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 3ov6_1_A DATA FIRST_RESID 6 DATA SEQUENCE EHVSFHVIQI FSFVNQSWAR GQGSGWLDEL QTHGWDSESG TIIFLHQWSK DATA SEQUENCE GQFSNEELSD LELLFRFYLF GLTREIQDHA SXXXSKYPFE VQVKAGcELH DATA SEQUENCE SGGSPEGFFQ VAFNGLDLLS FQQTTWVPSP GCGSLAQSVC HLLNHQYEGV DATA SEQUENCE TETVYNLIRS TcPRFLLGLL DAGKMYVHRQ VKPEAWLSSG PSPGPGRLQL DATA SEQUENCE VcHVSGFYPK PVWVMWMRGE QEQQGTQLGD ILPNAQGTWY LRATLDVADG DATA SEQUENCE EAAGLScRVK HSSLEGQDII LYWHHXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXPIQRTP DATA SEQUENCE KIQVYSRHPA ENGKSNFLNc YVSGFHPSDI EVDLLKNGER IEKVEHSDLS DATA SEQUENCE FSKDWSFYLL YYTEFTPTEK DEYAcRVNHV TLSQPKIVKW DRDMGGGG 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.722 176.600 0.203 0.000 1.382 6 E CA 0.000 56.473 56.400 0.121 0.000 0.976 6 E CB 0.000 29.686 29.700 -0.024 0.000 0.812 7 H N -0.963 118.099 119.070 -0.012 0.000 3.017 7 H HA 0.654 5.225 4.556 0.026 0.000 0.346 7 H C -1.261 174.047 175.328 -0.034 0.000 1.286 7 H CA -0.775 55.204 56.048 -0.114 0.000 1.120 7 H CB 0.509 30.002 29.762 -0.449 0.000 1.860 7 H HN 0.230 nan 8.280 nan 0.000 0.542 8 V N 1.357 121.298 119.914 0.044 0.000 2.850 8 V HA 0.544 4.678 4.120 0.024 0.000 0.315 8 V C 0.231 176.446 176.094 0.201 0.000 1.064 8 V CA -0.449 61.899 62.300 0.079 0.000 0.979 8 V CB 1.635 33.517 31.823 0.099 0.000 1.039 8 V HN 1.005 nan 8.190 nan 0.000 0.452 9 S N 1.758 117.607 115.700 0.249 0.000 2.549 9 S HA 0.800 5.285 4.470 0.024 0.000 0.280 9 S C -1.227 173.567 174.600 0.323 0.000 1.109 9 S CA -0.583 57.822 58.200 0.342 0.000 0.905 9 S CB 2.048 65.525 63.200 0.461 0.000 1.081 9 S HN 0.572 nan 8.310 nan 0.000 0.477 10 F N 3.460 123.513 119.950 0.173 0.000 2.518 10 F HA 0.599 5.140 4.527 0.023 0.000 0.323 10 F C -0.366 175.497 175.800 0.105 0.000 1.129 10 F CA -0.320 57.733 58.000 0.089 0.000 0.920 10 F CB 1.450 40.547 39.000 0.163 0.000 1.160 10 F HN 0.902 nan 8.300 nan 0.000 0.440 11 H N 3.800 122.586 119.070 -0.474 0.000 2.895 11 H HA 0.710 5.281 4.556 0.025 0.000 0.373 11 H C -1.807 173.197 175.328 -0.539 0.000 1.174 11 H CA -1.219 54.611 56.048 -0.364 0.000 1.144 11 H CB 1.396 31.201 29.762 0.070 0.000 1.793 11 H HN 0.384 nan 8.280 nan 0.000 0.551 12 V N 3.013 122.802 119.914 -0.208 0.000 2.427 12 V HA 0.294 4.429 4.120 0.024 0.000 0.286 12 V C 0.307 176.341 176.094 -0.100 0.000 1.034 12 V CA -0.587 61.591 62.300 -0.205 0.000 0.893 12 V CB 1.390 33.042 31.823 -0.285 0.000 0.982 12 V HN 0.574 nan 8.190 nan 0.000 0.452 13 I N 4.581 125.108 120.570 -0.072 0.000 2.404 13 I HA 0.479 4.663 4.170 0.024 0.000 0.293 13 I C -0.373 175.698 176.117 -0.078 0.000 0.992 13 I CA -0.411 60.839 61.300 -0.084 0.000 1.149 13 I CB 1.937 39.772 38.000 -0.275 0.000 1.315 13 I HN 0.613 nan 8.210 nan 0.000 0.446 14 Q N 6.069 125.884 119.800 0.025 0.000 2.356 14 Q HA 0.651 5.006 4.340 0.024 0.000 0.270 14 Q C -1.521 174.439 176.000 -0.066 0.000 1.058 14 Q CA -0.643 55.058 55.803 -0.170 0.000 0.802 14 Q CB 3.209 31.823 28.738 -0.207 0.000 1.303 14 Q HN 0.417 nan 8.270 nan 0.000 0.444 15 I N 2.289 122.674 120.570 -0.307 0.000 2.447 15 I HA 0.421 4.605 4.170 0.024 0.000 0.287 15 I C -1.243 174.602 176.117 -0.453 0.000 1.023 15 I CA -0.222 60.995 61.300 -0.138 0.000 1.083 15 I CB 1.022 39.044 38.000 0.036 0.000 1.245 15 I HN 0.436 nan 8.210 nan 0.000 0.434 16 F N 3.526 123.474 119.950 -0.004 0.000 2.482 16 F HA 0.596 5.138 4.527 0.025 0.000 0.331 16 F C 0.284 175.913 175.800 -0.286 0.000 1.115 16 F CA -0.605 57.280 58.000 -0.192 0.000 0.955 16 F CB 2.000 40.944 39.000 -0.094 0.000 1.136 16 F HN 0.237 nan 8.300 nan 0.000 0.452 17 S N 3.689 119.207 115.700 -0.302 0.000 2.667 17 S HA 0.463 4.947 4.470 0.024 0.000 0.304 17 S C -1.011 173.339 174.600 -0.417 0.000 1.135 17 S CA -0.500 57.535 58.200 -0.276 0.000 1.125 17 S CB -0.079 63.036 63.200 -0.143 0.000 0.996 17 S HN 0.353 nan 8.310 nan 0.000 0.474 18 F N 2.217 121.944 119.950 -0.372 0.000 2.334 18 F HA 0.236 4.778 4.527 0.025 0.000 0.365 18 F C 1.366 176.985 175.800 -0.302 0.000 1.124 18 F CA -0.697 57.053 58.000 -0.415 0.000 1.166 18 F CB 0.552 38.971 39.000 -0.969 0.000 1.355 18 F HN 0.332 nan 8.300 nan 0.000 0.532 19 V N 1.657 121.643 119.914 0.119 0.000 2.548 19 V HA -0.118 4.016 4.120 0.024 0.000 0.249 19 V C 0.585 176.841 176.094 0.270 0.000 1.055 19 V CA 1.413 63.776 62.300 0.106 0.000 1.065 19 V CB -1.158 30.676 31.823 0.018 0.000 0.681 19 V HN 0.848 nan 8.190 nan 0.000 0.462 20 N N -2.381 116.574 118.700 0.425 0.000 3.517 20 N HA 0.123 4.878 4.740 0.024 0.000 0.329 20 N C 0.436 176.345 175.510 0.666 0.000 1.569 20 N CA -0.630 52.880 53.050 0.766 0.000 0.852 20 N CB 0.395 39.176 38.487 0.490 0.000 1.955 20 N HN -0.151 nan 8.380 nan 0.000 0.555 21 Q N -0.401 119.735 119.800 0.560 0.000 2.050 21 Q HA 0.014 4.368 4.340 0.024 0.000 0.202 21 Q C 0.520 176.691 176.000 0.285 0.000 0.980 21 Q CA 1.879 57.897 55.803 0.358 0.000 0.840 21 Q CB -0.301 28.552 28.738 0.192 0.000 0.898 21 Q HN 0.603 nan 8.270 nan 0.000 0.424 22 S N -1.035 114.816 115.700 0.251 0.000 2.577 22 S HA 0.084 4.568 4.470 0.024 0.000 0.219 22 S C -0.824 173.913 174.600 0.230 0.000 0.962 22 S CA -0.327 57.992 58.200 0.199 0.000 0.921 22 S CB 0.086 63.375 63.200 0.148 0.000 0.789 22 S HN 0.289 nan 8.310 nan 0.000 0.497 23 W N 1.419 122.798 121.300 0.131 0.000 2.554 23 W HA 0.650 5.324 4.660 0.024 0.000 0.324 23 W C -0.968 175.572 176.519 0.035 0.000 1.018 23 W CA -0.361 57.028 57.345 0.074 0.000 1.243 23 W CB 1.194 30.689 29.460 0.058 0.000 1.345 23 W HN -0.025 nan 8.180 nan 0.000 0.441 24 A N 5.215 127.970 122.820 -0.109 0.000 2.491 24 A HA 0.614 4.949 4.320 0.024 0.000 0.293 24 A C -1.039 176.321 177.584 -0.373 0.000 1.047 24 A CA -0.885 51.020 52.037 -0.221 0.000 0.735 24 A CB 1.256 19.974 19.000 -0.471 0.000 1.281 24 A HN 0.655 nan 8.150 nan 0.000 0.398 25 R N 0.376 120.736 120.500 -0.235 0.000 2.615 25 R HA 0.599 4.954 4.340 0.024 0.000 0.270 25 R C 0.341 176.514 176.300 -0.211 0.000 1.081 25 R CA 0.475 56.456 56.100 -0.197 0.000 1.154 25 R CB 1.429 31.690 30.300 -0.065 0.000 1.063 25 R HN 0.956 nan 8.270 nan 0.000 0.519 26 G N 0.995 109.702 108.800 -0.155 0.000 2.731 26 G HA2 0.404 4.379 3.960 0.024 0.000 0.298 26 G HA3 0.404 4.379 3.960 0.024 0.000 0.298 26 G C -1.703 173.096 174.900 -0.169 0.000 1.424 26 G CA -0.614 44.377 45.100 -0.182 0.000 1.029 26 G HN 0.539 nan 8.290 nan 0.000 0.518 27 Q N 0.493 120.129 119.800 -0.275 0.000 2.377 27 Q HA 0.788 5.143 4.340 0.024 0.000 0.279 27 Q C -0.681 175.188 176.000 -0.218 0.000 1.049 27 Q CA -1.350 54.362 55.803 -0.152 0.000 0.825 27 Q CB 2.634 31.329 28.738 -0.072 0.000 1.401 27 Q HN 1.064 nan 8.270 nan 0.000 0.404 28 G N 0.390 109.120 108.800 -0.116 0.000 2.696 28 G HA2 0.721 4.696 3.960 0.024 0.000 0.295 28 G HA3 0.721 4.696 3.960 0.024 0.000 0.295 28 G C -1.200 173.692 174.900 -0.012 0.000 1.398 28 G CA -0.291 44.718 45.100 -0.152 0.000 0.920 28 G HN 0.952 nan 8.290 nan 0.000 0.492 29 S N -1.024 114.677 115.700 0.002 0.000 2.615 29 S HA 0.871 5.356 4.470 0.024 0.000 0.269 29 S C -0.389 174.241 174.600 0.050 0.000 1.161 29 S CA -0.396 57.833 58.200 0.049 0.000 0.817 29 S CB 1.675 64.945 63.200 0.117 0.000 1.131 29 S HN 1.736 nan 8.310 nan 0.000 0.467 30 G N -0.270 108.509 108.800 -0.034 0.000 2.470 30 G HA2 0.623 4.598 3.960 0.024 0.000 0.320 30 G HA3 0.623 4.598 3.960 0.024 0.000 0.320 30 G C -1.940 172.874 174.900 -0.143 0.000 1.245 30 G CA -0.728 44.353 45.100 -0.032 0.000 0.935 30 G HN 0.527 nan 8.290 nan 0.000 0.476 31 W N 1.721 122.798 121.300 -0.371 0.000 2.781 31 W HA 0.495 5.169 4.660 0.024 0.000 0.333 31 W C -0.699 175.722 176.519 -0.163 0.000 1.047 31 W CA -0.877 56.348 57.345 -0.199 0.000 1.236 31 W CB 2.284 31.617 29.460 -0.210 0.000 1.394 31 W HN 0.403 nan 8.180 nan 0.000 0.466 32 L N 5.804 127.252 121.223 0.375 0.000 2.297 32 L HA 0.440 4.794 4.340 0.024 0.000 0.277 32 L C 0.237 177.293 176.870 0.311 0.000 1.040 32 L CA 0.333 55.421 54.840 0.414 0.000 0.867 32 L CB -0.731 41.605 42.059 0.462 0.000 1.244 32 L HN 0.556 nan 8.230 nan 0.000 0.433 33 D N 2.125 122.668 120.400 0.237 0.000 3.301 33 D HA -0.299 4.356 4.640 0.024 0.000 0.217 33 D C 0.603 177.124 176.300 0.367 0.000 1.548 33 D CA 1.510 55.672 54.000 0.269 0.000 1.118 33 D CB 0.113 41.080 40.800 0.278 0.000 0.684 33 D HN 0.703 nan 8.370 nan 0.000 0.821 34 E N -0.582 119.873 120.200 0.425 0.000 2.516 34 E HA 0.066 4.431 4.350 0.024 0.000 0.199 34 E C 0.385 177.366 176.600 0.636 0.000 1.069 34 E CA 0.003 56.723 56.400 0.533 0.000 0.876 34 E CB 0.057 30.053 29.700 0.494 0.000 0.843 34 E HN 0.155 nan 8.360 nan 0.000 0.530 35 L N 1.608 123.099 121.223 0.447 0.000 2.278 35 L HA 0.111 4.466 4.340 0.024 0.000 0.287 35 L C -0.209 176.723 176.870 0.103 0.000 1.072 35 L CA -0.011 54.979 54.840 0.250 0.000 0.819 35 L CB 0.987 43.136 42.059 0.150 0.000 1.176 35 L HN -0.080 nan 8.230 nan 0.000 0.435 36 Q N 2.349 121.914 119.800 -0.392 0.000 2.289 36 Q HA 0.130 4.485 4.340 0.024 0.000 0.273 36 Q C 0.282 176.060 176.000 -0.369 0.000 1.029 36 Q CA 0.739 55.954 55.803 -0.980 0.000 0.896 36 Q CB 0.809 28.671 28.738 -1.458 0.000 1.182 36 Q HN 0.880 nan 8.270 nan 0.000 0.385 37 T N -0.396 113.965 114.554 -0.322 0.000 2.958 37 T HA 0.207 4.571 4.350 0.024 0.000 0.256 37 T C -0.215 174.018 174.700 -0.778 0.000 0.983 37 T CA -0.086 61.793 62.100 -0.369 0.000 0.924 37 T CB 0.225 69.079 68.868 -0.024 0.000 1.136 37 T HN 0.634 nan 8.240 nan 0.000 0.506 38 H N -0.393 118.500 119.070 -0.296 0.000 2.946 38 H HA 0.769 5.341 4.556 0.026 0.000 0.365 38 H C -0.008 175.148 175.328 -0.287 0.000 1.197 38 H CA -0.536 55.342 56.048 -0.283 0.000 1.131 38 H CB 1.880 31.552 29.762 -0.151 0.000 1.849 38 H HN 0.406 nan 8.280 nan 0.000 0.555 39 G N -0.354 108.377 108.800 -0.116 0.000 2.658 39 G HA2 0.369 4.344 3.960 0.024 0.000 0.292 39 G HA3 0.369 4.344 3.960 0.024 0.000 0.292 39 G C -1.842 173.077 174.900 0.032 0.000 1.320 39 G CA -0.823 44.230 45.100 -0.079 0.000 0.933 39 G HN 0.503 nan 8.290 nan 0.000 0.476 40 W N 1.864 123.082 121.300 -0.135 0.000 2.683 40 W HA 0.425 5.099 4.660 0.024 0.000 0.329 40 W C -1.554 174.913 176.519 -0.086 0.000 1.037 40 W CA -0.674 56.604 57.345 -0.112 0.000 1.232 40 W CB 2.169 31.565 29.460 -0.106 0.000 1.390 40 W HN 0.452 nan 8.180 nan 0.000 0.465 41 D N 3.444 123.432 120.400 -0.686 0.000 2.374 41 D HA 0.025 4.680 4.640 0.024 0.000 0.240 41 D C 1.180 177.137 176.300 -0.572 0.000 1.229 41 D CA 0.485 54.183 54.000 -0.502 0.000 0.895 41 D CB 1.484 42.036 40.800 -0.413 0.000 1.046 41 D HN 0.364 nan 8.370 nan 0.000 0.498 42 S N 3.402 119.024 115.700 -0.130 0.000 2.370 42 S HA -0.195 4.289 4.470 0.024 0.000 0.226 42 S C 1.435 176.065 174.600 0.050 0.000 1.033 42 S CA 1.336 59.614 58.200 0.130 0.000 1.011 42 S CB 0.036 63.319 63.200 0.137 0.000 0.852 42 S HN 0.594 nan 8.310 nan 0.000 0.457 43 E N 0.162 120.339 120.200 -0.040 0.000 2.274 43 E HA -0.030 4.335 4.350 0.024 0.000 0.194 43 E C 1.939 178.514 176.600 -0.042 0.000 0.996 43 E CA 1.178 57.561 56.400 -0.029 0.000 0.840 43 E CB 0.025 29.699 29.700 -0.043 0.000 0.772 43 E HN 0.709 nan 8.360 nan 0.000 0.491 44 S N -1.398 114.234 115.700 -0.113 0.000 2.526 44 S HA 0.270 4.754 4.470 0.024 0.000 0.220 44 S C 1.450 175.960 174.600 -0.150 0.000 1.017 44 S CA 0.099 58.227 58.200 -0.120 0.000 0.930 44 S CB 0.993 64.103 63.200 -0.150 0.000 0.856 44 S HN 0.264 nan 8.310 nan 0.000 0.497 45 G N 2.188 110.847 108.800 -0.235 0.000 2.198 45 G HA2 -0.216 3.759 3.960 0.024 0.000 0.257 45 G HA3 -0.216 3.759 3.960 0.024 0.000 0.257 45 G C 0.069 174.538 174.900 -0.718 0.000 1.042 45 G CA 0.407 45.377 45.100 -0.216 0.000 0.791 45 G HN 1.154 nan 8.290 nan 0.000 0.502 46 T N -2.090 111.857 114.554 -1.011 0.000 2.932 46 T HA 0.764 5.129 4.350 0.024 0.000 0.289 46 T C 