 177.581 176.870 -0.160 0.000 1.035 344 L CA -1.075 53.645 54.840 -0.201 0.000 0.877 344 L CB 0.686 42.685 42.059 -0.099 0.000 1.504 344 L HN 0.233 nan 8.230 nan 0.000 0.503 345 S N -0.451 115.204 115.700 -0.074 0.000 2.586 345 S HA 0.486 4.957 4.470 0.002 0.000 0.274 345 S C 0.590 175.179 174.600 -0.019 0.000 1.281 345 S CA 0.137 58.311 58.200 -0.043 0.000 1.035 345 S CB 1.200 64.390 63.200 -0.016 0.000 0.962 345 S HN 1.010 nan 8.310 nan 0.000 0.512 346 G N 1.137 109.935 108.800 -0.003 0.000 2.212 346 G HA2 -0.218 3.743 3.960 0.002 0.000 0.255 346 G HA3 -0.218 3.743 3.960 0.002 0.000 0.255 346 G C 0.232 175.162 174.900 0.050 0.000 1.062 346 G CA -0.263 44.852 45.100 0.025 0.000 0.815 346 G HN 1.146 nan 8.290 nan 0.000 0.497 347 L N -3.524 117.726 121.223 0.045 0.000 3.843 347 L HA -0.203 4.138 4.340 0.002 0.000 0.411 347 L C 1.269 178.250 176.870 0.185 0.000 1.205 347 L CA 0.867 55.778 54.840 0.118 0.000 0.945 347 L CB -2.025 40.121 42.059 0.146 0.000 1.929 347 L HN 1.510 nan 8.230 nan 0.000 0.934 348 A N -1.211 121.668 122.820 0.098 0.000 2.269 348 A HA 0.822 5.143 4.320 0.002 0.000 0.319 348 A C -0.795 176.863 177.584 0.122 0.000 1.110 348 A CA -0.185 51.956 52.037 0.172 0.000 0.847 348 A CB 0.731 19.794 19.000 0.105 0.000 1.161 348 A HN 0.284 nan 8.150 nan 0.000 0.497 349 W N -1.283 120.044 121.300 0.045 0.000 3.217 349 W HA 0.596 5.257 4.660 0.002 0.000 0.323 349 W C -0.161 176.369 176.519 0.017 0.000 1.216 349 W CA -0.089 57.275 57.345 0.030 0.000 1.194 349 W CB 1.962 31.439 29.460 0.029 0.000 1.397 349 W HN 0.899 nan 8.180 nan 0.000 0.537 350 A N 1.837 124.810 122.820 0.256 0.000 2.305 350 A HA 0.870 5.191 4.320 0.002 0.000 0.322 350 A C -1.225 176.450 177.584 0.152 0.000 1.187 350 A CA -0.612 51.517 52.037 0.155 0.000 0.825 350 A CB 0.759 19.812 19.000 0.090 0.000 1.164 350 A HN 0.465 nan 8.150 nan 0.000 0.498 351 V N 1.040 121.010 119.914 0.095 0.000 2.604 351 V HA 0.774 4.895 4.120 0.002 0.000 0.305 351 V C 0.226 176.350 176.094 0.050 0.000 1.043 351 V CA -0.345 61.993 62.300 0.064 0.000 0.888 351 V CB 1.626 33.461 31.823 0.020 0.000 0.995 351 V HN 1.253 nan 8.190 nan 0.000 0.429 352 A N 5.253 128.115 122.820 0.070 0.000 2.335 352 A HA 0.899 5.220 4.320 0.002 0.000 0.304 352 A C -0.782 176.835 177.584 0.056 0.000 1.118 352 A CA -0.532 51.531 52.037 0.043 0.000 0.757 352 A CB 1.144 20.157 19.000 0.021 0.000 1.188 352 A HN 0.813 nan 8.150 nan 0.000 0.460 353 M N 3.055 122.661 119.600 0.009 0.000 2.101 353 M HA 0.456 4.937 4.480 0.002 0.000 0.340 353 M C -0.907 175.400 176.300 0.012 0.000 1.057 353 M CA 0.128 55.415 55.300 -0.021 0.000 0.984 353 M CB 1.187 33.732 32.600 -0.092 0.000 1.560 353 M HN 0.573 nan 8.290 nan 0.000 0.435 354 I N 2.768 123.369 120.570 0.052 0.000 2.336 354 I HA 0.316 4.486 4.170 0.002 0.000 0.292 354 I C 0.044 176.242 176.117 0.134 0.000 0.991 354 I CA -0.791 60.552 61.300 0.072 0.000 1.227 354 I CB 1.226 39.261 38.000 0.058 0.000 1.366 354 I HN 0.560 nan 8.210 nan 0.000 0.466 355 N N 5.847 124.604 118.700 0.094 0.000 2.437 355 N HA 0.175 4.916 4.740 0.002 0.000 0.243 355 N C 0.537 176.027 175.510 -0.034 0.000 1.041 355 N CA -0.247 52.791 53.050 -0.020 0.000 0.940 355 N CB 0.758 39.247 38.487 0.003 0.000 1.133 355 N HN 0.389 nan 8.380 nan 0.000 0.506 356 R N 1.718 122.178 120.500 -0.066 0.000 2.310 356 R HA 0.063 4.404 4.340 0.002 0.000 0.202 356 R C -0.014 176.291 176.300 0.010 0.000 0.933 356 R CA 0.080 56.213 56.100 0.055 0.000 1.054 356 R CB 0.104 30.439 30.300 0.058 0.000 0.985 356 R HN 0.643 nan 8.270 nan 0.000 0.489 357 Q N 1.722 121.460 119.800 -0.104 0.000 2.323 357 Q HA 0.016 4.357 4.340 0.002 0.000 0.257 357 Q C -0.156 175.826 176.000 -0.030 0.000 1.022 357 Q CA 0.135 55.890 55.803 -0.080 0.000 0.919 357 Q CB 0.752 29.400 28.738 -0.151 0.000 1.220 357 Q HN 0.199 nan 8.270 nan 0.000 0.427 358 E N 4.420 124.628 120.200 0.014 0.000 2.296 358 E HA 0.106 4.457 4.350 0.002 0.000 0.196 358 E C 0.038 176.638 176.600 -0.001 0.000 1.143 358 E CA 0.137 56.545 56.400 0.015 0.000 1.145 358 E CB 0.032 29.771 29.700 0.065 0.000 1.215 358 E HN 0.484 nan 8.360 nan 0.000 0.447 359 I N -1.471 119.092 120.570 -0.011 0.000 3.279 359 I HA 0.482 4.653 4.170 0.002 0.000 0.315 359 I C 0.312 176.424 176.117 -0.007 0.000 1.187 359 I CA -0.038 61.258 61.300 -0.006 0.000 0.953 359 I CB 1.757 39.756 38.000 -0.000 0.000 1.279 359 I HN 0.243 nan 8.210 nan 0.000 0.465 360 G N 1.699 110.499 108.800 0.001 0.000 2.569 360 G HA2 0.002 3.963 3.960 0.002 0.000 0.259 360 G HA3 0.002 3.963 3.960 0.002 0.000 0.259 360 G C 0.011 174.917 174.900 0.010 0.000 1.263 360 G CA -0.066 45.039 45.100 0.008 0.000 0.928 360 G HN 1.336 nan 8.290 nan 0.000 0.572 361 G N -0.234 108.580 108.800 0.024 0.000 3.107 361 G HA2 0.844 4.805 3.960 0.002 0.000 0.232 361 G HA3 0.844 4.805 3.960 0.002 0.000 0.232 361 G C -2.609 172.322 174.900 0.053 0.000 1.339 361 G CA -0.094 45.024 45.100 0.030 0.000 1.033 361 G HN 0.852 nan 8.290 nan 0.000 0.567 362 P HA 0.334 nan 4.420 nan 0.000 0.276 362 P C -0.745 176.678 177.300 0.205 0.000 1.230 362 P CA -0.169 63.004 63.100 0.120 0.000 0.776 362 P CB 1.481 33.243 31.700 0.105 0.000 0.888 363 R N 1.178 121.829 120.500 0.252 0.000 2.486 363 R HA 0.434 4.775 4.340 0.002 0.000 0.286 363 R C 0.527 177.013 176.300 0.310 0.000 0.999 363 R CA -0.495 55.796 56.100 0.318 0.000 0.993 363 R CB 1.035 31.562 30.300 