0.288 174.447 174.700 -0.902 0.000 1.039 46 T CA -1.051 60.603 62.100 -0.743 0.000 1.024 46 T CB 2.371 71.031 68.868 -0.347 0.000 1.090 46 T HN 0.434 nan 8.240 nan 0.000 0.496 47 I N 1.510 121.827 120.570 -0.422 0.000 2.428 47 I HA 0.330 4.515 4.170 0.024 0.000 0.289 47 I C -0.022 175.860 176.117 -0.392 0.000 1.019 47 I CA -0.832 60.270 61.300 -0.330 0.000 1.351 47 I CB 0.872 38.644 38.000 -0.380 0.000 1.412 47 I HN 0.499 nan 8.210 nan 0.000 0.513 48 I N 6.302 126.667 120.570 -0.342 0.000 2.304 48 I HA 0.224 4.408 4.170 0.024 0.000 0.291 48 I C -0.710 175.178 176.117 -0.381 0.000 1.018 48 I CA -0.329 60.808 61.300 -0.272 0.000 1.260 48 I CB 0.351 38.222 38.000 -0.215 0.000 1.390 48 I HN 0.332 nan 8.210 nan 0.000 0.475 49 F N 6.302 126.153 119.950 -0.165 0.000 2.404 49 F HA 0.279 4.820 4.527 0.023 0.000 0.359 49 F C 1.182 176.691 175.800 -0.485 0.000 1.134 49 F CA -0.473 57.346 58.000 -0.303 0.000 1.160 49 F CB 0.604 39.485 39.000 -0.198 0.000 1.186 49 F HN 0.426 nan 8.300 nan 0.000 0.526 50 L N 2.668 123.509 121.223 -0.637 0.000 2.072 50 L HA -0.074 4.281 4.340 0.024 0.000 0.205 50 L C 0.848 177.155 176.870 -0.939 0.000 1.079 50 L CA 0.902 55.235 54.840 -0.845 0.000 0.752 50 L CB -0.426 40.957 42.059 -1.126 0.000 0.906 50 L HN 0.554 nan 8.230 nan 0.000 0.436 51 H N -0.805 117.852 119.070 -0.688 0.000 2.616 51 H HA 0.224 4.796 4.556 0.026 0.000 0.353 51 H C 0.334 175.206 175.328 -0.760 0.000 1.170 51 H CA -0.638 54.902 56.048 -0.847 0.000 1.212 51 H CB 1.107 29.962 29.762 -1.512 0.000 1.653 51 H HN 0.044 nan 8.280 nan 0.000 0.537 52 Q N 0.813 120.300 119.800 -0.522 0.000 2.308 52 Q HA -0.130 4.225 4.340 0.024 0.000 0.209 52 Q C 1.118 176.867 176.000 -0.418 0.000 0.985 52 Q CA 1.530 57.066 55.803 -0.446 0.000 0.881 52 Q CB 0.058 28.499 28.738 -0.495 0.000 0.917 52 Q HN 0.737 nan 8.270 nan 0.000 0.443 53 W N -1.577 119.439 121.300 -0.473 0.000 3.220 53 W HA 0.403 5.076 4.660 0.022 0.000 0.328 53 W C 0.849 177.284 176.519 -0.139 0.000 1.205 53 W CA -0.296 56.867 57.345 -0.305 0.000 1.773 53 W CB -0.348 28.922 29.460 -0.317 0.000 1.086 53 W HN -0.091 nan 8.180 nan 0.000 0.622 54 S N 1.512 116.988 115.700 -0.373 0.000 2.474 54 S HA -0.113 4.371 4.470 0.024 0.000 0.235 54 S C 1.768 176.544 174.600 0.293 0.000 0.997 54 S CA 1.113 59.163 58.200 -0.250 0.000 0.949 54 S CB -0.132 62.765 63.200 -0.505 0.000 0.766 54 S HN 0.270 nan 8.310 nan 0.000 0.517 55 K N 0.441 120.918 120.400 0.128 0.000 2.228 55 K HA 0.063 4.398 4.320 0.024 0.000 0.202 55 K C 1.086 177.769 176.600 0.139 0.000 1.051 55 K CA 0.476 56.860 56.287 0.161 0.000 0.960 55 K CB -0.184 32.223 32.500 -0.156 0.000 0.743 55 K HN 0.378 nan 8.250 nan 0.000 0.458 56 G N 2.497 111.309 108.800 0.021 0.000 2.372 56 G HA2 -0.319 3.655 3.960 0.024 0.000 0.297 56 G HA3 -0.319 3.655 3.960 0.024 0.000 0.297 56 G C -0.158 174.715 174.900 -0.045 0.000 1.005 56 G CA 0.759 45.783 45.100 -0.128 0.000 1.173 56 G HN 0.509 nan 8.290 nan 0.000 0.511 57 Q N -3.094 116.763 119.800 0.094 0.000 2.439 57 Q HA -0.224 4.130 4.340 0.024 0.000 0.247 57 Q C 0.247 176.456 176.000 0.348 0.000 0.899 57 Q CA 1.400 57.302 55.803 0.166 0.000 1.201 57 Q CB -1.236 27.573 28.738 0.119 0.000 1.608 57 Q HN 0.596 nan 8.270 nan 0.000 0.563 58 F N 0.825 120.825 119.950 0.083 0.000 2.399 58 F HA 0.351 4.893 4.527 0.025 0.000 0.328 58 F C 1.241 177.080 175.800 0.065 0.000 1.084 58 F CA -0.878 57.195 58.000 0.121 0.000 1.053 58 F CB 1.216 40.368 39.000 0.254 0.000 1.209 58 F HN -0.027 nan 8.300 nan 0.000 0.502 59 S N 1.304 117.087 115.700 0.138 0.000 2.632 59 S HA 0.221 4.706 4.470 0.024 0.000 0.267 59 S C 0.729 175.375 174.600 0.078 0.000 1.276 59 S CA -0.712 57.527 58.200 0.065 0.000 0.998 59 S CB 0.717 63.919 63.200 0.003 0.000 0.953 59 S HN 0.550 nan 8.310 nan 0.000 0.547 60 N N 1.198 119.915 118.700 0.028 0.000 2.223 60 N HA -0.075 4.680 4.740 0.024 0.000 0.185 60 N C 1.366 176.897 175.510 0.036 0.000 1.016 60 N CA 1.360 54.422 53.050 0.020 0.000 0.863 60 N CB -0.459 38.020 38.487 -0.014 0.000 0.983 60 N HN 0.688 nan 8.380 nan 0.000 0.429 61 E N 0.793 121.004 120.200 0.018 0.000 2.106 61 E HA -0.099 4.266 4.350 0.024 0.000 0.192 61 E C 1.653 178.258 176.600 0.008 0.000 0.984 61 E CA 0.915 57.319 56.400 0.006 0.000 0.806 61 E CB -0.107 29.588 29.700 -0.009 0.000 0.750 61 E HN 0.513 nan 8.360 nan 0.000 0.458 62 E N 0.009 120.217 120.200 0.015 0.000 2.107 62 E HA -0.098 4.267 4.350 0.024 0.000 0.191 62 E C 1.996 178.654 176.600 0.097 0.000 0.982 62 E CA 0.641 57.052 56.400 0.018 0.000 0.809 62 E CB -0.082 29.584 29.700 -0.057 0.000 0.756 62 E HN 0.223 nan 8.360 nan 0.000 0.459 63 L N 0.720 122.041 121.223 0.164 0.000 2.217 63 L HA -0.093 4.261 4.340 0.024 0.000 0.211 63 L C 2.434 179.370 176.870 0.110 0.000 1.107 63 L CA 0.507 55.466 54.840 0.199 0.000 0.783 63 L CB -0.100 42.152 42.059 0.321 0.000 0.919 63 L HN 0.028 nan 8.230 nan 0.000 0.442 64 S N -0.350 115.391 115.700 0.067 0.000 2.368 64 S HA -0.182 4.302 4.470 0.024 0.000 0.225 64 S C 1.532 176.111 174.600 -0.035 0.000 1.030 64 S CA 1.292 59.505 58.200 0.022 0.000 0.999 64 S CB -0.188 63.018 63.200 0.009 0.000 0.844 64 S HN 0.437 nan 8.310 nan 0.000 0.459 65 D N 1.084 121.455 120.400 -0.049 0.000 2.117 65 D HA -0.021 4.634 4.640 0.024 0.000 0.198 65 D C 1.882 178.067 176.300 -0.191 0.000 0.982 65 D CA 0.573 54.514 54.000 -0.099 0.000 0.828 65 D CB -0.234 40.525 40.800 -0.069 0.000 0.967 65 D HN 0.182 nan 8.370 nan 0.000 0.464 66 L N 1.560 122.651 121.223 -0.219 0.000 2.012 66 L HA -0.147 4.207 4.340 0.024 0.000 0.210 66 L C 2.245 178.763 176.870 -0.587 0.000 1.073 66 L CA 1.465 55.997 54.840 -0.513 0.000 0.748 66 L CB -1.274 40.527 42.059 -0.431 0.000 0.891 66 L HN 0.130 nan 8.230 nan 0.000 0.431 67 E N -0.456 119.648 120.200 -0.159 0.000 2.038 67 E HA -0.258 4.107 4.350 0.024 0.000 0.195 67 E C 2.386 179.020 176.600 0.058 0.000 1.000 67 E CA 1.082 57.555 56.400 0.121 0.000 0.803 67 E CB -0.246 29.517 29.700 0.106 0.000 0.750 67 E HN 0.379 nan 8.360 nan 0.000 0.448 68 L N 0.649 121.792 121.223 -0.133 0.000 1.989 68 L HA -0.234 4.120 4.340 0.024 0.000 0.211 68 L C 2.629 179.197 176.870 -0.504 0.000 1.071 68 L CA 0.791 55.430 54.840 -0.335 0.000 0.749 68 L CB -0.250 41.591 42.059 -0.362 0.000 0.890 68 L HN 0.190 nan 8.230 nan 0.000 0.431 69 L N -0.638 120.354 121.223 -0.385 0.000 1.997 69 L HA -0.312 4.042 4.340 0.024 0.000 0.216 69 L C 2.318 179.194 176.870 0.009 0.000 1.074 69 L CA 2.091 56.782 54.840 -0.249 0.000 0.763 69 L CB -0.732 41.147 42.059 -0.300 0.000 0.890 69 L HN 0.082 nan 8.230 nan 0.000 0.434 70 F N -0.046 119.918 119.950 0.024 0.000 2.095 70 F HA -0.213 4.328 4.527 0.024 0.000 0.298 70 F C 2.704 178.613 175.800 0.181 0.000 1.104 70 F CA 1.499 59.532 58.000 0.055 0.000 1.232 70 F CB -1.196 37.724 39.000 -0.133 0.000 0.987 70 F HN 0.088 nan 8.300 nan 0.000 0.475 71 R N -0.698 120.025 120.500 0.373 0.000 2.112 71 R HA -0.224 4.130 4.340 0.024 0.000 0.242 71 R C 2.252 178.800 176.300 0.412 0.000 1.137 71 R CA 1.943 58.250 56.100 0.344 0.000 0.944 71 R CB -0.775 29.653 30.300 0.213 0.000 0.857 71 R HN 0.147 nan 8.270 nan 0.000 0.435 72 F N -0.198 119.900 119.950 0.246 0.000 2.069 72 F HA -0.263 4.278 4.527 0.025 0.000 0.298 72 F C 2.361 178.339 175.800 0.296 0.000 1.113 72 F CA 0.947 59.084 58.000 0.229 0.000 1.214 72 F CB -1.502 37.599 39.000 0.169 0.000 0.978 72 F HN 0.116 nan 8.300 nan 0.000 0.474 73 Y N 0.504 121.044 120.300 0.400 0.000 2.165 73 Y HA -0.230 4.335 4.550 0.024 0.000 0.286 73 Y C 2.148 178.189 175.900 0.235 0.000 1.155 73 Y CA 1.584 59.855 58.100 0.286 0.000 1.164 73 Y CB -0.681 37.954 38.460 0.291 0.000 0.978 73 Y HN 0.040 nan 8.280 nan 0.000 0.513 74 L N -1.369 119.952 121.223 0.165 0.000 2.005 74 L HA -0.169 4.186 4.340 0.024 0.000 0.207 74 L C 2.330 179.243 176.870 0.073 0.000 1.072 74 L CA 1.418 56.285 54.840 0.045 0.000 0.744 74 L CB -0.874 41.326 42.059 0.234 0.000 0.895 74 L HN 0.255 nan 8.230 nan 0.000 0.433 75 F N 1.062 121.055 119.950 0.072 0.000 2.111 75 F HA -0.259 4.283 4.527 0.024 0.000 0.300 75 F C 2.167 177.949 175.800 -0.029 0.000 1.088 75 F CA 1.624 59.656 58.000 0.054 0.000 1.243 75 F CB -0.841 38.227 39.000 0.114 0.000 0.996 75 F HN 0.027 nan 8.300 nan 0.000 0.483 76 G N 0.702 109.498 108.800 -0.006 0.000 2.484 76 G HA2 -0.234 3.741 3.960 0.024 0.000 0.215 76 G HA3 -0.234 3.741 3.960 0.024 0.000 0.215 76 G C 1.685 176.421 174.900 -0.274 0.000 1.219 76 G CA 0.843 45.847 45.100 -0.160 0.000 0.791 76 G HN 0.318 nan 8.290 nan 0.000 0.550 77 L N 1.594 122.588 121.223 -0.382 0.000 1.978 77 L HA -0.190 4.165 4.340 0.024 0.000 0.218 77 L C 3.412 180.106 176.870 -0.294 0.000 1.075 77 L CA 2.763 57.361 54.840 -0.403 0.000 0.767 77 L CB -1.692 39.997 42.059 -0.617 0.000 0.890 77 L HN 0.541 nan 8.230 nan 0.000 0.434 78 T N -2.553 111.862 114.554 -0.231 0.000 2.635 78 T HA -0.281 4.084 4.350 0.024 0.000 0.267 78 T C 2.037 176.647 174.700 -0.150 0.000 1.040 78 T CA 1.326 63.369 62.100 -0.095 0.000 1.156 78 T CB -0.467 68.388 68.868 -0.022 0.000 0.863 78 T HN 0.240 nan 8.240 nan 0.000 0.430 79 R N 0.813 121.143 120.500 -0.284 0.000 2.103 79 R HA -0.103 4.252 4.340 0.024 0.000 0.242 79 R C 2.735 178.920 176.300 -0.192 0.000 1.142 79 R CA 1.884 57.811 56.100 -0.289 0.000 0.960 79 R CB -0.354 29.664 30.300 -0.470 0.000 0.858 79 R HN 0.465 nan 8.270 nan 0.000 0.439 80 E N 0.258 120.339 120.200 -0.199 0.000 2.106 80 E HA -0.099 4.265 4.350 0.024 0.000 0.192 80 E C 1.625 178.136 176.600 -0.148 0.000 0.984 80 E CA 0.933 57.241 56.400 -0.153 0.000 0.806 80 E CB 0.114 29.715 29.700 -0.164 0.000 0.750 80 E HN 0.181 nan 8.360 nan 0.000 0.458 81 I N 0.383 120.836 120.570 -0.195 0.000 3.030 81 I HA -0.063 4.122 4.170 0.024 0.000 0.270 81 I C 1.874 177.863 176.117 -0.213 0.000 1.211 81 I CA 0.798 61.943 61.300 -0.259 0.000 1.479 81 I CB -0.706 37.062 38.000 -0.386 0.000 1.105 81 I HN 0.212 nan 8.210 nan 0.000 0.447 82 Q N 0.563 120.287 119.800 -0.127 0.000 2.123 82 Q HA -0.108 4.247 4.340 0.024 0.000 0.199 82 Q C 0.217 176.227 176.000 0.018 0.000 0.966 82 Q CA 0.783 56.572 55.803 -0.023 0.000 0.845 82 Q CB 0.203 28.945 28.738 0.007 0.000 0.907 82 Q HN 0.467 nan 8.270 nan 0.000 0.439 83 D N -0.304 120.088 120.400 -0.013 0.000 2.414 83 D HA -0.008 4.647 4.640 0.024 0.000 0.251 83 D C -0.057 176.283 176.300 0.067 0.000 1.252 83 D CA 0.173 54.178 54.000 0.008 0.000 0.999 83 D CB 0.221 41.010 40.800 -0.018 0.000 1.093 83 D HN 0.121 nan 8.370 nan 0.000 0.515 84 H N -1.032 117.993 119.070 -0.076 0.000 2.935 84 H HA -0.120 4.451 4.556 0.025 0.000 0.341 84 H C -1.682 173.622 175.328 -0.040 0.000 1.161 84 H CA 0.685 56.677 56.048 -0.092 0.000 1.135 84 H CB -1.235 28.432 29.762 -0.159 0.000 1.605 84 H HN 0.429 nan 8.280 nan 0.000 0.409 85 A N 2.533 125.341 122.820 -0.020 0.000 2.486 85 A HA 0.785 5.120 4.320 0.024 0.000 0.300 85 A C -0.620 176.963 177.584 -0.003 0.000 1.048 85 A CA 0.244 52.318 52.037 0.061 0.000 0.696 85 A CB 2.252 21.287 19.000 0.058 0.000 1.278 85 A HN 0.411 nan 8.150 nan 0.000 0.405 91 K N -0.181 120.303 120.400 0.140 0.000 1.961 91 K HA 0.477 4.811 4.320 0.024 0.000 0.247 91 K C -1.107 175.624 176.600 0.218 0.000 0.976 91 K CA -0.453 55.970 56.287 0.227 0.000 0.828 91 K CB -0.056 32.684 32.500 0.399 0.000 1.585 91 K HN 0.091 nan 8.250 nan 0.000 0.537 92 Y N 1.253 121.602 120.300 0.082 0.000 2.863 92 Y HA 0.267 4.832 4.550 0.025 0.000 0.254 92 Y C -2.509 173.507 175.900 0.193 0.000 1.124 92 Y CA -0.955 57.224 58.100 0.133 0.000 1.203 92 Y CB 0.647 39.180 38.460 0.122 0.000 1.269 92 Y HN 0.229 nan 8.280 nan 0.000 0.586 93 P HA 0.484 nan 4.420 nan 0.000 0.296 93 P C -1.148 176.187 177.300 0.058 0.000 1.310 93 P CA -0.216 62.874 63.100 -0.016 0.000 0.900 93 P CB 1.949 33.653 31.700 0.006 0.000 1.111 94 F N -1.624 118.269 119.950 -0.095 0.000 2.645 94 F HA 0.701 5.243 4.527 0.024 0.000 0.310 94 F C -1.074 174.667 175.800 -0.100 0.000 1.102 94 F CA -1.148 56.744 58.000 -0.181 0.000 0.952 94 F CB 1.728 40.555 39.000 -0.288 0.000 1.326 94 F HN 0.166 nan 8.300 nan 0.000 0.456 95 E N 1.269 121.429 120.200 -0.067 0.000 2.238 95 E HA 0.703 5.068 4.350 0.024 0.000 0.267 95 E C -1.657 174.978 176.600 0.057 0.000 0.887 95 E CA -1.209 55.193 56.400 0.004 0.000 0.769 95 E CB 3.027 32.762 29.700 0.059 0.000 1.187 95 E HN 0.557 nan 8.360 nan 0.000 0.416 96 V N 2.724 122.783 119.914 0.241 0.000 2.656 96 V HA 0.322 4.456 4.120 0.024 0.000 0.307 96 V C -0.919 175.351 176.094 0.293 0.000 1.051 96 V CA -0.717 61.764 62.300 0.301 0.000 0.893 96 V CB 1.975 34.099 31.823 0.502 0.000 0.999 96 V HN 0.653 nan 8.190 nan 0.000 0.426 97 Q N 2.808 122.673 119.800 0.109 0.000 2.304 97 Q HA 0.723 5.078 4.340 0.024 0.000 0.270 97 Q C -1.511 174.577 176.000 0.146 0.000 1.035 97 Q CA -0.577 55.271 55.803 0.074 0.000 0.781 97 Q CB 3.001 31.543 28.738 -0.326 0.000 1.261 97 Q HN 0.534 nan 8.270 nan 0.000 0.444 98 V N 2.521 122.647 119.914 0.353 0.000 2.495 98 V HA 0.467 4.601 4.120 0.024 0.000 0.298 98 V C -0.567 175.758 176.094 0.384 0.000 1.031 98 V CA -0.701 61.785 62.300 0.310 0.000 0.871 98 V CB 1.957 33.925 31.823 0.242 0.000 0.988 98 V HN 0.578 nan 8.190 nan 0.000 0.432 99 K N 3.433 124.032 120.400 0.332 0.000 2.559 99 K HA 0.780 5.115 4.320 0.024 0.000 0.249 99 K C -0.907 175.746 176.600 0.089 0.000 0.958 99 K CA -0.341 56.109 56.287 0.272 0.000 0.901 99 K CB 1.557 34.260 32.500 0.338 0.000 1.124 99 K HN 0.852 nan 8.250 nan 0.000 0.437 100 A N 2.852 125.600 122.820 -0.120 0.000 2.355 100 A HA 0.899 5.233 4.320 0.024 0.000 0.317 100 A C -0.111 177.291 177.584 -0.304 0.000 1.094 100 A CA -0.045 51.816 52.037 -0.294 0.000 0.764 100 A CB 1.660 20.328 19.000 -0.553 0.000 1.230 100 A HN 0.900 nan 8.150 nan 0.000 0.448 101 G N -0.553 107.844 108.800 -0.672 0.000 2.564 101 G HA2 0.513 4.487 3.960 0.024 0.000 0.139 101 G HA3 0.513 4.487 3.960 0.024 0.000 0.139 101 G C -0.594 173.769 174.900 -0.894 0.000 1.147 101 G CA 0.460 45.207 45.100 -0.588 0.000 1.031 101 G HN 2.382 nan 8.290 nan 0.000 0.482 102 c N -0.987 117.333 118.600 -0.467 0.000 2.985 102 c HA 0.859 5.443 4.570 0.024 0.000 0.332 102 c C -0.636 173.659 174.090 0.342 0.000 1.164 102 c CA -1.017 55.280 56.329 -0.054 0.000 1.347 102 c CB 1.136 43.681 42.510 0.059 0.000 1.764 102 c HN 0.924 nan 8.230 nan 0.000 0.489 103 E N 0.861 121.330 120.200 0.447 0.000 2.248 103 E HA 0.626 4.990 4.350 0.024 0.000 0.272 103 E C -1.246 175.438 176.600 0.140 0.000 1.008 103 E CA -0.667 55.896 56.400 0.272 0.000 0.856 103 E CB 1.981 31.731 29.700 0.084 0.000 1.120 103 E HN 0.617 nan 8.360 nan 0.000 0.397 104 L N 2.624 123.873 121.223 0.043 0.000 2.343 104 L HA 0.308 4.662 4.340 0.024 0.000 0.278 104 L C -1.304 175.555 176.870 -0.019 0.000 0.996 104 L CA -0.324 54.560 54.840 0.074 0.000 0.831 104 L CB 0.754 42.879 42.059 0.109 0.000 1.232 104 L HN 0.506 nan 8.230 nan 0.000 0.413 105 H N 1.241 120.398 119.070 0.145 0.000 2.496 105 H HA 0.523 5.094 4.556 0.025 0.000 0.342 105 H C 0.090 175.481 175.328 0.105 0.000 1.170 105 H CA -0.467 55.665 56.048 0.140 0.000 1.274 105 H CB 1.024 30.842 29.762 0.093 0.000 1.538 105 H HN 0.582 nan 8.280 nan 0.000 0.542 106 S N 0.940 116.767 115.700 0.211 0.000 2.544 106 S HA 0.297 4.782 4.470 0.024 0.000 0.290 106 S C 1.349 176.018 174.600 0.116 0.000 1.276 106 S CA 0.767 59.044 58.200 0.128 0.000 1.075 106 S CB 0.092 63.354 63.200 0.103 0.000 0.849 106 S HN 1.015 nan 8.310 nan 0.000 0.494 107 G N 1.942 110.794 108.800 0.087 0.000 2.218 107 G HA2 -0.003 3.972 3.960 0.024 0.000 0.216 107 G HA3 -0.003 3.972 3.960 0.024 0.000 0.216 107 G C 0.864 175.810 174.900 0.077 0.000 0.994 107 G CA 0.176 45.320 45.100 0.073 0.000 0.637 107 G HN 1.945 nan 8.290 nan 0.000 0.505 108 G N -1.020 107.839 108.800 0.099 0.000 2.176 108 G HA2 0.065 4.040 3.960 0.024 0.000 0.232 108 G HA3 0.065 4.040 3.960 0.024 0.000 0.232 108 G C 0.436 175.400 174.900 0.108 0.000 0.986 108 G CA 1.223 46.380 45.100 0.094 0.000 0.643 108 G HN 2.055 nan 8.290 nan 0.000 0.522 109 S N 2.609 118.384 115.700 0.125 0.000 2.481 109 S HA 0.592 5.077 4.470 0.024 0.000 0.276 109 S C -1.593 173.126 174.600 0.198 0.000 1.247 109 S CA -0.579 57.696 58.200 0.124 0.000 1.053 109 S CB 1.194 64.443 63.200 0.081 0.000 0.925 109 S HN 0.360 nan 8.310 nan 0.000 0.491 110 P HA 0.405 nan 4.420 nan 0.000 0.283 110 P C -1.258 176.157 177.300 0.191 0.000 1.271 110 P CA -0.550 62.660 63.100 0.184 0.000 0.841 110 P CB 0.732 32.501 31.700 0.114 0.000 1.122 111 E N 0.369 120.707 120.200 0.231 0.000 2.448 111 E HA 0.422 4.787 4.350 0.024 0.000 0.288 111 E C -0.454 176.311 176.600 0.276 0.000 0.936 111 E CA -0.574 55.970 56.400 0.240 0.000 0.809 111 E CB 0.593 30.478 29.700 0.308 0.000 1.408 111 E HN 0.585 nan 8.360 nan 0.000 0.393 112 G N 2.760 111.664 108.800 0.174 0.000 2.606 112 G HA2 0.486 4.460 3.960 0.024 0.000 0.252 112 G HA3 0.486 4.460 3.960 0.024 0.000 0.252 112 G C -0.515 174.564 174.900 0.299 0.000 1.206 112 G CA -0.185 44.975 45.100 0.101 0.000 0.861 112 G HN 0.423 nan 8.290 nan 0.000 0.561 113 F N -2.038 118.044 119.950 0.220 0.000 2.665 113 F HA 0.691 5.232 4.527 0.024 0.000 0.308 113 F C -1.506 174.494 175.800 0.334 0.000 1.112 113 F CA -2.145 56.013 58.000 0.263 0.000 0.972 113 F CB 1.779 40.890 39.000 0.185 0.000 1.295 113 F HN 0.470 nan 8.300 nan 0.000 0.440 114 F N 3.412 123.615 119.950 0.422 0.000 3.164 114 F HA 0.410 4.953 4.527 0.025 0.000 0.375 114 F C -1.540 174.580 175.800 0.533 0.000 1.257 114 F CA -0.148 58.086 58.000 0.391 0.000 1.171 114 F CB 1.122 40.281 39.000 0.266 0.000 1.588 114 F HN 0.739 nan 8.300 nan 0.000 0.604 115 Q N 4.563 124.735 119.800 0.620 0.000 2.394 115 Q HA 0.831 5.186 4.340 0.024 0.000 0.273 115 Q C -1.883 174.452 176.000 0.559 0.000 1.089 115 Q CA -1.203 54.980 55.803 0.632 0.000 0.812 115 Q CB 3.238 32.314 28.738 0.562 0.000 1.353 115 Q HN 0.313 nan 8.270 nan 0.000 0.438 116 V N 0.203 120.355 119.914 0.395 0.000 2.769 116 V HA 0.908 5.043 4.120 0.024 0.000 0.312 116 V C -0.723 175.154 176.094 -0.362 0.000 1.061 116 V CA -0.795 61.564 62.300 0.098 0.000 0.931 116 V CB 1.643 33.573 31.823 0.178 0.000 1.010 116 V HN 0.971 nan 8.190 nan 0.000 0.433 117 A N 2.737 125.072 122.820 -0.808 0.000 2.401 117 A HA 0.890 5.225 4.320 0.024 0.000 0.310 117 A C -1.556 175.786 177.584 -0.404 0.000 1.075 117 A CA -0.430 50.953 52.037 -1.090 0.000 0.746 117 A CB 1.505 19.022 19.000 -2.471 0.000 1.277 117 A HN 0.797 nan 8.150 nan 0.000 0.425 118 F N 2.382 122.101 119.950 -0.386 0.000 2.477 118 F HA 0.457 4.998 4.527 0.025 0.000 0.335 118 F C 0.527 176.255 175.800 -0.121 0.000 1.130 118 F CA -0.456 57.438 58.000 -0.177 0.000 0.948 118 F CB 1.082 39.986 39.000 -0.160 0.000 1.154 118 F HN 0.676 nan 8.300 nan 0.000 0.439 119 N N 4.162 122.535 118.700 -0.545 0.000 2.721 119 N HA -0.201 4.554 4.740 0.024 0.000 0.249 119 N C 0.902 176.281 175.510 -0.219 0.000 1.072 119 N CA 1.472 54.342 53.050 -0.301 0.000 0.710 119 N CB -1.170 37.132 38.487 -0.308 0.000 0.993 119 N HN 1.319 nan 8.380 nan 0.000 0.547 120 G N -1.973 106.677 108.800 -0.249 0.000 2.179 120 G HA2 -0.308 3.667 3.960 0.024 0.000 0.260 120 G HA3 -0.308 3.667 3.960 0.024 0.000 0.260 120 G C -0.029 174.622 174.900 -0.414 0.000 0.977 120 G CA 0.551 45.336 45.100 -0.526 0.000 0.641 120 G HN 0.425 nan 8.290 nan 0.000 0.533 121 L N 1.010 122.023 121.223 -0.351 0.000 2.317 121 L HA 0.419 4.774 4.340 0.024 0.000 0.281 121 L C -0.118 176.535 176.870 -0.362 0.000 1.024 121 L CA -1.253 53.442 54.840 -0.241 0.000 0.810 121 L CB 1.192 43.196 42.059 -0.092 0.000 1.240 121 L HN -0.044 nan 8.230 nan 0.000 0.427 122 D N 2.191 122.455 120.400 -0.227 0.000 2.662 122 D HA -0.069 4.586 4.640 0.024 0.000 0.233 122 D C 0.461 176.710 176.300 -0.084 0.000 1.129 122 D CA 0.591 54.528 54.000 -0.105 0.000 0.851 122 D CB 1.654 42.522 40.800 0.113 0.000 1.152 122 D HN 0.318 nan 8.370 nan 0.000 0.507 123 L N 4.246 125.416 121.223 -0.089 0.000 2.435 123 L HA 0.219 4.573 4.340 0.024 0.000 0.195 123 L C -0.199 176.691 176.870 0.033 0.000 1.072 123 L CA 0.963 55.781 54.840 -0.037 0.000 0.833 123 L CB 0.162 42.191 42.059 -0.050 0.000 1.081 123 L HN 0.525 nan 8.230 nan 0.000 0.485 124 L N -3.004 118.282 121.223 0.106 0.000 2.775 124 L HA 0.780 5.134 4.340 0.024 0.000 0.263 124 L C -0.971 176.101 176.870 0.336 0.000 1.017 124 L CA -0.238 54.719 54.840 0.194 0.000 0.891 124 L CB 1.358 43.514 42.059 0.162 0.000 1.482 124 L HN 0.006 nan 8.230 nan 0.000 0.410 125 S N -0.144 115.797 115.700 0.400 0.000 2.579 125 S HA 0.778 5.262 4.470 0.024 0.000 0.272 125 S C -1.232 173.687 174.600 0.531 0.000 1.141 125 S CA -0.529 57.968 58.200 0.495 0.000 0.843 125 S CB 1.561 64.973 63.200 0.354 0.000 1.122 125 S HN 0.856 nan 8.310 nan 0.000 0.468 126 F N 1.940 122.077 119.950 0.311 0.000 2.390 126 F HA 0.622 5.164 4.527 0.024 0.000 0.361 126 F C 0.038 175.843 175.800 0.009 0.000 1.124 126 F CA -0.114 57.835 58.000 -0.085 0.000 1.149 126 F CB 1.215 39.906 39.000 -0.514 0.000 1.160 126 F HN 0.711 nan 8.300 nan 0.000 0.501 127 Q N 5.144 124.672 119.800 -0.453 0.000 2.381 127 Q HA 0.202 4.557 4.340 0.024 0.000 0.263 127 Q C -0.329 175.443 176.000 -0.380 0.000 1.030 127 Q CA -0.326 55.324 55.803 -0.256 0.000 0.772 127 Q CB 1.079 29.759 28.738 -0.096 0.000 1.232 127 Q HN 0.684 nan 8.270 nan 0.000 0.476 128 Q N 2.831 122.487 119.800 -0.239 0.000 2.402 128 Q HA -0.331 4.024 4.340 0.024 0.000 0.356 128 Q C -0.766 175.079 176.000 -0.259 0.000 1.344 128 Q CA 1.345 57.069 55.803 -0.131 0.000 1.062 128 Q CB -1.336 27.372 28.738 -0.049 0.000 1.268 128 Q HN 1.025 nan 8.270 nan 0.000 0.383 129 T N -2.329 111.869 114.554 -0.593 0.000 5.504 129 T HA -0.170 4.195 4.350 0.024 0.000 0.268 129 T C -0.144 174.172 174.700 -0.638 0.000 2.211 129 T CA 1.203 62.973 62.100 -0.549 0.000 3.769 129 T CB -1.496 67.213 68.868 -0.265 0.000 0.563 129 T HN 0.815 nan 8.240 nan 0.000 1.119 130 T N -1.193 112.879 114.554 -0.803 0.000 2.937 130 T HA 0.562 4.927 4.350 0.024 0.000 0.297 130 T C -0.319 174.161 174.700 -0.366 0.000 0.991 130 T CA -0.877 60.961 62.100 -0.438 0.000 0.990 130 T CB 0.976 69.725 68.868 -0.198 0.000 0.991 130 T HN 0.344 nan 8.240 nan 0.000 0.440 131 W N 2.369 123.636 121.300 -0.054 0.000 2.264 131 W HA 0.473 5.148 4.660 0.024 0.000 0.331 131 W C -0.238 176.288 176.519 0.011 0.000 1.364 131 W CA -0.443 56.949 57.345 0.079 0.000 1.253 131 W CB 0.606 30.129 29.460 0.105 0.000 1.215 131 W HN 0.489 nan 8.180 nan 0.000 0.561 132 V N 6.087 126.188 119.914 0.311 0.000 2.569 132 V HA 0.297 4.431 4.120 0.024 0.000 0.301 132 V C -1.918 174.278 176.094 0.170 0.000 1.044 132 V CA -2.170 60.232 62.300 0.170 0.000 0.874 132 V CB 1.972 33.852 31.823 0.095 0.000 1.002 132 V HN 0.296 nan 8.190 nan 0.000 0.424 133 P HA 0.219 nan 4.420 nan 0.000 0.277 133 P C -0.306 177.040 177.300 0.076 0.000 1.240 133 P CA -0.092 63.062 63.100 0.089 0.000 0.798 133 P CB 1.296 33.031 31.700 0.058 0.000 0.979 134 S N 2.221 117.960 115.700 0.066 0.000 2.565 134 S HA 0.355 4.840 4.470 0.024 0.000 0.274 134 S C -2.138 172.483 174.600 0.034 0.000 1.309 134 S CA -1.341 56.893 58.200 0.057 0.000 1.043 134 S CB -0.876 62.360 63.200 0.059 0.000 0.939 134 S HN 0.238 nan 8.310 nan 0.000 0.504 135 P HA 0.125 nan 4.420 nan 0.000 0.258 135 P C 0.407 177.714 177.300 0.011 0.000 1.172 135 P CA 0.269 63.382 63.100 0.021 0.000 0.762 135 P CB 0.362 32.076 31.700 0.022 0.000 0.764 136 G N 2.016 110.818 108.800 0.004 0.000 2.478 136 G HA2 0.096 4.071 3.960 0.024 0.000 0.211 136 G HA3 0.096 4.071 3.960 0.024 0.000 0.211 136 G C -0.395 174.503 174.900 -0.004 0.000 1.726 136 G CA -0.070 45.027 45.100 -0.005 0.000 0.725 136 G HN 0.639 nan 8.290 nan 0.000 0.654 137 C N 0.223 119.519 119.300 -0.006 0.000 2.347 137 C HA 0.788 5.262 4.460 0.024 0.000 0.353 137 C C 1.184 176.161 174.990 -0.023 0.000 1.273 137 C CA -0.381 58.630 59.018 -0.011 0.000 1.861 137 C CB -0.020 27.717 27.740 -0.005 0.000 2.420 137 C HN 1.710 nan 8.230 nan 0.000 0.542 138 G N 2.404 111.182 108.800 -0.037 0.000 2.155 138 G HA2 -0.183 3.791 3.960 0.024 0.000 0.135 138 G HA3 -0.183 3.791 3.960 0.024 0.000 0.135 138 G C 0.533 175.406 174.900 -0.045 0.000 1.023 138 G CA 0.257 45.334 45.100 -0.038 0.000 0.688 138 G HN 0.826 nan 8.290 nan 0.000 0.499 139 S N -0.931 114.733 115.700 -0.061 0.000 2.439 139 S HA 0.179 4.664 4.470 0.024 0.000 0.224 139 S C 2.430 176.982 174.600 -0.080 0.000 1.029 139 S CA 1.305 59.470 58.200 -0.058 0.000 0.946 139 S CB -0.045 63.121 63.200 -0.056 0.000 0.797 139 S HN 0.317 nan 8.310 nan 0.000 0.504 140 L N 1.966 123.112 121.223 -0.129 0.000 2.017 140 L HA 0.071 4.426 4.340 0.024 0.000 0.208 140 L C 2.690 179.451 176.870 -0.181 0.000 1.073 140 L CA 1.844 56.568 54.840 -0.192 0.000 0.745 140 L CB -1.342 40.494 42.059 -0.372 0.000 0.894 140 L HN 0.286 nan 8.230 nan 0.000 0.432 141 A N -0.824 121.904 122.820 -0.154 0.000 1.851 141 A HA -0.287 4.047 4.320 0.024 0.000 0.216 141 A C 2.281 179.843 177.584 -0.037 0.000 1.195 141 A CA 1.926 53.907 52.037 -0.093 0.000 0.622 141 A CB -0.676 18.291 19.000 -0.056 0.000 0.831 141 A HN 0.530 nan 8.150 nan 0.000 0.444 142 Q N -0.750 119.045 119.800 -0.008 0.000 2.084 142 Q HA -0.153 4.201 4.340 0.024 0.000 0.202 142 Q C 2.499 178.549 176.000 0.084 0.000 0.978 142 Q CA 1.693 57.529 55.803 0.055 0.000 0.844 142 Q CB -0.303 28.470 28.738 0.058 0.000 0.898 142 Q HN 0.706 nan 8.270 nan 0.000 0.426 143 S N 0.166 115.873 115.700 0.011 0.000 2.353 143 S HA -0.153 4.332 4.470 0.024 0.000 0.222 143 S C 1.985 176.591 174.600 0.010 0.000 1.035 143 S CA 1.405 59.603 58.200 -0.002 0.000 1.025 143 S CB -0.362 62.810 63.200 -0.047 0.000 0.902 143 S HN 0.329 nan 8.310 nan 0.000 0.440 144 V N 0.770 120.649 119.914 -0.059 0.000 2.548 144 V HA -0.096 4.038 4.120 0.024 0.000 0.249 144 V C 2.474 178.480 176.094 -0.148 0.000 1.055 144 V CA 2.050 64.280 62.300 -0.118 0.000 1.065 144 V CB -0.822 30.892 31.823 -0.182 0.000 0.681 144 V HN 0.817 nan 8.190 nan 0.000 0.462 145 C N -0.332 118.918 119.300 -0.084 0.000 2.440 145 C HA -0.119 4.356 4.460 0.024 0.000 0.278 145 C C 2.439 177.403 174.990 -0.042 0.000 1.295 145 C CA 1.443 60.417 59.018 -0.072 0.000 1.738 145 C CB -1.388 26.382 27.740 0.051 0.000 1.987 145 C HN 0.791 nan 8.230 nan 0.000 0.492 146 H N -0.046 119.006 119.070 -0.030 0.000 2.293 146 H HA -0.097 4.474 4.556 0.024 0.000 0.300 146 H C 2.141 177.468 175.328 -0.001 0.000 1.082 146 H CA 1.538 57.600 56.048 0.024 0.000 1.308 146 H CB -0.113 29.671 29.762 0.036 0.000 1.375 146 H HN 0.148 nan 8.280 nan 0.000 0.495 147 L N -0.207 121.070 121.223 0.090 0.000 1.990 147 L HA -0.207 4.147 4.340 0.024 0.000 0.213 147 L C 2.239 179.099 176.870 -0.017 0.000 1.072 147 L CA 1.388 56.244 54.840 0.027 0.000 0.755 147 L CB -1.080 40.974 42.059 -0.007 0.000 0.889 147 L HN 0.334 nan 8.230 nan 0.000 0.432 148 L N -0.436 120.704 121.223 -0.139 0.000 2.141 148 L HA -0.128 4.226 4.340 0.024 0.000 0.209 148 L C 2.323 179.192 176.870 -0.000 0.000 1.094 148 L CA 1.166 55.879 54.840 -0.212 0.000 0.763 148 L CB -1.169 40.377 42.059 -0.854 0.000 0.908 148 L HN 0.285 nan 8.230 nan 0.000 0.437 149 N N -0.932 117.736 118.700 -0.054 0.000 2.039 149 N HA -0.162 4.593 4.740 0.024 0.000 0.193 149 N C 1.767 177.068 175.510 -0.348 0.000 1.044 149 N CA 1.547 54.471 53.050 -0.211 0.000 0.847 149 N CB -0.089 38.105 38.487 -0.488 0.000 1.030 149 N HN 0.425 nan 8.380 nan 0.000 0.422 150 H N -1.113 117.967 119.070 0.017 0.000 2.927 150 H HA 0.244 4.815 4.556 0.025 0.000 0.255 150 H C 1.552 176.834 175.328 -0.075 0.000 0.974 150 H CA -0.040 56.000 56.048 -0.013 0.000 1.199 150 H CB 0.442 30.192 29.762 -0.020 0.000 1.447 150 H HN 0.116 nan 8.280 nan 0.000 0.467 151 Q N 0.675 120.469 119.800 -0.010 0.000 1.990 151 Q HA -0.041 4.313 4.340 0.024 0.000 0.200 151 Q C -0.197 175.438 176.000 -0.608 0.000 0.980 151 Q CA 1.298 56.926 55.803 -0.292 0.000 0.832 151 Q CB 0.070 28.666 28.738 -0.236 0.000 0.897 151 Q HN 0.365 nan 8.270 nan 0.000 0.427 152 Y N -0.226 120.107 120.300 0.055 0.000 2.361 152 Y HA 0.394 4.959 4.550 0.024 0.000 0.337 152 Y C 0.069 176.015 175.900 0.078 0.000 0.965 152 Y CA -0.888 57.247 58.100 0.059 0.000 1.091 152 Y CB 1.517 40.005 38.460 0.047 0.000 1.182 152 Y HN -0.022 nan 8.280 nan 0.000 0.450 153 E N 0.910 121.241 120.200 0.219 0.000 2.355 153 E HA 0.634 4.999 4.350 0.024 0.000 0.261 153 E C 0.702 177.408 176.600 0.177 0.000 0.943 153 E CA -0.329 56.182 56.400 0.185 0.000 0.806 153 E CB 1.881 31.657 29.700 0.127 0.000 1.286 153 E HN 0.717 nan 8.360 nan 0.000 0.424 154 G N 0.153 109.035 108.800 0.138 0.000 2.336 154 G HA2 -0.360 3.615 3.960 0.024 0.000 0.233 154 G HA3 -0.360 3.615 3.960 0.024 0.000 0.233 154 G C 1.025 176.001 174.900 0.126 0.000 1.053 154 G CA 0.920 46.094 45.100 0.123 0.000 0.625 154 G HN 1.062 nan 8.290 nan 0.000 0.511 155 V N -1.027 118.980 119.914 0.154 0.000 2.446 155 V HA 0.151 4.285 4.120 0.024 0.000 0.244 155 V C 2.664 178.839 176.094 0.135 0.000 1.039 155 V CA 2.987 65.376 62.300 0.150 0.000 1.045 155 V CB -0.866 31.056 31.823 0.164 0.000 0.681 155 V HN 1.067 nan 8.190 nan 0.000 0.459 156 T N -0.750 113.904 114.554 0.168 0.000 2.951 156 T HA -0.104 4.261 4.350 0.024 0.000 0.268 156 T C 1.745 176.454 174.700 0.016 0.000 1.073 156 T CA 1.672 63.813 62.100 0.068 0.000 1.134 156 T CB -0.478 68.514 68.868 0.206 0.000 0.884 156 T HN 0.701 nan 8.240 nan 0.000 0.479 157 E N 0.429 120.674 120.200 0.076 0.000 2.072 157 E HA -0.075 4.289 4.350 0.024 0.000 0.191 157 E C 2.408 179.074 176.600 0.111 0.000 0.985 157 E CA 1.636 58.090 56.400 0.090 0.000 0.801 157 E CB -0.249 29.498 29.700 0.078 0.000 0.750 157 E HN 0.518 nan 8.360 nan 0.000 0.452 158 T N 1.021 115.626 114.554 0.085 0.000 2.674 158 T HA -0.145 4.219 4.350 0.024 0.000 0.265 158 T C 2.124 176.850 174.700 0.043 0.000 1.039 158 T CA 1.116 63.260 62.100 0.073 0.000 1.150 158 T CB -0.342 68.576 68.868 0.084 0.000 0.864 158 T HN -0.032 nan 8.240 nan 0.000 0.427 159 V N 0.385 120.293 119.914 -0.010 0.000 2.332 159 V HA -0.202 3.933 4.120 0.024 0.000 0.248 159 V C 2.016 178.021 176.094 -0.148 0.000 1.055 159 V CA 1.762 63.995 62.300 -0.113 0.000 1.038 159 V CB -0.653 30.981 31.823 -0.315 0.000 0.651 159 V HN 0.541 nan 8.190 nan 0.000 0.450 160 Y N 1.037 121.181 120.300 -0.258 0.000 2.181 160 Y HA -0.278 4.287 4.550 0.025 0.000 0.288 160 Y C 2.362 178.256 175.900 -0.009 0.000 1.146 160 Y CA 2.375 60.407 58.100 -0.114 0.000 1.164 160 Y CB -0.251 38.214 38.460 0.008 0.000 0.982 160 Y HN 0.370 nan 8.280 nan 0.000 0.515 161 N N -0.669 118.088 118.700 0.095 0.000 2.106 161 N HA -0.180 4.575 4.740 0.024 0.000 0.188 161 N C 1.538 177.049 175.510 0.002 0.000 1.029 161 N CA 0.938 54.019 53.050 0.052 0.000 0.848 161 N CB -0.175 38.366 38.487 0.090 0.000 1.007 161 N HN 0.166 nan 8.380 nan 0.000 0.423 162 L N 1.554 122.784 121.223 0.011 0.000 1.989 162 L HA -0.123 4.231 4.340 0.024 0.000 0.211 162 L C 2.039 178.916 176.870 0.011 0.000 1.071 162 L CA 1.489 56.345 54.840 0.026 0.000 0.749 162 L CB -0.860 41.225 42.059 0.044 0.000 0.890 162 L HN 0.331 nan 8.230 nan 0.000 0.431 163 I N -3.948 116.598 120.570 -0.039 0.000 2.500 163 I HA -0.104 4.080 4.170 0.024 0.000 0.252 163 I C 2.184 178.254 176.117 -0.079 0.000 1.142 163 I CA 0.789 62.052 61.300 -0.061 0.000 1.451 163 I CB -0.291 37.663 38.000 -0.077 0.000 1.093 163 I HN 0.103 nan 8.210 nan 0.000 0.430 164 R N 0.927 121.328 120.500 -0.166 0.000 2.140 164 R HA 0.146 4.501 4.340 0.024 0.000 0.213 164 R C 2.260 178.523 176.300 -0.062 0.000 1.059 164 R CA 1.269 57.262 56.100 -0.178 0.000 1.000 164 R CB -0.706 29.332 30.300 -0.435 0.000 0.910 164 R HN 0.530 nan 8.270 nan 0.000 0.455 165 S N -0.627 115.055 115.700 -0.030 0.000 2.998 165 S HA -0.001 4.483 4.470 0.024 0.000 0.208 165 S C 1.678 176.335 174.600 0.095 0.000 0.876 165 S CA 0.767 58.987 58.200 0.033 0.000 0.836 165 S CB -0.370 62.849 63.200 0.030 0.000 0.817 165 S HN 0.161 nan 8.310 nan 0.000 0.631 166 T N 1.891 116.511 114.554 0.110 0.000 2.624 166 T HA -0.217 4.147 4.350 0.024 0.000 0.268 166 T C 2.010 176.848 174.700 0.231 0.000 1.041 166 T CA 1.735 63.955 62.100 0.201 0.000 1.159 166 T CB -1.345 67.618 68.868 0.158 0.000 0.863 166 T HN 0.614 nan 8.240 nan 0.000 0.434 167 c N 2.323 121.013 118.600 0.150 0.000 2.388 167 c HA -0.066 4.519 4.570 0.024 0.000 0.277 167 c C -0.324 173.880 174.090 0.191 0.000 1.210 167 c CA 1.123 57.555 56.329 0.172 0.000 1.743 167 c CB -1.395 41.197 42.510 0.137 0.000 2.047 167 c HN 0.426 nan 8.230 nan 0.000 0.458 168 P HA -0.091 nan 4.420 nan 0.000 0.218 168 P C 1.711 179.095 177.300 0.140 0.000 1.149 168 P CA 1.431 64.615 63.100 0.140 0.000 0.817 168 P CB -0.304 31.465 31.700 0.115 0.000 0.785 169 R N -1.385 119.228 120.500 0.189 0.000 2.073 169 R HA -0.112 4.243 4.340 0.024 0.000 0.229 169 R C 2.108 178.581 176.300 0.289 0.000 1.120 169 R CA 1.082 57.324 56.100 0.237 0.000 0.967 169 R CB -0.854 29.608 30.300 0.271 0.000 0.862 169 R HN 0.053 nan 8.270 nan 0.000 0.436 170 F N 1.267 121.256 119.950 0.064 0.000 2.051 170 F HA -0.222 4.320 4.527 0.025 0.000 0.296 170 F C 1.954 177.576 175.800 -0.297 0.000 1.122 170 F CA 1.436 59.196 58.000 -0.399 0.000 1.201 170 F CB -0.703 37.849 39.000 -0.747 0.000 0.978 170 F HN 0.082 nan 8.300 nan 0.000 0.472 171 L N 0.777 121.901 121.223 -0.165 0.000 2.034 171 L HA -0.266 4.089 4.340 0.024 0.000 0.217 171 L C 2.112 178.911 176.870 -0.118 0.000 1.077 171 L CA 2.014 56.767 54.840 -0.145 0.000 0.769 171 L CB -1.292 40.820 42.059 0.089 0.000 0.890 171 L HN 0.319 nan 8.230 nan 0.000 0.435 172 L N -0.891 120.307 121.223 -0.042 0.000 2.141 172 L HA -0.070 4.285 4.340 0.024 0.000 0.209 172 L C 2.477 179.313 176.870 -0.057 0.000 1.094 172 L CA 0.978 55.807 54.840 -0.019 0.000 0.763 172 L CB -1.120 40.957 42.059 0.031 0.000 0.908 172 L HN 0.487 nan 8.230 nan 0.000 0.437 173 G N -0.245 108.495 108.800 -0.099 0.000 2.422 173 G HA2 -0.220 3.754 3.960 0.024 0.000 0.218 173 G HA3 -0.220 3.754 3.960 0.024 0.000 0.218 173 G C 1.520 176.315 174.900 -0.175 0.000 1.140 173 G CA 0.247 45.285 45.100 -0.103 0.000 0.775 173 G HN 0.115 nan 8.290 nan 0.000 0.545 174 L N -0.121 120.919 121.223 -0.305 0.000 2.056 174 L HA 0.151 4.506 4.340 0.024 0.000 0.207 174 L C 2.691 179.489 176.870 -0.120 0.000 1.078 174 L CA 0.981 55.710 54.840 -0.186 0.000 0.749 174 L CB -0.762 41.159 42.059 -0.230 0.000 0.901 174 L HN 0.090 nan 8.230 nan 0.000 0.433 175 L N -0.726 120.423 121.223 -0.122 0.000 2.046 175 L HA -0.214 4.140 4.340 0.024 0.000 0.208 175 L C 2.199 178.990 176.870 -0.131 0.000 1.077 175 L CA 1.627 56.392 54.840 -0.124 0.000 0.747 175 L CB -0.893 41.134 42.059 -0.053 0.000 0.896 175 L HN 0.272 nan 8.230 nan 0.000 0.432 176 D N -1.128 119.222 120.400 -0.083 0.000 2.097 176 D HA -0.108 4.546 4.640 0.024 0.000 0.197 176 D C 2.162 178.432 176.300 -0.050 0.000 0.984 176 D CA 1.275 55.244 54.000 -0.053 0.000 0.826 176 D CB 0.093 40.882 40.800 -0.019 0.000 0.973 176 D HN 0.283 nan 8.370 nan 0.000 0.460 177 A N -0.213 122.592 122.820 -0.025 0.000 1.968 177 A HA 0.107 4.441 4.320 0.024 0.000 0.217 177 A C 2.263 179.835 177.584 -0.020 0.000 1.169 177 A CA 1.690 53.768 52.037 0.069 0.000 0.638 177 A CB -0.885 18.209 19.000 0.156 0.000 0.812 177 A HN 0.320 nan 8.150 nan 0.000 0.446 178 G N -0.019 108.544 108.800 -0.394 0.000 2.408 178 G HA2 -0.157 3.818 3.960 0.024 0.000 0.217 178 G HA3 -0.157 3.818 3.960 