0.378 0.000 1.084 363 R HN 0.523 nan 8.270 nan 0.000 0.487 364 S N 2.082 117.862 115.700 0.134 0.000 2.562 364 S HA 0.289 4.760 4.470 0.002 0.000 0.275 364 S C -1.087 173.449 174.600 -0.107 0.000 1.281 364 S CA -0.459 57.583 58.200 -0.264 0.000 1.045 364 S CB 0.724 63.604 63.200 -0.535 0.000 0.962 364 S HN 0.545 nan 8.310 nan 0.000 0.503 365 Y N 2.246 122.324 120.300 -0.370 0.000 2.499 365 Y HA 0.600 5.150 4.550 0.001 0.000 0.347 365 Y C -0.401 175.302 175.900 -0.329 0.000 0.987 365 Y CA -0.313 57.484 58.100 -0.505 0.000 1.044 365 Y CB 2.245 40.256 38.460 -0.748 0.000 1.245 365 Y HN 0.972 nan 8.280 nan 0.000 0.461 366 T N 4.254 118.187 114.554 -1.035 0.000 2.921 366 T HA 0.709 5.060 4.350 0.002 0.000 0.297 366 T C -1.295 172.965 174.700 -0.734 0.000 1.013 366 T CA -0.674 61.034 62.100 -0.654 0.000 0.990 366 T CB 1.111 69.746 68.868 -0.389 0.000 1.023 366 T HN 0.464 nan 8.240 nan 0.000 0.447 367 I N 0.613 120.960 120.570 -0.372 0.000 2.569 367 I HA 0.782 4.953 4.170 0.002 0.000 0.296 367 I C 0.429 176.437 176.117 -0.181 0.000 1.028 367 I CA -2.052 59.111 61.300 -0.228 0.000 1.082 367 I CB 1.132 39.089 38.000 -0.071 0.000 1.264 367 I HN 0.896 nan 8.210 nan 0.000 0.429 368 A N 4.188 126.904 122.820 -0.174 0.000 2.515 368 A HA 0.256 4.577 4.320 0.002 0.000 0.263 368 A C 1.361 178.841 177.584 -0.174 0.000 1.096 368 A CA -0.094 51.839 52.037 -0.173 0.000 0.769 368 A CB 0.019 18.902 19.000 -0.194 0.000 1.040 368 A HN 0.848 nan 8.150 nan 0.000 0.505 369 V N 3.175 122.996 119.914 -0.155 0.000 2.527 369 V HA -0.354 3.767 4.120 0.002 0.000 0.255 369 V C 2.674 178.670 176.094 -0.164 0.000 1.081 369 V CA 2.707 64.921 62.300 -0.144 0.000 1.092 369 V CB -0.920 30.856 31.823 -0.078 0.000 0.673 369 V HN 1.015 nan 8.190 nan 0.000 0.470 370 A N 0.098 122.749 122.820 -0.282 0.000 1.898 370 A HA -0.156 4.165 4.320 0.002 0.000 0.216 370 A C 2.290 179.744 177.584 -0.217 0.000 1.181 370 A CA 1.895 53.689 52.037 -0.405 0.000 0.620 370 A CB -0.634 17.897 19.000 -0.782 0.000 0.819 370 A HN 0.730 nan 8.150 nan 0.000 0.442 371 S N -0.894 114.688 115.700 -0.196 0.000 2.660 371 S HA 0.173 4.644 4.470 0.002 0.000 0.223 371 S C 1.110 175.631 174.600 -0.132 0.000 0.963 371 S CA 0.320 58.438 58.200 -0.137 0.000 0.932 371 S CB -0.265 62.865 63.200 -0.116 0.000 0.775 371 S HN 0.206 nan 8.310 nan 0.000 0.531 372 L N 2.217 123.338 121.223 -0.169 0.000 2.242 372 L HA 0.437 4.778 4.340 0.002 0.000 0.202 372 L C 1.940 178.569 176.870 -0.402 0.000 1.217 372 L CA 1.481 56.185 54.840 -0.227 0.000 1.714 372 L CB -1.520 40.410 42.059 -0.216 0.000 1.482 372 L HN 0.369 nan 8.230 nan 0.000 0.853 373 G N -0.557 107.851 108.800 -0.654 0.000 3.180 373 G HA2 0.095 