0.024 0.000 0.217 178 G C 1.552 176.112 174.900 -0.566 0.000 1.150 178 G CA 0.903 45.355 45.100 -1.079 0.000 0.776 178 G HN 0.357 nan 8.290 nan 0.000 0.542 179 K N 0.494 120.712 120.400 -0.303 0.000 2.074 179 K HA -0.049 4.286 4.320 0.024 0.000 0.209 179 K C 2.518 179.037 176.600 -0.135 0.000 1.048 179 K CA 1.015 57.198 56.287 -0.173 0.000 0.926 179 K CB -0.703 31.737 32.500 -0.099 0.000 0.713 179 K HN 0.389 nan 8.250 nan 0.000 0.444 180 M N -0.589 118.942 119.600 -0.115 0.000 2.110 180 M HA -0.253 4.241 4.480 0.024 0.000 0.257 180 M C 2.247 178.414 176.300 -0.222 0.000 1.071 180 M CA 2.039 57.239 55.300 -0.166 0.000 1.096 180 M CB -0.742 31.741 32.600 -0.194 0.000 1.300 180 M HN 0.102 nan 8.290 nan 0.000 0.411 181 Y N -0.986 119.210 120.300 -0.172 0.000 2.153 181 Y HA 0.130 4.693 4.550 0.022 0.000 0.289 181 Y C 0.873 176.668 175.900 -0.175 0.000 1.119 181 Y CA 0.383 58.408 58.100 -0.126 0.000 1.116 181 Y CB 0.142 38.590 38.460 -0.021 0.000 1.004 181 Y HN -0.037 nan 8.280 nan 0.000 0.501 182 V N -0.358 119.458 119.914 -0.164 0.000 3.023 182 V HA 0.282 4.416 4.120 0.024 0.000 0.294 182 V C -1.688 174.171 176.094 -0.391 0.000 1.324 182 V CA -0.963 61.173 62.300 -0.274 0.000 0.979 182 V CB 2.019 33.576 31.823 -0.444 0.000 1.093 182 V HN 0.415 nan 8.190 nan 0.000 0.434 183 H N 2.273 121.194 119.070 -0.248 0.000 2.946 183 H HA 0.780 5.350 4.556 0.024 0.000 0.365 183 H C -0.267 175.094 175.328 0.057 0.000 1.197 183 H CA -1.360 54.624 56.048 -0.107 0.000 1.131 183 H CB 0.733 30.423 29.762 -0.120 0.000 1.849 183 H HN 0.537 nan 8.280 nan 0.000 0.555 184 R N 0.034 120.653 120.500 0.199 0.000 2.919 184 R HA 0.108 4.463 4.340 0.024 0.000 0.284 184 R C -0.044 176.378 176.300 0.203 0.000 1.104 184 R CA -0.529 55.665 56.100 0.157 0.000 1.207 184 R CB 0.191 30.547 30.300 0.093 0.000 1.162 184 R HN 0.587 nan 8.270 nan 0.000 0.561 185 Q N 0.302 120.191 119.800 0.149 0.000 2.304 185 Q HA 0.004 4.359 4.340 0.024 0.000 0.315 185 Q C -0.857 175.236 176.000 0.155 0.000 1.075 185 Q CA 0.370 56.262 55.803 0.148 0.000 0.988 185 Q CB 0.498 29.284 28.738 0.080 0.000 1.146 185 Q HN 0.215 nan 8.270 nan 0.000 0.383 186 V N 3.595 123.626 119.914 0.195 0.000 2.540 186 V HA 0.263 4.398 4.120 0.024 0.000 0.302 186 V C -0.231 175.972 176.094 0.181 0.000 1.035 186 V CA -0.986 61.387 62.300 0.122 0.000 0.873 186 V CB 1.763 33.575 31.823 -0.018 0.000 0.992 186 V HN 0.659 nan 8.190 nan 0.000 0.428 187 K N 5.435 125.924 120.400 0.149 0.000 2.401 187 K HA 0.293 4.627 4.320 0.024 0.000 0.278 187 K C -2.365 174.309 176.600 0.123 0.000 1.018 187 K CA -1.137 55.236 56.287 0.145 0.000 0.981 187 K CB 0.654 33.227 32.500 0.122 0.000 0.933 187 K HN 0.445 nan 8.250 nan 0.000 0.477 188 P HA 0.041 nan 4.420 nan 0.000 0.276 188 P C -1.142 176.261 177.300 0.173 0.000 1.244 188 P CA -0.390 62.815 63.100 0.174 0.000 0.801 188 P CB 0.762 32.549 31.700 0.145 0.000 1.006 189 E N 0.745 121.095 120.200 0.249 0.000 2.222 189 E HA 0.762 5.127 4.350 0.024 0.000 0.267 189 E C -1.132 175.676 176.600 0.346 0.000 0.963 189 E CA -1.344 55.220 56.400 0.273 0.000 0.837 189 E CB 1.691 31.571 29.700 0.300 0.000 1.183 189 E HN 0.441 nan 8.360 nan 0.000 0.403 190 A N 1.452 124.470 122.820 0.330 0.000 2.515 190 A HA 0.796 5.131 4.320 0.024 0.000 0.296 190 A C -1.883 175.969 177.584 0.446 0.000 1.094 190 A CA -0.785 51.403 52.037 0.252 0.000 0.718 190 A CB 0.836 19.863 19.000 0.045 0.000 1.307 190 A HN 0.831 nan 8.150 nan 0.000 0.408 191 W N 0.103 121.489 121.300 0.143 0.000 3.153 191 W HA 0.674 5.346 4.660 0.020 0.000 0.316 191 W C -2.491 174.177 176.519 0.249 0.000 1.255 191 W CA -0.919 56.517 57.345 0.153 0.000 1.192 191 W CB 0.535 30.068 29.460 0.122 0.000 1.400 191 W HN 0.583 nan 8.180 nan 0.000 0.568 192 L N 3.541 125.005 121.223 0.402 0.000 2.334 192 L HA 0.863 5.217 4.340 0.024 0.000 0.272 192 L C 0.259 177.418 176.870 0.481 0.000 1.020 192 L CA -0.984 54.103 54.840 0.411 0.000 0.812 192 L CB 1.775 44.072 42.059 0.397 0.000 1.264 192 L HN 0.700 nan 8.230 nan 0.000 0.439 193 S N -0.382 115.641 115.700 0.537 0.000 2.565 193 S HA 0.556 5.041 4.470 0.024 0.000 0.269 193 S C -0.654 174.254 174.600 0.514 0.000 1.153 193 S CA -0.852 57.625 58.200 0.462 0.000 0.835 193 S CB 1.573 65.058 63.200 0.476 0.000 1.122 193 S HN 0.596 nan 8.310 nan 0.000 0.462 194 S N 0.750 116.714 115.700 0.441 0.000 2.617 194 S HA 0.772 5.256 4.470 0.024 0.000 0.259 194 S C 0.674 175.386 174.600 0.187 0.000 1.301 194 S CA -0.206 58.189 58.200 0.326 0.000 0.984 194 S CB 0.279 63.652 63.200 0.288 0.000 0.954 194 S HN 1.403 nan 8.310 nan 0.000 0.572 195 G N -0.743 108.104 108.800 0.079 0.000 3.108 195 G HA2 0.654 4.629 3.960 0.024 0.000 0.268 195 G HA3 0.654 4.629 3.960 0.024 0.000 0.268 195 G C -3.276 171.639 174.900 0.024 0.000 1.361 195 G CA -2.106 43.025 45.100 0.052 0.000 1.047 195 G HN 0.516 nan 8.290 nan 0.000 0.540 196 P HA 0.137 nan 4.420 nan 0.000 0.262 196 P C 0.266 177.559 177.300 -0.011 0.000 1.182 196 P CA 0.036 63.140 63.100 0.007 0.000 0.761 196 P CB 0.865 32.570 31.700 0.008 0.000 0.795 197 S N 4.652 120.348 115.700 -0.006 0.000 2.673 197 S HA -0.001 4.483 4.470 0.024 0.000 0.308 197 S C -1.212 173.371 174.600 -0.028 0.000 1.246 197 S CA -0.656 57.533 58.200 -0.018 0.000 1.077 197 S CB -0.424 62.773 63.200 -0.005 0.000 0.814 197 S HN 0.280 nan 8.310 nan 0.000 0.503 198 P HA 0.293 nan 4.420 nan 0.000 0.236 198 P C 0.555 177.833 177.300 -0.037 0.000 1.177 198 P CA 0.617 63.688 63.100 -0.048 0.000 0.773 198 P CB -0.031 31.625 31.700 -0.073 0.000 0.878 199 G N -1.391 107.389 108.800 -0.032 0.000 2.341 199 G HA2 0.213 4.188 3.960 0.024 0.000 0.293 199 G HA3 0.213 4.188 3.960 0.024 0.000 0.293 199 G C -3.357 171.531 174.900 -0.021 0.000 1.298 199 G CA -0.905 44.181 45.100 -0.024 0.000 0.868 199 G HN -0.366 nan 8.290 nan 0.000 0.540 200 P HA 0.396 nan 4.420 nan 0.000 0.267 200 P C 0.953 178.242 177.300 -0.019 0.000 1.205 200 P CA 1.796 64.888 63.100 -0.014 0.000 0.765 200 P CB 0.991 32.685 31.700 -0.011 0.000 0.828 201 G N 2.148 110.938 108.800 -0.018 0.000 2.155 201 G HA2 -0.276 3.698 3.960 0.024 0.000 0.257 201 G HA3 -0.276 3.698 3.960 0.024 0.000 0.257 201 G C 0.132 175.014 174.900 -0.031 0.000 0.983 201 G CA -0.159 44.928 45.100 -0.021 0.000 0.676 201 G HN 0.582 nan 8.290 nan 0.000 0.528 202 R N -1.051 119.427 120.500 -0.038 0.000 2.750 202 R HA 0.815 5.170 4.340 0.024 0.000 0.281 202 R C -0.173 176.084 176.300 -0.072 0.000 0.972 202 R CA -0.832 55.231 56.100 -0.062 0.000 0.912 202 R CB 1.599 31.858 30.300 -0.068 0.000 1.187 202 R HN 0.162 nan 8.270 nan 0.000 0.464 203 L N 1.097 122.247 121.223 -0.122 0.000 2.323 203 L HA 0.515 4.870 4.340 0.024 0.000 0.265 203 L C -0.624 176.097 176.870 -0.249 0.000 1.012 203 L CA -0.935 53.809 54.840 -0.160 0.000 0.820 203 L CB 2.218 44.162 42.059 -0.192 0.000 1.334 203 L HN 0.476 nan 8.230 nan 0.000 0.427 204 Q N 1.722 121.377 119.800 -0.241 0.000 2.333 204 Q HA 0.497 4.852 4.340 0.024 0.000 0.268 204 Q C -1.689 174.075 176.000 -0.394 0.000 1.007 204 Q CA -0.799 54.831 55.803 -0.289 0.000 0.810 204 Q CB 1.653 30.296 28.738 -0.159 0.000 1.264 204 Q HN 0.357 nan 8.270 nan 0.000 0.452 205 L N 4.199 125.048 121.223 -0.623 0.000 2.275 205 L HA 0.480 4.835 4.340 0.024 0.000 0.288 205 L C -0.698 176.056 176.870 -0.194 0.000 1.046 205 L CA -0.381 54.016 54.840 -0.739 0.000 0.805 205 L CB 1.587 42.724 42.059 -1.536 0.000 1.193 205 L HN 0.442 nan 8.230 nan 0.000 0.426 206 V N 2.196 122.208 119.914 0.163 0.000 2.555 206 V HA 0.484 4.618 4.120 0.024 0.000 0.302 206 V C -0.463 175.785 176.094 0.258 0.000 1.038 206 V CA -0.679 61.724 62.300 0.172 0.000 0.887 206 V CB 2.004 33.859 31.823 0.054 0.000 0.991 206 V HN 0.886 nan 8.190 nan 0.000 0.434 207 c N 5.783 124.378 118.600 -0.008 0.000 2.340 207 c HA 0.605 5.189 4.570 0.024 0.000 0.323 207 c C -0.343 173.429 174.090 -0.531 0.000 1.260 207 c CA -0.370 55.819 56.329 -0.232 0.000 1.464 207 c CB -0.195 41.995 42.510 -0.534 0.000 2.156 207 c HN 0.968 nan 8.230 nan 0.000 0.476 208 H N 4.311 123.005 119.070 -0.626 0.000 2.459 208 H HA 0.551 5.121 4.556 0.025 0.000 0.332 208 H C -0.774 174.118 175.328 -0.727 0.000 1.094 208 H CA -0.466 55.038 56.048 -0.906 0.000 1.224 208 H CB 1.836 30.562 29.762 -1.726 0.000 1.449 208 H HN 0.488 nan 8.280 nan 0.000 0.484 209 V N 2.493 122.122 119.914 -0.476 0.000 2.407 209 V HA 0.235 4.370 4.120 0.024 0.000 0.291 209 V C 0.028 176.152 176.094 0.049 0.000 1.018 209 V CA -0.541 61.649 62.300 -0.184 0.000 0.842 209 V CB 1.538 33.198 31.823 -0.271 0.000 0.996 209 V HN 0.718 nan 8.190 nan 0.000 0.426 210 S N 3.006 118.877 115.700 0.284 0.000 2.538 210 S HA 0.723 5.208 4.470 0.024 0.000 0.288 210 S C 0.625 175.412 174.600 0.311 0.000 1.108 210 S CA 0.536 58.977 58.200 0.400 0.000 0.971 210 S CB 1.526 65.130 63.200 0.673 0.000 1.041 210 S HN 2.003 nan 8.310 nan 0.000 0.483 211 G N 2.932 111.794 108.800 0.104 0.000 2.141 211 G HA2 -0.194 3.781 3.960 0.024 0.000 0.242 211 G HA3 -0.194 3.781 3.960 0.024 0.000 0.242 211 G C -0.130 174.775 174.900 0.009 0.000 0.982 211 G CA 0.283 45.395 45.100 0.020 0.000 0.662 211 G HN 1.233 nan 8.290 nan 0.000 0.527 212 F N -0.471 119.485 119.950 0.010 0.000 2.396 212 F HA 0.796 5.333 4.527 0.016 0.000 0.343 212 F C -0.152 175.741 175.800 0.155 0.000 1.104 212 F CA -2.074 55.851 58.000 -0.125 0.000 1.161 212 F CB 0.815 39.495 39.000 -0.533 0.000 1.146 212 F HN 0.158 nan 8.300 nan 0.000 0.522 213 Y N 4.998 125.409 120.300 0.185 0.000 2.442 213 Y HA 0.478 5.040 4.550 0.019 0.000 0.330 213 Y C -2.853 173.255 175.900 0.347 0.000 1.100 213 Y CA -2.659 55.596 58.100 0.258 0.000 1.034 213 Y CB 2.323 40.709 38.460 -0.123 0.000 1.285 213 Y HN 0.503 nan 8.280 nan 0.000 0.440 214 P HA 0.119 nan 4.420 nan 0.000 0.286 214 P C -0.019 177.402 177.300 0.202 0.000 1.293 214 P CA -0.137 62.627 63.100 -0.559 0.000 0.770 214 P CB 1.435 32.830 31.700 -0.510 0.000 1.206 215 K N -0.032 120.397 120.400 0.049 0.000 2.026 215 K HA -0.014 4.321 4.320 0.024 0.000 0.208 215 K C -1.158 175.491 176.600 0.083 0.000 1.048 215 K CA 0.810 57.041 56.287 -0.093 0.000 0.929 215 K CB -1.698 30.459 32.500 -0.572 0.000 0.713 215 K HN 0.411 nan 8.250 nan 0.000 0.439 216 P HA -0.079 nan 4.420 nan 0.000 0.258 216 P C -0.962 176.360 177.300 0.036 0.000 1.172 216 P CA 0.506 63.592 63.100 -0.024 0.000 0.762 216 P CB 0.990 32.652 31.700 -0.065 0.000 0.764 217 V N 5.169 125.053 119.914 -0.049 0.000 3.012 217 V HA 0.644 4.779 4.120 0.024 0.000 0.307 217 V C -2.081 173.975 176.094 -0.063 0.000 1.166 217 V CA -0.824 61.392 62.300 -0.139 0.000 0.974 217 V CB 2.394 33.834 31.823 -0.639 0.000 1.040 217 V HN 0.561 nan 8.190 nan 0.000 0.428 218 W N 5.945 127.110 121.300 -0.224 0.000 2.538 218 W HA 0.794 5.466 4.660 0.021 0.000 0.322 218 W C -1.582 174.797 176.519 -0.234 0.000 1.028 218 W CA -0.404 56.822 57.345 -0.199 0.000 1.228 218 W CB 1.813 31.185 29.460 -0.147 0.000 1.356 218 W HN 0.525 nan 8.180 nan 0.000 0.452 219 V N 7.967 127.377 119.914 -0.841 0.000 2.638 219 V HA 0.640 4.774 4.120 0.024 0.000 0.306 219 V C -0.614 174.786 176.094 -1.156 0.000 1.052 219 V CA -0.827 60.950 62.300 -0.872 0.000 0.885 219 V CB 1.530 32.992 31.823 -0.601 0.000 0.999 219 V HN 0.635 nan 8.190 nan 0.000 0.424 220 M N 3.961 122.902 119.600 -1.099 0.000 2.520 220 M HA 0.592 5.086 4.480 0.024 0.000 0.280 220 M C -2.347 173.622 176.300 -0.552 0.000 1.232 220 M CA -0.194 54.615 55.300 -0.818 0.000 0.892 220 M CB 2.258 34.284 32.600 -0.956 0.000 1.728 220 M HN 0.575 nan 8.290 nan 0.000 0.475 221 W N 4.462 125.597 121.300 -0.276 0.000 2.376 221 W HA 0.687 5.364 4.660 0.029 0.000 0.322 221 W C -0.588 175.858 176.519 -0.122 0.000 1.160 221 W CA -0.396 56.836 57.345 -0.188 0.000 1.218 221 W CB 1.263 30.616 29.460 -0.178 0.000 1.205 221 W HN 0.334 nan 8.180 nan 0.000 0.559 222 M N 2.712 122.432 119.600 0.200 0.000 2.572 222 M HA 0.382 4.877 4.480 0.024 0.000 0.299 222 M C -0.821 175.552 176.300 0.122 0.000 1.205 222 M CA -1.121 54.248 55.300 0.115 0.000 0.876 222 M CB 2.488 35.119 32.600 0.051 0.000 1.728 222 M HN 0.411 nan 8.290 nan 0.000 0.458 223 R N 0.436 120.992 120.500 0.094 0.000 2.320 223 R HA 0.533 4.887 4.340 0.024 0.000 0.319 223 R C 0.640 176.994 176.300 0.091 0.000 0.969 223 R CA 0.835 56.992 56.100 0.095 0.000 0.857 223 R CB 0.597 30.943 30.300 0.077 0.000 1.160 223 R HN 0.980 nan 8.270 nan 0.000 0.491 224 G N 3.484 112.348 108.800 0.107 0.000 2.601 224 G HA2 -0.402 3.572 3.960 0.024 0.000 0.306 224 G HA3 -0.402 3.572 3.960 0.024 0.000 0.306 224 G C 0.512 175.459 174.900 0.078 0.000 1.172 224 G CA 0.583 45.745 45.100 0.103 0.000 0.966 224 G HN 0.669 nan 8.290 nan 0.000 0.542 225 E N 1.062 121.302 120.200 0.066 0.000 2.431 225 E HA 0.161 4.526 4.350 0.024 0.000 0.200 225 E C 0.866 177.503 176.600 0.062 0.000 0.995 225 E CA -0.069 56.364 56.400 0.056 0.000 0.915 225 E CB 0.271 29.993 29.700 0.036 0.000 0.930 225 E HN 0.586 nan 8.360 nan 0.000 0.496 226 Q N 2.420 122.257 119.800 0.062 0.000 2.263 226 Q HA 0.029 4.384 4.340 0.024 0.000 0.270 226 Q C -0.501 175.547 176.000 0.081 0.000 1.104 226 Q CA 0.262 56.102 55.803 0.062 0.000 0.909 226 Q CB 0.372 29.140 28.738 0.050 0.000 1.214 226 Q HN 0.197 nan 8.270 nan 0.000 0.400 227 E N 2.753 123.012 120.200 0.098 0.000 2.452 227 E HA -0.073 4.291 4.350 0.024 0.000 0.261 227 E C -0.325 176.316 176.600 0.069 0.000 0.987 227 E CA 0.156 56.620 56.400 0.107 0.000 0.926 227 E CB 0.455 30.237 29.700 0.137 0.000 0.934 227 E HN 0.331 nan 8.360 nan 0.000 0.452 228 Q N 2.642 122.482 119.800 0.066 0.000 2.331 228 Q HA 0.010 4.365 4.340 0.024 0.000 0.257 228 Q C 0.892 176.902 176.000 0.016 0.000 0.957 228 Q CA -0.065 55.760 55.803 0.036 0.000 0.923 228 Q CB 1.344 30.106 28.738 0.041 0.000 1.212 228 Q HN 0.626 nan 8.270 nan 0.000 0.443 229 Q N 1.228 121.028 119.800 0.001 0.000 2.224 229 Q HA -0.076 4.279 4.340 0.024 0.000 0.203 229 Q C 1.302 177.287 176.000 -0.025 0.000 0.970 229 Q CA 1.459 57.258 55.803 -0.007 0.000 0.865 229 Q CB -0.214 28.520 28.738 -0.007 0.000 0.922 229 Q HN 0.740 nan 8.270 nan 0.000 0.445 230 G N 1.159 109.935 108.800 -0.041 0.000 2.498 230 G HA2 -0.120 3.854 3.960 0.024 0.000 0.219 230 G HA3 -0.120 3.854 3.960 0.024 0.000 0.219 230 G C 0.400 175.262 174.900 -0.063 0.000 1.119 230 G CA 0.503 45.565 45.100 -0.063 0.000 0.766 230 G HN 0.329 nan 8.290 nan 0.000 0.552 231 T N 1.632 116.164 114.554 -0.037 0.000 2.866 231 T HA 0.196 4.561 4.350 0.024 0.000 0.293 231 T C 0.037 174.712 174.700 -0.042 0.000 1.005 231 T CA 0.625 62.721 62.100 -0.006 0.000 1.162 231 T CB 0.658 69.548 68.868 0.037 0.000 0.968 231 T HN 0.330 nan 8.240 nan 0.000 0.530 232 Q N 2.333 122.107 119.800 -0.044 0.000 2.322 232 Q HA 0.429 4.784 4.340 0.024 0.000 0.265 232 Q C -1.095 174.856 176.000 -0.081 0.000 0.985 232 Q CA -1.077 54.688 55.803 -0.062 0.000 0.849 232 Q CB 1.508 30.212 28.738 -0.056 0.000 1.274 232 Q HN 0.321 nan 8.270 nan 0.000 0.449 233 L N 2.174 123.332 121.223 -0.108 0.000 2.275 233 L HA 0.429 4.783 4.340 0.024 0.000 0.288 233 L C 0.923 177.725 176.870 -0.112 0.000 1.046 233 L CA 0.228 54.981 54.840 -0.144 0.000 0.805 233 L CB 0.884 42.835 42.059 -0.180 0.000 1.193 233 L HN 0.733 nan 8.230 nan 0.000 0.426 234 G N 2.337 111.068 108.800 -0.116 0.000 2.570 234 G HA2 0.177 4.152 3.960 0.024 0.000 0.276 234 G HA3 0.177 4.152 3.960 0.024 0.000 0.276 234 G C -0.328 174.524 174.900 -0.080 0.000 1.346 234 G CA -0.586 44.468 45.100 -0.076 0.000 1.034 234 G HN 0.629 nan 8.290 nan 0.000 0.512 235 D N -0.537 119.832 120.400 -0.052 0.000 2.283 235 D HA 0.158 4.812 4.640 0.024 0.000 0.248 235 D C 0.139 176.389 176.300 -0.084 0.000 1.072 235 D CA 0.014 53.974 54.000 -0.067 0.000 0.929 235 D CB 1.970 42.746 40.800 -0.042 0.000 1.182 235 D HN 0.095 nan 8.370 nan 0.000 0.433 236 I N 2.244 122.753 120.570 -0.102 0.000 2.406 236 I HA 0.035 4.220 4.170 0.024 0.000 0.293 236 I C 0.134 176.235 176.117 -0.026 0.000 1.101 236 I CA -0.037 61.221 61.300 -0.070 0.000 1.334 236 I CB -0.069 37.821 38.000 -0.183 0.000 1.421 236 I HN 0.043 nan 8.210 nan 0.000 0.513 237 L N 8.895 130.136 121.223 0.030 0.000 2.344 237 L HA 0.560 4.915 4.340 0.024 0.000 0.272 237 L C -2.242 174.759 176.870 0.218 0.000 1.035 237 L CA -1.996 52.810 54.840 -0.056 0.000 0.807 237 L CB 0.952 42.799 42.059 -0.353 0.000 1.237 237 L HN 0.331 nan 8.230 nan 0.000 0.442 238 P HA 0.191 nan 4.420 nan 0.000 0.282 238 P C -1.210 176.100 177.300 0.017 0.000 1.249 238 P CA -0.471 62.596 63.100 -0.054 0.000 0.806 238 P CB 0.982 32.649 31.700 -0.056 0.000 0.984 239 N N 0.312 118.911 118.700 -0.169 0.000 2.478 239 N HA 0.309 5.063 4.740 0.024 0.000 0.275 239 N C 1.506 176.792 175.510 -0.374 0.000 1.221 239 N CA -0.439 52.501 53.050 -0.182 0.000 0.979 239 N CB 0.851 39.215 38.487 -0.205 0.000 1.202 239 N HN 0.321 nan 8.380 nan 0.000 0.564 240 A N 0.713 123.144 122.820 -0.649 0.000 1.859 240 A HA -0.170 4.165 4.320 0.024 0.000 0.217 240 A C 0.946 178.145 177.584 -0.641 0.000 1.198 240 A CA 1.534 52.894 52.037 -1.129 0.000 0.629 240 A CB -0.339 17.676 19.000 -1.642 0.000 0.830 240 A HN 0.610 nan 8.150 nan 0.000 0.446 241 Q N -0.954 118.541 119.800 -0.509 0.000 2.399 241 Q HA 0.349 4.703 4.340 0.024 0.000 0.307 241 Q C 0.934 176.771 176.000 -0.272 0.000 0.933 241 Q CA 0.578 56.187 55.803 -0.324 0.000 0.995 241 Q CB -0.224 28.358 28.738 -0.261 0.000 1.191 241 Q HN 1.051 nan 8.270 nan 0.000 0.426 242 G N 0.574 109.177 108.800 -0.327 0.000 2.241 242 G HA2 -0.345 3.629 3.960 0.024 0.000 0.244 242 G HA3 -0.345 3.629 3.960 0.024 0.000 0.244 242 G C 0.682 175.261 174.900 -0.535 0.000 0.998 242 G CA 0.569 45.439 45.100 -0.383 0.000 0.621 242 G HN 0.550 nan 8.290 nan 0.000 0.519 243 T N -2.099 112.206 114.554 -0.415 0.000 2.715 243 T HA 0.497 4.862 4.350 0.024 0.000 0.320 243 T C 0.344 174.580 174.700 -0.773 0.000 1.046 243 T CA 0.264 62.049 62.100 -0.525 0.000 0.983 243 T CB 1.003 69.696 68.868 -0.291 0.000 1.183 243 T HN 0.505 nan 8.240 nan 0.000 0.522 244 W N -0.925 120.085 121.300 -0.483 0.000 2.736 244 W HA 0.623 5.297 4.660 0.023 0.000 0.355 244 W C -1.031 175.088 176.519 -0.667 0.000 1.102 244 W CA -1.125 55.803 57.345 -0.695 0.000 1.164 244 W CB 1.305 30.087 29.460 -1.129 0.000 1.422 244 W HN 0.756 nan 8.180 nan 0.000 0.572 245 Y N 2.634 122.865 120.300 -0.114 0.000 2.442 245 Y HA 0.684 5.246 4.550 0.019 0.000 0.344 245 Y C -1.669 174.271 175.900 0.067 0.000 0.976 245 Y CA -1.334 56.762 58.100 -0.007 0.000 1.040 245 Y CB 1.250 39.642 38.460 -0.114 0.000 1.228 245 Y HN 0.358 nan 8.280 nan 0.000 0.451 246 L N 6.443 127.380 121.223 -0.477 0.000 2.434 246 L HA 0.704 5.058 4.340 0.024 0.000 0.260 246 L C -1.786 174.613 176.870 -0.785 0.000 0.983 246 L CA -0.697 53.868 54.840 -0.459 0.000 0.820 246 L CB 2.192 44.159 42.059 -0.152 0.000 1.361 246 L HN 0.780 nan 8.230 nan 0.000 0.410 247 R N 3.642 123.810 120.500 -0.552 0.000 2.628 247 R HA 0.960 5.314 4.340 0.024 0.000 0.288 247 R C -1.500 174.603 176.300 -0.328 0.000 0.980 247 R CA -0.686 55.108 56.100 -0.510 0.000 0.891 247 R CB 1.754 31.730 30.300 -0.540 0.000 1.188 247 R HN 0.758 nan 8.270 nan 0.000 0.450 248 A N 2.071 124.703 122.820 -0.314 0.000 2.304 248 A HA 0.615 4.949 4.320 0.024 0.000 0.323 248 A C -0.144 177.485 177.584 0.075 0.000 1.195 248 A CA -0.600 51.339 52.037 -0.163 0.000 0.826 248 A CB 1.354 20.196 19.000 -0.263 0.000 1.184 248 A HN 0.882 nan 8.150 nan 0.000 0.496 249 T N -0.629 113.969 114.554 0.073 0.000 2.942 249 T HA 0.768 5.133 4.350 0.024 0.000 0.289 249 T C -0.871 173.766 174.700 -0.104 0.000 1.044 249 T CA -0.736 61.387 62.100 0.037 0.000 1.023 249 T CB 1.392 70.221 68.868 -0.065 0.000 1.123 249 T HN 1.126 nan 8.240 nan 0.000 0.512 250 L N 1.732 122.725 121.223 -0.383 0.000 2.526 250 L HA 0.461 4.816 4.340 0.024 0.000 0.263 250 L C -1.619 174.973 176.870 -0.462 0.000 0.943 250 L CA -0.463 54.074 54.840 -0.505 0.000 0.859 250 L CB 2.183 43.664 42.059 -0.964 0.000 1.313 250 L HN 0.984 nan 8.230 nan 0.000 0.406 251 D N 4.276 124.487 120.400 -0.315 0.000 2.193 251 D HA 0.502 5.157 4.640 0.024 0.000 0.244 251 D C -1.231 174.910 176.300 -0.265 0.000 1.064 251 D CA -0.370 53.471 54.000 -0.264 0.000 0.845 251 D CB 2.440 43.138 40.800 -0.170 0.000 1.148 251 D HN 0.393 nan 8.370 nan 0.000 0.464 252 V N 1.136 120.887 119.914 -0.272 0.000 3.012 252 V HA 0.588 4.723 4.120 0.024 0.000 0.307 252 V C -0.621 175.373 176.094 -0.166 0.000 1.166 252 V CA -0.565 61.593 62.300 -0.236 0.000 0.974 252 V CB 1.856 33.483 31.823 -0.326 0.000 1.040 252 V HN 0.970 nan 8.190 nan 0.000 0.428 253 A N 3.345 126.097 122.820 -0.112 0.000 2.466 253 A HA 0.247 4.582 4.320 0.024 0.000 0.238 253 A C 1.095 178.649 177.584 -0.050 0.000 1.074 253 A CA 0.663 52.659 52.037 -0.069 0.000 0.774 253 A CB -0.061 18.911 19.000 -0.047 0.000 1.015 253 A HN 1.030 nan 8.150 nan 0.000 0.498 254 D N 1.961 122.345 120.400 -0.026 0.000 2.177 254 D HA -0.180 4.475 4.640 0.024 0.000 0.189 254 D C 1.996 178.326 176.300 0.049 0.000 1.002 254 D CA 2.452 56.454 54.000 0.002 0.000 0.845 254 D CB -0.434 40.356 40.800 -0.017 0.000 0.960 254 D HN 0.696 nan 8.370 nan 0.000 0.447 255 G N -0.410 108.409 108.800 0.032 0.000 2.848 255 G HA2 -0.109 3.866 3.960 0.024 0.000 0.208 255 G HA3 -0.109 3.866 3.960 0.024 0.000 0.208 255 G C 1.039 175.990 174.900 0.085 0.000 1.152 255 G CA 0.088 45.226 45.100 0.063 0.000 0.789 255 G HN 0.327 nan 8.290 nan 0.000 0.531 256 E N 0.010 120.240 120.200 0.049 0.000 2.481 256 E HA 0.312 4.677 4.350 0.024 0.000 0.198 256 E C 2.377 178.985 176.600 0.012 0.000 1.027 256 E CA 0.152 56.568 56.400 0.027 0.000 0.900 256 E CB 0.547 30.238 29.700 -0.014 0.000 0.993 256 E HN 0.320 nan 8.360 nan 0.000 0.482 257 A N 2.020 124.863 122.820 0.039 0.000 1.877 257 A HA 0.057 4.391 4.320 0.024 0.000 0.216 257 A C 1.658 179.281 177.584 0.064 0.000 1.186 257 A CA 0.923 52.917 52.037 -0.070 0.000 0.620 257 A CB -0.424 18.539 19.000 -0.061 0.000 0.822 257 A HN 0.269 nan 8.150 nan 0.000 0.443 258 A N -1.159 121.773 122.820 0.187 0.000 2.566 258 A HA 0.411 4.746 4.320 0.024 0.000 0.245 258 A C 1.594 179.298 177.584 0.201 0.000 1.056 258 A CA 0.857 53.018 52.037 0.206 0.000 0.757 258 A CB -0.857 18.272 19.000 0.215 0.000 0.979 258 A HN 2.175 nan 8.150 nan 0.000 0.508 259 G N 1.412 110.378 108.800 0.276 0.000 2.213 259 G HA2 -0.182 3.792 3.960 0.024 0.000 0.226 259 G HA3 -0.182 3.792 3.960 0.024 0.000 0.226 259 G C 0.168 175.258 174.900 0.316 0.000 0.992 259 G CA 0.066 45.351 45.100 0.309 0.000 0.632 259 G HN 0.802 nan 8.290 nan 0.000 0.511 260 L N 2.041 123.417 121.223 0.255 0.000 2.426 260 L HA 0.561 4.916 4.340 0.024 0.000 0.271 260 L C 0.973 178.027 176.870 0.306 0.000 1.169 260 L CA 0.456 55.435 54.840 0.232 0.000 0.836 260 L CB 1.329 43.440 42.059 0.087 0.000 1.112 260 L HN 0.513 nan 8.230 nan 0.000 0.465 261 S N 1.592 117.386 115.700 0.158 0.000 2.595 261 S HA 0.422 4.907 4.470 0.024 0.000 0.281 261 S C -0.884 173.529 174.600 -0.312 0.000 1.117 261 S CA -0.960 57.128 58.200 -0.186 0.000 0.873 261 S CB 1.794 64.451 63.200 -0.904 0.000 1.108 261 S HN 0.664 nan 8.310 nan 0.000 0.477 262 c N 2.353 120.553 118.600 -0.665 0.000 2.273 262 c HA 0.672 5.256 4.570 0.024 0.000 0.328 262 c C 0.085 173.877 174.090 -0.496 0.000 1.275 262 c CA -0.405 55.363 56.329 -0.935 0.000 1.704 262 c CB -0.823 40.984 42.510 -1.172 0.000 2.326 262 c HN 0.943 nan 8.230 nan 0.000 0.517 263 R N 4.242 124.510 120.500 -0.387 0.000 2.346 263 R HA 0.684 5.039 4.340 0.024 0.000 0.311 263 R C -1.164 175.045 176.300 -0.151 0.000 0.983 263 R CA -0.462 55.550 56.100 -0.146 0.000 0.880 263 R