4.055 3.960 0.002 0.000 0.252 373 G HA3 0.095 4.055 3.960 0.002 0.000 0.252 373 G C 0.721 174.966 174.900 -1.090 0.000 0.871 373 G CA 0.388 44.551 45.100 -1.561 0.000 1.979 373 G HN 0.494 nan 8.290 nan 0.000 0.624 374 K N -1.410 118.678 120.400 -0.521 0.000 3.472 374 K HA -0.236 4.085 4.320 0.002 0.000 0.315 374 K C 1.704 178.276 176.600 -0.045 0.000 1.320 374 K CA 1.296 57.504 56.287 -0.132 0.000 0.962 374 K CB -1.238 31.302 32.500 0.067 0.000 1.251 374 K HN 1.433 nan 8.250 nan 0.000 0.443 375 G N -1.847 106.909 108.800 -0.073 0.000 2.225 375 G HA2 -0.354 3.607 3.960 0.002 0.000 0.254 375 G HA3 -0.354 3.607 3.960 0.002 0.000 0.254 375 G C 0.751 175.761 174.900 0.185 0.000 0.988 375 G CA 0.360 45.528 45.100 0.114 0.000 0.625 375 G HN 0.205 nan 8.290 nan 0.000 0.527 376 V N 1.501 121.457 119.914 0.070 0.000 2.255 376 V HA 0.335 4.456 4.120 0.002 0.000 0.243 376 V C 2.302 178.452 176.094 0.093 0.000 1.038 376 V CA 2.015 64.376 62.300 0.101 0.000 1.008 376 V CB -0.747 31.188 31.823 0.186 0.000 0.645 376 V HN 1.315 nan 8.190 nan 0.000 0.449 377 A N -1.123 121.695 122.820 -0.003 0.000 2.484 377 A HA 0.275 4.596 4.320 0.002 0.000 0.268 377 A C 0.933 178.563 177.584 0.077 0.000 1.114 377 A CA 0.511 52.563 52.037 0.026 0.000 0.780 377 A CB -0.986 17.932 19.000 -0.136 0.000 1.061 377 A HN 1.088 nan 8.150 nan 0.000 0.505 378 c N 0.576 119.272 118.600 0.161 0.000 4.683 378 c HA -0.120 4.451 4.570 0.002 0.000 0.262 378 c C 0.353 174.659 174.090 0.360 0.000 1.190 378 c CA 0.483 56.959 56.329 0.245 0.000 1.864 378 c CB -2.836 39.806 42.510 0.220 0.000 1.491 378 c HN 1.058 nan 8.230 nan 0.000 0.695 379 N N 1.168 119.954 118.700 0.143 0.000 2.518 379 N HA 0.533 5.274 4.740 0.002 0.000 0.254 379 N C -0.560 174.872 175.510 -0.129 0.000 0.979 379 N CA -1.330 51.591 53.050 -0.215 0.000 0.930 379 N CB 1.548 39.676 38.487 -0.600 0.000 1.152 379 N HN 0.243 nan 8.380 nan 0.000 0.505 380 P HA 0.179 nan 4.420 nan 0.000 0.226 380 P C -0.535 176.844 177.300 0.131 0.000 1.161 380 P CA 0.385 63.456 63.100 -0.049 0.000 0.804 380 P CB 0.540 32.214 31.700 -0.044 0.000 0.829 381 A N -1.168 121.736 122.820 0.140 0.000 2.479 381 A HA 0.655 4.976 4.320 0.002 0.000 0.296 381 A C -1.319 176.434 177.584 0.282 0.000 1.121 381 A CA -0.501 51.666 52.037 0.217 0.000 0.743 381 A CB 1.264 20.364 19.000 0.167 0.000 1.323 381 A HN 0.152 nan 8.150 nan 0.000 0.415 382 c N 0.299 119.125 118.600 0.377 0.000 2.535 382 c HA 0.688 5.259 4.570 0.002 0.000 0.319 382 c C -1.423 172.918 174.090 0.418 0.000 1.171 382 c CA -0.577 55.962 56.329 0.349 0.000 1.394 382 c CB 0.355 43.028 42.510 0.272 0.000 1.990 382 c HN 0.732 nan 8.230 nan 0.000 0.466 383 F N 6.457 126.520 