CB 1.792 32.162 30.300 0.116 0.000 1.100 263 R HN 0.610 nan 8.270 nan 0.000 0.453 264 V N 3.934 123.812 119.914 -0.059 0.000 2.444 264 V HA 0.329 4.464 4.120 0.024 0.000 0.294 264 V C -0.364 175.770 176.094 0.067 0.000 1.022 264 V CA -0.814 61.441 62.300 -0.075 0.000 0.850 264 V CB 1.647 33.387 31.823 -0.140 0.000 0.992 264 V HN 0.659 nan 8.190 nan 0.000 0.426 265 K N 4.164 124.660 120.400 0.160 0.000 2.274 265 K HA 0.618 4.953 4.320 0.024 0.000 0.262 265 K C -0.958 175.702 176.600 0.102 0.000 0.961 265 K CA -0.703 55.664 56.287 0.134 0.000 0.833 265 K CB 1.781 34.371 32.500 0.149 0.000 1.102 265 K HN 0.781 nan 8.250 nan 0.000 0.436 266 H N 0.733 119.770 119.070 -0.055 0.000 3.038 266 H HA 0.016 4.587 4.556 0.024 0.000 0.362 266 H C 0.669 175.974 175.328 -0.039 0.000 1.167 266 H CA -0.198 55.809 56.048 -0.069 0.000 1.197 266 H CB 1.899 31.611 29.762 -0.084 0.000 1.840 266 H HN 0.723 nan 8.280 nan 0.000 0.540 267 S N 2.249 117.625 115.700 -0.540 0.000 2.399 267 S HA -0.302 4.182 4.470 0.024 0.000 0.235 267 S C 1.956 176.438 174.600 -0.196 0.000 1.063 267 S CA 2.091 60.067 58.200 -0.374 0.000 1.070 267 S CB -0.712 62.224 63.200 -0.440 0.000 0.904 267 S HN 0.642 nan 8.310 nan 0.000 0.456 268 S N 2.071 117.701 115.700 -0.117 0.000 2.474 268 S HA 0.147 4.631 4.470 0.024 0.000 0.235 268 S C 1.618 176.268 174.600 0.084 0.000 0.997 268 S CA 0.752 59.005 58.200 0.089 0.000 0.949 268 S CB -0.787 62.583 63.200 0.282 0.000 0.766 268 S HN 0.555 nan 8.310 nan 0.000 0.517 269 L N 0.594 121.862 121.223 0.075 0.000 2.554 269 L HA 0.156 4.510 4.340 0.024 0.000 0.226 269 L C 0.344 177.228 176.870 0.024 0.000 1.137 269 L CA 0.335 55.211 54.840 0.059 0.000 0.863 269 L CB -0.826 41.271 42.059 0.064 0.000 0.985 269 L HN 0.255 nan 8.230 nan 0.000 0.451 270 E N -0.738 119.463 120.200 0.002 0.000 2.637 270 E HA -0.253 4.111 4.350 0.024 0.000 0.265 270 E C 1.128 177.720 176.600 -0.013 0.000 1.073 270 E CA 0.443 56.838 56.400 -0.008 0.000 0.778 270 E CB -1.963 27.739 29.700 0.003 0.000 1.362 270 E HN 0.577 nan 8.360 nan 0.000 0.413 271 G N -0.276 108.511 108.800 -0.021 0.000 2.220 271 G HA2 -0.469 3.505 3.960 0.024 0.000 0.269 271 G HA3 -0.469 3.505 3.960 0.024 0.000 0.269 271 G C 0.241 175.132 174.900 -0.015 0.000 0.977 271 G CA 0.560 45.643 45.100 -0.029 0.000 0.634 271 G HN 0.446 nan 8.290 nan 0.000 0.539 272 Q N 1.463 121.263 119.800 0.001 0.000 2.490 272 Q HA 0.329 4.684 4.340 0.024 0.000 0.226 272 Q C -0.476 175.537 176.000 0.021 0.000 1.132 272 Q CA -0.599 55.211 55.803 0.012 0.000 0.928 272 Q CB 0.186 28.935 28.738 0.018 0.000 1.299 272 Q HN 0.411 nan 8.270 nan 0.000 0.528 273 D N 2.641 123.051 120.400 0.018 0.000 2.378 273 D HA 0.079 4.733 4.640 0.024 0.000 0.238 273 D C 0.163 176.482 176.300 0.031 0.000 1.180 273 D CA 0.366 54.381 54.000 0.026 0.000 0.895 273 D CB 0.764 41.580 40.800 0.027 0.000 1.192 273 D HN 0.501 nan 8.370 nan 0.000 0.438 274 I N 1.753 122.337 120.570 0.022 0.000 2.325 274 I HA 0.163 4.348 4.170 0.024 0.000 0.291 274 I C -0.030 176.081 176.117 -0.010 0.000 1.019 274 I CA -0.484 60.826 61.300 0.016 0.000 1.302 274 I CB 0.565 38.569 38.000 0.006 0.000 1.401 274 I HN -0.020 nan 8.210 nan 0.000 0.485 275 I N 7.549 128.128 120.570 0.014 0.000 2.404 275 I HA 0.489 4.674 4.170 0.024 0.000 0.293 275 I C -0.270 175.851 176.117 0.006 0.000 0.992 275 I CA -0.561 60.727 61.300 -0.019 0.000 1.149 275 I CB 1.657 39.694 38.000 0.061 0.000 1.315 275 I HN 0.444 nan 8.210 nan 0.000 0.446 276 L N 6.155 127.316 121.223 -0.104 0.000 2.410 276 L HA 0.447 4.802 4.340 0.024 0.000 0.270 276 L C -1.332 175.510 176.870 -0.046 0.000 0.983 276 L CA -0.721 54.123 54.840 0.007 0.000 0.822 276 L CB 2.443 44.504 42.059 0.002 0.000 1.285 276 L HN 0.410 nan 8.230 nan 0.000 0.409 277 Y N 1.599 121.986 120.300 0.144 0.000 2.331 277 Y HA 0.178 4.741 4.550 0.022 0.000 0.338 277 Y C -0.036 176.010 175.900 0.243 0.000 0.992 277 Y CA -0.292 57.935 58.100 0.211 0.000 1.121 277 Y CB 1.689 40.247 38.460 0.164 0.000 1.184 277 Y HN 0.534 nan 8.280 nan 0.000 0.469 278 W N 6.964 128.426 121.300 0.270 0.000 2.417 278 W HA 0.030 4.704 4.660 0.024 0.000 0.332 278 W C -0.711 175.859 176.519 0.085 0.000 1.413 278 W CA 0.652 58.070 57.345 0.122 0.000 1.299 278 W CB 0.166 29.658 29.460 0.053 0.000 1.304 278 W HN 0.804 nan 8.180 nan 0.000 0.565 279 H N 2.440 121.080 119.070 -0.717 0.000 2.797 279 H HA 0.443 5.013 4.556 0.022 0.000 0.372 279 H C -0.342 174.574 175.328 -0.687 0.000 1.168 279 H CA -0.874 54.873 56.048 -0.502 0.000 1.163 279 H CB 1.057 30.693 29.762 -0.211 0.000 1.778 279 H HN 0.290 nan 8.280 nan 0.000 0.551 1001 I N 0.904 121.485 120.570 0.019 0.000 3.210 1001 I HA 0.398 4.582 4.170 0.024 0.000 0.316 1001 I C 0.208 176.382 176.117 0.095 0.000 1.067 1001 I CA -0.387 60.933 61.300 0.034 0.000 1.047 1001 I CB 1.274 39.268 38.000 -0.009 0.000 1.352 1001 I HN 0.308 nan 8.210 nan 0.000 0.565 1002 Q N 2.483 122.348 119.800 0.108 0.000 2.333 1002 Q HA 0.597 4.952 4.340 0.024 0.000 0.267 1002 Q C -1.223 174.886 176.000 0.182 0.000 1.012 1002 Q CA -0.643 55.273 55.803 0.188 0.000 0.824 1002 Q CB 1.954 30.795 28.738 0.171 0.000 1.290 1002 Q HN 0.384 nan 8.270 nan 0.000 0.449 1003 R N 0.826 121.487 120.500 0.267 0.000 2.670 1003 R HA 0.471 4.826 4.340 0.024 0.000 0.289 1003 R C -0.765 175.651 176.300 0.194 0.000 0.965 1003 R CA -0.690 55.533 56.100 0.206 0.000 0.899 1003 R CB 2.199 32.607 30.300 0.179 0.000 1.173 1003 R HN 0.365 nan 8.270 nan 0.000 0.456 1004 T N 3.997 118.624 114.554 0.122 0.000 2.806 1004 T HA 0.304 4.668 4.350 0.024 0.000 0.290 1004 T C -2.270 172.454 174.700 0.041 0.000 0.966 1004 T CA -1.889 60.248 62.100 0.061 0.000 1.060 1004 T CB 0.842 69.753 68.868 0.071 0.000 0.927 1004 T HN 0.272 nan 8.240 nan 0.000 0.485 1005 P HA 0.153 nan 4.420 nan 0.000 0.268 1005 P C -0.608 176.723 177.300 0.052 0.000 1.205 1005 P CA -0.161 62.946 63.100 0.012 0.000 0.771 1005 P CB 0.462 32.046 31.700 -0.193 0.000 0.858 1006 K N 3.119 123.584 120.400 0.108 0.000 2.156 1006 K HA 0.484 4.818 4.320 0.024 0.000 0.271 1006 K C -0.729 175.938 176.600 0.110 0.000 0.995 1006 K CA -0.687 55.664 56.287 0.106 0.000 0.890 1006 K CB 0.430 33.008 32.500 0.131 0.000 1.073 1006 K HN 0.389 nan 8.250 nan 0.000 0.454 1007 I N 3.805 124.440 120.570 0.107 0.000 2.418 1007 I HA 0.212 4.397 4.170 0.024 0.000 0.287 1007 I C -0.793 175.432 176.117 0.179 0.000 1.008 1007 I CA -0.619 60.752 61.300 0.118 0.000 1.104 1007 I CB 2.026 40.061 38.000 0.059 0.000 1.264 1007 I HN 0.491 nan 8.210 nan 0.000 0.438 1008 Q N 5.301 125.261 119.800 0.267 0.000 2.330 1008 Q HA 0.653 5.008 4.340 0.024 0.000 0.269 1008 Q C -1.297 174.925 176.000 0.369 0.000 1.022 1008 Q CA -0.783 55.225 55.803 0.342 0.000 0.796 1008 Q CB 3.367 32.356 28.738 0.419 0.000 1.271 1008 Q HN 0.406 nan 8.270 nan 0.000 0.450 1009 V N 3.649 123.762 119.914 0.332 0.000 2.448 1009 V HA 0.615 4.750 4.120 0.024 0.000 0.295 1009 V C -1.103 175.226 176.094 0.392 0.000 1.025 1009 V CA -0.770 61.674 62.300 0.240 0.000 0.859 1009 V CB 0.448 32.413 31.823 0.237 0.000 0.988 1009 V HN 0.729 nan 8.190 nan 0.000 0.431 1010 Y N 1.667 122.043 120.300 0.127 0.000 2.521 1010 Y HA 0.742 5.304 4.550 0.020 0.000 0.332 1010 Y C -0.178 175.723 175.900 0.001 0.000 1.121 1010 Y CA -1.074 57.084 58.100 0.097 0.000 1.037 1010 Y CB 1.120 39.352 38.460 -0.380 0.000 1.330 1010 Y HN 0.590 nan 8.280 nan 0.000 0.452 1011 S N 2.345 118.255 115.700 0.349 0.000 2.632 1011 S HA 0.393 4.878 4.470 0.024 0.000 0.271 1011 S C 0.712 175.508 174.600 0.327 0.000 1.260 1011 S CA -0.558 57.761 58.200 0.198 0.000 1.010 1011 S CB 1.883 65.264 63.200 0.301 0.000 0.965 1011 S HN 1.032 nan 8.310 nan 0.000 0.534 1012 R N 0.272 120.851 120.500 0.132 0.000 2.210 1012 R HA 0.111 4.466 4.340 0.024 0.000 0.203 1012 R C -0.093 176.108 176.300 -0.165 0.000 1.010 1012 R CA 0.440 56.550 56.100 0.017 0.000 1.008 1012 R CB 0.006 30.165 30.300 -0.234 0.000 0.923 1012 R HN 0.783 nan 8.270 nan 0.000 0.469 1013 H N -0.543 118.539 119.070 0.019 0.000 2.834 1013 H HA 0.390 4.967 4.556 0.036 0.000 0.369 1013 H C -2.509 172.152 175.328 -1.111 0.000 1.174 1013 H CA -2.845 52.990 56.048 -0.356 0.000 1.165 1013 H CB 1.279 30.939 29.762 -0.172 0.000 1.820 1013 H HN -0.094 nan 8.280 nan 0.000 0.558 1014 P HA -0.004 nan 4.420 nan 0.000 0.267 1014 P C -0.639 176.308 177.300 -0.587 0.000 1.195 1014 P CA 0.132 62.374 63.100 -1.430 0.000 0.773 1014 P CB 0.392 31.701 31.700 -0.652 0.000 0.837 1015 A N 2.231 124.860 122.820 -0.320 0.000 2.302 1015 A HA 0.288 4.622 4.320 0.024 0.000 0.295 1015 A C 0.077 177.643 177.584 -0.030 0.000 1.235 1015 A CA -0.073 51.963 52.037 -0.001 0.000 0.876 1015 A CB -0.356 18.870 19.000 0.376 0.000 1.133 1015 A HN 0.549 nan 8.150 nan 0.000 0.533 1016 E N 3.517 123.673 120.200 -0.073 0.000 2.255 1016 E HA 0.150 4.515 4.350 0.024 0.000 0.256 1016 E C -0.839 175.723 176.600 -0.064 0.000 0.887 1016 E CA -0.819 55.546 56.400 -0.057 0.000 0.782 1016 E CB 0.605 30.257 29.700 -0.079 0.000 1.214 1016 E HN 0.771 nan 8.360 nan 0.000 0.417 1017 N N 2.608 121.296 118.700 -0.020 0.000 2.294 1017 N HA -0.044 4.710 4.740 0.024 0.000 0.263 1017 N C 0.970 176.451 175.510 -0.049 0.000 1.281 1017 N CA 1.638 54.678 53.050 -0.018 0.000 0.846 1017 N CB 0.915 39.413 38.487 0.018 0.000 1.061 1017 N HN 0.943 nan 8.380 nan 0.000 0.478 1018 G N 0.925 109.681 108.800 -0.073 0.000 2.241 1018 G HA2 -0.323 3.651 3.960 0.024 0.000 0.244 1018 G HA3 -0.323 3.651 3.960 0.024 0.000 0.244 1018 G C 0.235 175.065 174.900 -0.115 0.000 0.998 1018 G CA 0.690 45.743 45.100 -0.078 0.000 0.621 1018 G HN 0.704 nan 8.290 nan 0.000 0.519 1019 K N 1.379 121.694 120.400 -0.143 0.000 2.143 1019 K HA 0.677 5.011 4.320 0.024 0.000 0.272 1019 K C 0.437 176.889 176.600 -0.247 0.000 1.001 1019 K CA 0.186 56.374 56.287 -0.166 0.000 0.915 1019 K CB 1.304 33.718 32.500 -0.143 0.000 1.047 1019 K HN 0.135 nan 8.250 nan 0.000 0.458 1020 S N 3.037 118.597 115.700 -0.234 0.000 2.565 1020 S HA 0.311 4.795 4.470 0.024 0.000 0.276 1020 S C -0.671 173.748 174.600 -0.300 0.000 1.326 1020 S CA -0.495 57.529 58.200 -0.294 0.000 1.045 1020 S CB 0.101 63.160 63.200 -0.234 0.000 0.918 1020 S HN 0.758 nan 8.310 nan 0.000 0.505 1021 N N 1.373 119.821 118.700 -0.419 0.000 2.934 1021 N HA 0.466 5.220 4.740 0.024 0.000 0.253 1021 N C -2.126 173.222 175.510 -0.271 0.000 1.466 1021 N CA -0.568 52.332 53.050 -0.249 0.000 0.858 1021 N CB 0.900 39.147 38.487 -0.399 0.000 1.459 1021 N HN 0.473 nan 8.380 nan 0.000 0.532 1022 F N 1.016 121.023 119.950 0.094 0.000 2.467 1022 F HA 0.484 5.019 4.527 0.012 0.000 0.336 1022 F C -0.018 175.729 175.800 -0.087 0.000 1.123 1022 F CA -0.723 57.305 58.000 0.046 0.000 0.964 1022 F CB 1.395 40.347 39.000 -0.080 0.000 1.136 1022 F HN 0.196 nan 8.300 nan 0.000 0.447 1023 L N 5.835 126.992 121.223 -0.111 0.000 2.257 1023 L HA 0.432 4.787 4.340 0.024 0.000 0.290 1023 L C -0.549 176.153 176.870 -0.281 0.000 1.044 1023 L CA -0.232 54.262 54.840 -0.577 0.000 0.810 1023 L CB 0.125 41.549 42.059 -1.057 0.000 1.193 1023 L HN 0.479 nan 8.230 nan 0.000 0.425 1024 N N 3.877 122.312 118.700 -0.441 0.000 2.443 1024 N HA 0.390 5.145 4.740 0.024 0.000 0.295 1024 N C -1.311 173.918 175.510 -0.469 0.000 1.076 1024 N CA -0.408 52.352 53.050 -0.482 0.000 0.919 1024 N CB 2.081 39.994 38.487 -0.957 0.000 1.176 1024 N HN 0.515 nan 8.380 nan 0.000 0.487 1025 c N 2.938 121.463 118.600 -0.125 0.000 2.397 1025 c HA 0.445 5.030 4.570 0.024 0.000 0.325 1025 c C -1.181 173.059 174.090 0.250 0.000 1.201 1025 c CA -0.710 55.632 56.329 0.023 0.000 1.377 1025 c CB -0.625 41.892 42.510 0.013 0.000 2.038 1025 c HN 0.753 nan 8.230 nan 0.000 0.457 1026 Y N 5.114 125.531 120.300 0.195 0.000 2.328 1026 Y HA 0.691 5.257 4.550 0.026 0.000 0.337 1026 Y C -0.693 