119.950 0.188 0.000 2.382 383 F HA 0.674 5.202 4.527 0.002 0.000 0.361 383 F C -0.241 175.562 175.800 0.006 0.000 1.109 383 F CA -0.462 57.527 58.000 -0.018 0.000 1.031 383 F CB 0.557 39.421 39.000 -0.227 0.000 1.234 383 F HN 0.437 nan 8.300 nan 0.000 0.445 384 I N 4.787 125.253 120.570 -0.174 0.000 2.321 384 I HA 0.288 4.459 4.170 0.002 0.000 0.291 384 I C 0.010 176.097 176.117 -0.050 0.000 0.998 384 I CA -0.572 60.687 61.300 -0.068 0.000 1.227 384 I CB 1.597 39.485 38.000 -0.188 0.000 1.368 384 I HN 0.498 nan 8.210 nan 0.000 0.466 385 T N 3.185 117.785 114.554 0.077 0.000 2.779 385 T HA 0.285 4.636 4.350 0.002 0.000 0.280 385 T C -0.395 174.337 174.700 0.053 0.000 0.987 385 T CA -0.748 61.404 62.100 0.087 0.000 0.966 385 T CB 1.511 70.473 68.868 0.157 0.000 0.933 385 T HN 0.647 nan 8.240 nan 0.000 0.442 386 Q N 2.762 122.586 119.800 0.039 0.000 2.311 386 Q HA 0.173 4.514 4.340 0.002 0.000 0.272 386 Q C -0.061 175.969 176.000 0.050 0.000 1.012 386 Q CA -0.537 55.289 55.803 0.038 0.000 0.891 386 Q CB 0.697 29.459 28.738 0.041 0.000 1.201 386 Q HN 0.729 nan 8.270 nan 0.000 0.391 387 L N 4.613 125.864 121.223 0.046 0.000 2.470 387 L HA 0.331 4.672 4.340 0.002 0.000 0.219 387 L C -0.713 176.189 176.870 0.052 0.000 1.071 387 L CA 0.603 55.473 54.840 0.049 0.000 0.850 387 L CB 0.603 42.688 42.059 0.042 0.000 1.040 387 L HN 0.557 nan 8.230 nan 0.000 0.475 388 L N -0.647 120.603 121.223 0.045 0.000 2.611 388 L HA 0.374 4.715 4.340 0.002 0.000 0.260 388 L C -2.192 174.696 176.870 0.031 0.000 0.924 388 L CA -0.627 54.235 54.840 0.037 0.000 0.901 388 L CB 1.966 44.019 42.059 -0.010 0.000 1.369 388 L HN -0.253 nan 8.230 nan 0.000 0.415 389 P HA 0.068 nan 4.420 nan 0.000 0.253 389 P C 0.639 178.057 177.300 0.196 0.000 1.260 389 P CA 0.625 63.798 63.100 0.122 0.000 0.800 389 P CB 0.554 32.355 31.700 0.169 0.000 1.162 390 V N -4.872 115.118 119.914 0.126 0.000 3.159 390 V HA 0.407 4.528 4.120 0.002 0.000 0.234 390 V C 0.791 176.937 176.094 0.086 0.000 1.313 390 V CA -0.051 62.317 62.300 0.114 0.000 1.271 390 V CB -0.636 31.243 31.823 0.093 0.000 1.053 390 V HN -0.080 nan 8.190 nan 0.000 0.476 391 K N 1.166 121.610 120.400 0.072 0.000 3.414 391 K HA -0.133 4.188 4.320 0.002 0.000 0.277 391 K C -0.195 176.440 176.600 0.059 0.000 1.160 391 K CA 0.330 56.655 56.287 0.063 0.000 0.832 391 K CB -0.755 31.781 32.500 0.060 0.000 1.326 391 K HN 0.737 nan 8.250 nan 0.000 0.466 392 R N 2.185 122.720 120.500 0.059 0.000 2.460 392 R HA 0.260 4.601 4.340 0.002 0.000 0.303 392 R C -0.436 175.901 176.300 0.061 0.000 0.968 392 R CA -0.670 55.463 56.100 0.056 0.000 0.889 392 R CB 0.867 31.198 30.300 0.051 0.000 1.123 392 R HN 0.096 nan 8.270 nan 0.000 0.455 393 K N 4.357 124.802 120.400 0.074 0.000 2.412 393 K HA 0.120 4.441 4.320 0.002 0.000 0.284 393 K C -0.057 176.550 176.600 0.012 0.000 1.046 393 K CA 0.077 56.416 56.287 0.086 0.000 0.999 393 K CB 0.562 33.162 32.500 0.168 0.000 0.941 393 K HN 0.383 nan 8.250 nan 0.000 0.474 394 L N 1.459 122.660 121.223 -0.037 0.000 2.469 394 L HA 0.332 4.673 4.340 0.002 0.000 0.253 394 L C 1.471 178.183 176.870 -0.263 0.000 1.143 394 L CA -0.687 54.132 54.840 -0.035 0.000 0.804 394 L CB 0.339 42.469 42.059 0.119 0.000 1.214 394 L HN 0.708 nan 8.230 nan 0.000 0.476 395 G N -0.609 108.027 108.800 -0.273 0.000 2.529 395 G HA2 0.184 4.145 3.960 0.002 0.000 0.234 395 G HA3 0.184 4.145 3.960 0.002 0.000 0.234 395 G C -0.694 173.710 174.900 -0.826 0.000 1.527 395 G CA -0.355 44.442 45.100 -0.505 0.000 1.062 395 G HN 0.225 nan 8.290 nan 0.000 0.558 396 F N -1.043 118.648 119.950 -0.431 0.000 2.379 396 F HA 0.530 5.058 4.527 0.001 0.000 0.332 396 F C -0.553 175.083 175.800 -0.274 0.000 1.096 396 F CA -0.073 57.801 58.000 -0.210 0.000 1.105 396 F CB 1.534 40.535 39.000 0.001 0.000 1.189 396 F HN 0.121 nan 8.300 nan 0.000 0.515 397 Y N 1.099 121.488 120.300 0.149 0.000 2.364 397 Y HA 0.359 4.910 4.550 0.001 0.000 0.340 397 Y C 0.061 176.040 175.900 0.132 0.000 0.975 397 Y CA -1.158 56.994 58.100 0.087 0.000 1.089 397 Y CB 1.316 39.788 38.460 0.020 0.000 1.192 397 Y HN 0.465 nan 8.280 nan 0.000 0.454 398 E N 1.440 121.757 120.200 0.195 0.000 2.404 398 E HA -0.055 4.296 4.350 0.002 0.000 0.261 398 E C 0.263 177.011 176.600 0.247 0.000 1.074 398 E CA 0.073 56.586 56.400 0.187 0.000 0.917 398 E CB 0.340 30.109 29.700 0.115 0.000 0.965 398 E HN 0.691 nan 8.360 nan 0.000 0.433 399 W N 2.388 123.723 121.300 0.058 0.000 2.304 399 W HA -0.284 4.377 4.660 0.002 0.000 0.315 399 W C 1.975 178.509 176.519 0.026 0.000 1.233 399 W CA 2.755 60.121 57.345 0.036 0.000 1.261 399 W CB -0.914 28.559 29.460 0.022 0.000 1.150 399 W HN 0.701 nan 8.180 nan 0.000 0.494 400 T N -1.883 112.714 114.554 0.073 0.000 2.977 400 T HA -0.059 4.292 4.350 0.002 0.000 0.271 400 T C 1.231 175.892 174.700 -0.066 0.000 1.105 400 T CA 0.899 62.956 62.100 -0.071 0.000 1.116 400 T CB -0.659 68.211 68.868 0.003 0.000 0.878 400 T HN -0.037 nan 8.240 nan 0.000 0.509 401 S N 1.252 116.962 115.700 0.016 0.000 2.579 401 S HA 0.337 4.807 4.470 0.002 0.000 0.275 401 S C 0.417 175.041 174.600 0.040 0.000 1.345 401 S CA -0.587 57.651 58.200 0.065 0.000 1.031 401 S CB 0.530 63.849 63.200 0.197 0.000 0.892 401 S HN 0.401 nan 8.310 nan 0.000 0.529 402 R N 0.869 121.401 120.500 0.053 0.000 2.474 402 R HA 0.435 4.776 4.340 0.002 0.000 0.295 402 R C -1.047 175.296 176.300 0.072 0.000 0.980 402 R CA -0.892 55.209 56.100 0.001 0.000 0.934 402 R CB 0.950 31.219 30.300 -0.053 0.000 1.101 402 R HN 0.309 nan 8.270 nan 0.000 0.469 403 L N 3.518 124.704 121.223 -0.062 0.000 2.255 403 L HA 0.339 4.680 4.340 0.002 0.000 0.289 403 L C -0.199 176.619 176.870 -0.086 0.000 1.046 403 L CA -0.128 54.653 54.840 -0.100 0.000 0.816 403 L CB 0.809 42.700 42.059 -0.279 0.000 1.197 403 L HN 0.473 nan 8.230 nan 0.000 0.427 404 R N 3.311 123.797 120.500 -0.024 0.000 2.349 404 R HA 0.718 5.059 4.340 0.002 0.000 0.299 404 R C -0.860 175.415 176.300 -0.041 0.000 1.027 404 R CA -0.140 55.916 56.100 -0.073 0.000 0.958 404 R CB 1.096 31.360 30.300 -0.060 0.000 1.047 404 R HN 0.741 nan 8.270 nan 0.000 0.468 405 S N 1.378 117.027 115.700 -0.084 0.000 2.570 405 S HA 0.369 4.840 4.470 0.002 0.000 0.270 405 S C -1.817 172.723 174.600 -0.099 0.000 1.149 405 S CA -0.761 57.428 58.200 -0.017 0.000 0.837 405 S CB 1.037 64.252 63.200 0.025 0.000 1.124 405 S HN 0.687 nan 8.310 nan 0.000 0.465 406 H N 2.487 121.601 119.070 0.072 0.000 2.595 406 H HA 0.466 5.023 4.556 0.001 0.000 0.313 406 H C -0.835 174.556 175.328 0.105 0.000 1.023 406 H CA -0.203 55.902 56.048 0.095 0.000 1.218 406 H CB 0.726 30.533 29.762 0.075 0.000 1.403 406 H HN 0.360 nan 8.280 nan 0.000 0.477 407 I N 2.711 123.427 120.570 0.244 0.000 2.437 407 I HA 0.101 4.272 4.170 0.002 0.000 0.298 407 I C 0.618 176.828 176.117 0.155 0.000 0.984 407 I CA -0.730 60.683 61.300 0.188 0.000 1.214 407 I CB 0.808 38.921 38.000 0.189 0.000 1.365 407 I HN 0.385 nan 8.210 nan 0.000 0.469 408 N N 5.421 124.171 118.700 0.083 0.000 2.529 408 N HA 0.296 5.037 4.740 0.002 0.000 0.278 408 N C -2.516 172.987 175.510 -0.013 0.000 1.146 408 N CA -1.792 51.280 53.050 0.036 0.000 0.980 408 N CB 0.391 38.886 38.487 0.015 0.000 1.124 408 N HN 0.245 nan 8.380 nan 0.000 0.458 409 P HA -0.026 nan 4.420 nan 0.000 0.263 409 P C 0.549 177.754 177.300 -0.159 0.000 1.195 409 P CA 0.686 63.742 63.100 -0.073 0.000 0.762 409 P CB 0.182 31.846 31.700 -0.060 0.000 0.799 410 T N -0.763 113.680 114.554 -0.185 0.000 8.709 410 T HA -0.225 4.126 4.350 0.002 0.000 0.337 410 T C 0.814 175.268 174.700 -0.411 0.000 1.937 410 T CA 1.193 63.036 62.100 -0.428 0.000 2.878 410 T CB -2.318 65.943 68.868 -1.012 0.000 2.537 410 T HN 0.642 nan 8.240 nan 0.000 1.198 411 G N -0.086 108.578 108.800 -0.226 0.000 2.588 411 G HA2 0.556 4.517 3.960 0.002 0.000 0.278 411 G HA3 0.556 4.517 3.960 0.002 0.000 0.278 411 G C -0.431 174.418 174.900 -0.085 0.000 1.307 411 G CA 0.192 45.185 45.100 -0.178 0.000 1.016 411 G HN 0.759 nan 8.290 nan 0.000 0.503 412 T N -0.988 113.513 114.554 -0.088 0.000 2.933 412 T HA 0.440 4.791 4.350 0.002 0.000 0.305 412 T C -0.696 173.982 174.700 -0.037 0.000 1.092 412 T CA -0.342 61.728 62.100 -0.050 0.000 1.008 412 T CB 1.978 70.800 68.868 -0.078 0.000 1.102 412 T HN 0.352 nan 8.240 nan 0.000 0.469 413 V N 3.390 123.301 119.914 -0.005 0.000 2.394 413 V HA 0.512 4.633 4.120 0.002 0.000 0.282 413 V C -0.507 175.586 176.094 -0.001 0.000 1.031 413 V CA -0.752 61.551 62.300 0.006 0.000 0.881 413 V CB 1.261 33.100 31.823 0.027 0.000 0.982 413 V HN 0.659 nan 8.190 nan 0.000 0.451 414 L N 7.091 128.314 121.223 -0.000 0.000 2.287 414 L HA 0.655 4.996 4.340 0.002 0.000 0.287 414 L C -0.661 176.219 176.870 0.018 0.000 1.022 414 L CA 0.172 55.016 54.840 0.007 0.000 0.814 414 L CB 1.112 43.173 42.059 0.002 0.000 1.217 414 L HN 0.531 nan 8.230 nan 0.000 0.420 415 L N 4.342 125.576 121.223 0.019 0.000 2.342 415 L HA 0.619 4.960 4.340 0.002 0.000 0.271 415 L C -0.501 176.394 176.870 0.042 0.000 1.008 415 L CA -0.587 54.264 54.840 0.018 0.000 0.818 415 L CB 1.909 43.958 42.059 -0.017 0.000 1.296 415 L HN 0.610 nan 8.230 nan 0.000 0.427 416 Q N 2.191 122.024 119.800 0.055 0.000 2.337 416 Q HA 0.653 4.994 4.340 0.002 0.000 0.266 416 Q C -1.850 174.209 176.000 0.098 0.000 1.023 416 Q CA -0.756 55.098 55.803 0.086 0.000 0.829 416 Q CB 1.926 30.715 28.738 0.085 0.000 1.306 416 Q HN 0.471 nan 8.270 nan 0.000 0.449 417 L N 3.271 124.574 121.223 0.133 0.000 2.341 417 L HA 0.506 4.847 4.340 0.002 0.000 0.278 417 L C -0.498 176.490 176.870 0.198 0.000 1.005 417 L CA -0.354 54.573 54.840 0.145 0.000 0.818 417 L CB 1.830 43.956 42.059 0.112 0.000 1.259 417 L HN 0.636 nan 8.230 nan 0.000 0.418 418 E N 1.603 121.934 120.200 0.219 0.000 2.277 418 E HA 0.416 4.767 4.350 0.002 0.000 0.266 418 E C -0.994 175.754 176.600 0.246 0.000 0.901 418 E CA -0.880 55.651 56.400 0.217 0.000 0.782 418 E CB 2.028 31.840 29.700 0.186 0.000 1.228 418 E HN 0.315 nan 8.360 nan 0.000 0.424 419 N N 0.195 119.021 118.700 0.209 0.000 2.498 419 N HA 0.151 4.892 4.740 0.002 0.000 0.287 419 N C 0.713 176.345 175.510 0.204 0.000 1.097 419 N CA 0.020 53.192 53.050 0.203 0.000 0.973 419 N CB 1.368 39.950 38.487 0.158 0.000 1.153 419 N HN 0.242 nan 8.380 nan 0.000 0.472 420 T N 2.563 117.246 114.554 0.215 0.000 2.720 420 T HA -0.138 4.213 4.350 0.002 0.000 0.268 420 T C 1.196 175.950 174.700 0.090 0.000 1.037 420 T CA 0.955 63.149 62.100 0.157 0.000 1.144 420 T CB -0.300 68.628 68.868 0.100 0.000 0.864 420 T HN 0.715 nan 8.240 nan 0.000 0.444 421 M N 0.000 119.645 119.600 0.075 0.000 2.572 421 M HA 0.000 4.481 4.480 0.002 0.000 0.227 421 M CA 0.000 55.328 55.300 0.047 0.000 0.988 421 M CB 0.000 32.633 32.600 0.055 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411