175.365 175.900 0.263 0.000 0.966 1026 Y CA -0.505 57.775 58.100 0.300 0.000 1.136 1026 Y CB 1.458 40.154 38.460 0.393 0.000 1.170 1026 Y HN 0.508 nan 8.280 nan 0.000 0.470 1027 V N 6.664 126.520 119.914 -0.096 0.000 2.376 1027 V HA 0.606 4.741 4.120 0.024 0.000 0.287 1027 V C -0.718 175.403 176.094 0.045 0.000 1.015 1027 V CA -0.252 62.048 62.300 0.000 0.000 0.834 1027 V CB 0.952 32.781 31.823 0.009 0.000 1.001 1027 V HN 0.862 nan 8.190 nan 0.000 0.428 1028 S N 2.392 118.155 115.700 0.106 0.000 2.705 1028 S HA 0.837 5.322 4.470 0.024 0.000 0.280 1028 S C 0.601 175.339 174.600 0.230 0.000 1.174 1028 S CA -0.045 58.248 58.200 0.154 0.000 0.823 1028 S CB 1.755 64.948 63.200 -0.011 0.000 1.162 1028 S HN 2.110 nan 8.310 nan 0.000 0.487 1029 G N 0.202 109.086 108.800 0.140 0.000 2.153 1029 G HA2 -0.189 3.786 3.960 0.024 0.000 0.252 1029 G HA3 -0.189 3.786 3.960 0.024 0.000 0.252 1029 G C -0.224 174.771 174.900 0.159 0.000 0.994 1029 G CA 0.655 45.826 45.100 0.119 0.000 0.698 1029 G HN 1.663 nan 8.290 nan 0.000 0.521 1030 F N -1.185 118.821 119.950 0.094 0.000 2.470 1030 F HA 0.907 5.448 4.527 0.023 0.000 0.329 1030 F C -0.125 175.860 175.800 0.308 0.000 1.072 1030 F CA -1.878 56.155 58.000 0.056 0.000 0.989 1030 F CB 1.419 40.284 39.000 -0.225 0.000 1.193 1030 F HN 0.137 nan 8.300 nan 0.000 0.481 1031 H N 1.843 121.166 119.070 0.422 0.000 3.029 1031 H HA 0.410 4.981 4.556 0.024 0.000 0.358 1031 H C -2.801 172.849 175.328 0.537 0.000 1.129 1031 H CA -1.514 54.818 56.048 0.473 0.000 1.230 1031 H CB 2.923 32.824 29.762 0.232 0.000 1.827 1031 H HN 0.487 nan 8.280 nan 0.000 0.530 1032 P HA 0.032 nan 4.420 nan 0.000 0.297 1032 P C 0.490 177.907 177.300 0.196 0.000 1.303 1032 P CA -0.166 63.052 63.100 0.196 0.000 0.753 1032 P CB 0.826 32.583 31.700 0.095 0.000 1.281 1033 S N -2.531 113.038 115.700 -0.218 0.000 2.489 1033 S HA -0.059 4.426 4.470 0.024 0.000 0.228 1033 S C 0.649 175.198 174.600 -0.085 0.000 0.995 1033 S CA 0.352 58.224 58.200 -0.545 0.000 0.934 1033 S CB -1.033 61.508 63.200 -1.097 0.000 0.771 1033 S HN 0.393 nan 8.310 nan 0.000 0.522 1034 D N 1.105 121.467 120.400 -0.063 0.000 2.382 1034 D HA 0.493 5.148 4.640 0.024 0.000 0.259 1034 D C -0.615 175.654 176.300 -0.052 0.000 1.224 1034 D CA 0.231 54.186 54.000 -0.076 0.000 0.894 1034 D CB 0.192 40.922 40.800 -0.117 0.000 1.127 1034 D HN 0.468 nan 8.370 nan 0.000 0.487 1035 I N 1.836 122.366 120.570 -0.067 0.000 3.093 1035 I HA 0.323 4.507 4.170 0.024 0.000 0.308 1035 I C -1.495 174.545 176.117 -0.128 0.000 1.303 1035 I CA -0.630 60.605 61.300 -0.110 0.000 0.975 1035 I CB 1.913 39.717 38.000 -0.326 0.000 1.286 1035 I HN 0.210 nan 8.210 nan 0.000 0.459 1036 E N 4.398 124.510 120.200 -0.147 0.000 2.255 1036 E HA 0.469 4.833 4.350 0.024 0.000 0.256 1036 E C -1.694 174.787 176.600 -0.197 0.000 0.887 1036 E CA -0.543 55.775 56.400 -0.138 0.000 0.782 1036 E CB 2.495 32.134 29.700 -0.102 0.000 1.214 1036 E HN 0.289 nan 8.360 nan 0.000 0.417 1037 V N 3.926 123.686 119.914 -0.258 0.000 2.448 1037 V HA 0.366 4.501 4.120 0.024 0.000 0.295 1037 V C -0.399 175.440 176.094 -0.426 0.000 1.025 1037 V CA -0.740 61.292 62.300 -0.447 0.000 0.859 1037 V CB 1.806 33.151 31.823 -0.796 0.000 0.988 1037 V HN 0.575 nan 8.190 nan 0.000 0.431 1038 D N 4.231 124.449 120.400 -0.304 0.000 2.575 1038 D HA 0.536 5.190 4.640 0.024 0.000 0.236 1038 D C -0.725 175.482 176.300 -0.156 0.000 1.075 1038 D CA -0.416 53.477 54.000 -0.179 0.000 0.860 1038 D CB 3.037 43.787 40.800 -0.084 0.000 1.475 1038 D HN 0.276 nan 8.370 nan 0.000 0.474 1039 L N 1.499 122.684 121.223 -0.064 0.000 2.312 1039 L HA 0.454 4.809 4.340 0.024 0.000 0.281 1039 L C -0.227 176.652 176.870 0.015 0.000 1.070 1039 L CA -0.638 54.194 54.840 -0.015 0.000 0.805 1039 L CB 0.864 42.945 42.059 0.037 0.000 1.174 1039 L HN 0.127 nan 8.230 nan 0.000 0.434 1040 L N 3.797 125.036 121.223 0.027 0.000 2.346 1040 L HA 0.534 4.889 4.340 0.024 0.000 0.276 1040 L C -0.326 176.550 176.870 0.011 0.000 1.006 1040 L CA -0.634 54.214 54.840 0.014 0.000 0.817 1040 L CB 2.029 44.086 42.059 -0.003 0.000 1.272 1040 L HN 0.508 nan 8.230 nan 0.000 0.421 1041 K N 3.442 123.807 120.400 -0.059 0.000 2.425 1041 K HA 0.291 4.626 4.320 0.024 0.000 0.259 1041 K C -0.444 176.041 176.600 -0.192 0.000 0.978 1041 K CA -0.454 55.684 56.287 -0.249 0.000 0.883 1041 K CB 0.609 32.981 32.500 -0.214 0.000 1.110 1041 K HN 0.652 nan 8.250 nan 0.000 0.436 1042 N N 3.313 121.886 118.700 -0.211 0.000 2.740 1042 N HA -0.215 4.540 4.740 0.024 0.000 0.248 1042 N C 0.533 176.004 175.510 -0.065 0.000 1.062 1042 N CA 1.446 54.426 53.050 -0.117 0.000 0.704 1042 N CB -1.342 37.083 38.487 -0.103 0.000 0.968 1042 N HN 1.106 nan 8.380 nan 0.000 0.547 1043 G N -1.191 107.578 108.800 -0.052 0.000 2.225 1043 G HA2 -0.325 3.650 3.960 0.024 0.000 0.254 1043 G HA3 -0.325 3.650 3.960 0.024 0.000 0.254 1043 G C -0.141 174.742 174.900 -0.028 0.000 0.988 1043 G CA 0.662 45.744 45.100 -0.031 0.000 0.625 1043 G HN 0.562 nan 8.290 nan 0.000 0.527 1044 E N 0.230 120.409 120.200 -0.035 0.000 2.242 1044 E HA 0.496 4.861 4.350 0.024 0.000 0.275 1044 E C 0.421 177.012 176.600 -0.016 0.000 1.002 1044 E CA -0.914 55.472 56.400 -0.024 0.000 0.841 1044 E CB 1.229 30.916 29.700 -0.022 0.000 1.109 1044 E HN 0.335 nan 8.360 nan 0.000 0.394 1045 R N 3.282 123.777 120.500 -0.008 0.000 2.370 1045 R HA 0.134 4.489 4.340 0.024 0.000 0.309 1045 R C -0.551 175.758 176.300 0.015 0.000 1.059 1045 R CA -0.239 55.862 56.100 0.001 0.000 0.981 1045 R CB 0.176 30.474 30.300 -0.002 0.000 0.972 1045 R HN 0.513 nan 8.270 nan 0.000 0.437 1046 I N 6.164 126.753 120.570 0.032 0.000 2.363 1046 I HA -0.028 4.157 4.170 0.024 0.000 0.292 1046 I C 1.603 177.747 176.117 0.046 0.000 1.075 1046 I CA -0.019 61.309 61.300 0.047 0.000 1.333 1046 I CB 1.249 39.294 38.000 0.075 0.000 1.415 1046 I HN 0.773 nan 8.210 nan 0.000 0.502 1047 E N 6.034 126.255 120.200 0.034 0.000 2.299 1047 E HA -0.097 4.267 4.350 0.024 0.000 0.193 1047 E C 0.553 177.169 176.600 0.027 0.000 0.998 1047 E CA 0.510 56.928 56.400 0.030 0.000 0.851 1047 E CB 0.192 29.903 29.700 0.019 0.000 0.795 1047 E HN 0.479 nan 8.360 nan 0.000 0.492 1048 K N 2.115 122.530 120.400 0.026 0.000 2.296 1048 K HA 0.243 4.577 4.320 0.024 0.000 0.257 1048 K C -0.631 175.977 176.600 0.013 0.000 1.088 1048 K CA -0.282 56.013 56.287 0.014 0.000 0.980 1048 K CB 0.967 33.474 32.500 0.012 0.000 1.430 1048 K HN 0.049 nan 8.250 nan 0.000 0.441 1049 V N -0.104 119.807 119.914 -0.005 0.000 2.960 1049 V HA 0.582 4.717 4.120 0.024 0.000 0.315 1049 V C -0.756 175.216 176.094 -0.204 0.000 1.087 1049 V CA -0.909 61.362 62.300 -0.049 0.000 0.982 1049 V CB 2.132 33.999 31.823 0.073 0.000 1.039 1049 V HN 0.390 nan 8.190 nan 0.000 0.437 1050 E N 2.265 122.184 120.200 -0.468 0.000 2.191 1050 E HA 0.543 4.907 4.350 0.024 0.000 0.274 1050 E C -1.190 174.973 176.600 -0.729 0.000 0.948 1050 E CA -0.206 55.774 56.400 -0.700 0.000 0.802 1050 E CB 1.883 30.918 29.700 -1.108 0.000 1.137 1050 E HN 1.155 nan 8.360 nan 0.000 0.397 1051 H N -1.950 116.739 119.070 -0.635 0.000 2.851 1051 H HA 0.472 5.043 4.556 0.024 0.000 0.372 1051 H C -0.418 174.731 175.328 -0.297 0.000 1.158 1051 H CA -0.902 54.748 56.048 -0.664 0.000 1.159 1051 H CB 0.942 29.965 29.762 -1.232 0.000 1.757 1051 H HN 0.338 nan 8.280 nan 0.000 0.546 1052 S N 1.734 117.430 115.700 -0.006 0.000 2.600 1052 S HA 0.134 4.619 4.470 0.024 0.000 0.265 1052 S C -0.120 174.604 174.600 0.207 0.000 1.325 1052 S CA -0.644 57.608 58.200 0.087 0.000 1.002 1052 S CB 0.545 63.962 63.200 0.363 0.000 0.921 1052 S HN 0.708 nan 8.310 nan 0.000 0.554 1053 D N 0.237 120.731 120.400 0.156 0.000 2.371 1053 D HA 0.225 4.879 4.640 0.024 0.000 0.242 1053 D C 0.061 176.523 176.300 0.271 0.000 1.218 1053 D CA -0.434 53.695 54.000 0.216 0.000 0.945 1053 D CB 0.073 40.951 40.800 0.130 0.000 1.137 1053 D HN 0.444 nan 8.370 nan 0.000 0.464 1054 L N 0.969 122.279 121.223 0.145 0.000 2.513 1054 L HA 0.140 4.494 4.340 0.024 0.000 0.272 1054 L C 0.280 177.102 176.870 -0.080 0.000 1.187 1054 L CA 0.910 55.776 54.840 0.044 0.000 0.895 1054 L CB 0.115 42.164 42.059 -0.017 0.000 1.147 1054 L HN 0.228 nan 8.230 nan 0.000 0.483 1055 S N 3.540 118.989 115.700 -0.419 0.000 2.704 1055 S HA 0.888 5.372 4.470 0.024 0.000 0.296 1055 S C -1.002 173.080 174.600 -0.863 0.000 1.138 1055 S CA -0.570 57.051 58.200 -0.965 0.000 0.875 1055 S CB 0.946 63.106 63.200 -1.734 0.000 1.151 1055 S HN 0.393 nan 8.310 nan 0.000 0.500 1056 F N -0.713 118.884 119.950 -0.588 0.000 2.650 1056 F HA 0.826 5.368 4.527 0.026 0.000 0.320 1056 F C -0.078 175.613 175.800 -0.181 0.000 1.091 1056 F CA -1.049 56.712 58.000 -0.398 0.000 0.962 1056 F CB 0.763 39.482 39.000 -0.469 0.000 1.363 1056 F HN 0.371 nan 8.300 nan 0.000 0.482 1057 S N 0.137 115.920 115.700 0.138 0.000 2.730 1057 S HA 0.328 4.813 4.470 0.024 0.000 0.284 1057 S C 0.901 175.362 174.600 -0.230 0.000 1.153 1057 S CA -0.877 57.326 58.200 0.006 0.000 0.995 1057 S CB 1.429 64.636 63.200 0.011 0.000 1.058 1057 S HN 0.674 nan 8.310 nan 0.000 0.552 1058 K N 0.867 121.088 120.400 -0.298 0.000 2.103 1058 K HA -0.145 4.190 4.320 0.024 0.000 0.207 1058 K C 0.977 177.258 176.600 -0.531 0.000 1.048 1058 K CA 1.472 57.464 56.287 -0.491 0.000 0.930 1058 K CB -0.297 32.019 32.500 -0.307 0.000 0.716 1058 K HN 0.432 nan 8.250 nan 0.000 0.444 1059 D N -0.501 119.745 120.400 -0.256 0.000 2.203 1059 D HA -0.206 4.449 4.640 0.024 0.000 0.199 1059 D C 0.136 176.422 176.300 -0.023 0.000 0.997 1059 D CA 1.228 55.165 54.000 -0.106 0.000 0.863 1059 D CB -0.109 40.663 40.800 -0.047 0.000 0.928 1059 D HN 0.428 nan 8.370 nan 0.000 0.458 1060 W N -0.815 120.371 121.300 -0.189 0.000 1.432 1060 W HA -0.258 4.417 4.660 0.025 0.000 0.247 1060 W C 0.207 176.449 176.519 -0.463 0.000 1.009 1060 W CA 0.398 57.514 57.345 -0.382 0.000 0.410 1060 W CB -2.211 27.025 29.460 -0.374 0.000 2.021 1060 W HN 0.000 nan 8.180 nan 0.000 1.167 1061 S N 0.598 116.224 115.700 -0.123 0.000 2.592 1061 S HA 0.639 5.124 4.470 0.024 0.000 0.271 1061 S C -0.224 174.158 174.600 -0.363 0.000 1.326 1061 S CA -0.630 57.442 58.200 -0.213 0.000 1.024 1061 S CB 0.879 64.057 63.200 -0.037 0.000 0.921 1061 S HN 0.057 nan 8.310 nan 0.000 0.527 1062 F N 1.501 121.212 119.950 -0.398 0.000 2.371 1062 F HA 0.552 5.093 4.527 0.024 0.000 0.329 1062 F C 0.245 175.709 175.800 -0.560 0.000 1.107 1062 F CA -0.641 56.975 58.000 -0.641 0.000 1.137 1062 F CB 0.619 38.954 39.000 -1.109 0.000 1.214 1062 F HN 0.757 nan 8.300 nan 0.000 0.536 1063 Y N -0.207 120.038 120.300 -0.091 0.000 2.562 1063 Y HA 0.831 5.396 4.550 0.024 0.000 0.345 1063 Y C -2.083 173.881 175.900 0.108 0.000 1.045 1063 Y CA -1.933 56.147 58.100 -0.035 0.000 1.028 1063 Y CB 1.195 39.560 38.460 -0.157 0.000 1.297 1063 Y HN 0.495 nan 8.280 nan 0.000 0.463 1064 L N 3.638 125.054 121.223 0.322 0.000 2.431 1064 L HA 0.512 4.866 4.340 0.024 0.000 0.266 1064 L C -1.568 175.550 176.870 0.415 0.000 0.978 1064 L CA -1.140 53.925 54.840 0.376 0.000 0.822 1064 L CB 2.413 44.719 42.059 0.413 0.000 1.310 1064 L HN 0.758 nan 8.230 nan 0.000 0.409 1065 L N 2.731 124.268 121.223 0.524 0.000 2.309 1065 L HA 0.533 4.888 4.340 0.024 0.000 0.282 1065 L C -1.499 175.624 176.870 0.422 0.000 1.036 1065 L CA 0.053 55.230 54.840 0.562 0.000 0.806 1065 L CB 1.155 43.565 42.059 0.586 0.000 1.220 1065 L HN 0.325 nan 8.230 nan 0.000 0.429 1066 Y N 4.905 125.349 120.300 0.239 0.000 2.462 1066 Y HA 0.641 5.205 4.550 0.024 0.000 0.346 1066 Y C -0.850 175.137 175.900 0.144 0.000 0.976 1066 Y CA -0.370 57.799 58.100 0.116 0.000 1.044 1066 Y CB 1.903 40.395 38.460 0.054 0.000 1.230 1066 Y HN 0.649 nan 8.280 nan 0.000 0.455 1067 Y N -0.786 119.593 120.300 0.132 0.000 2.689 1067 Y HA 0.816 5.384 4.550 0.030 0.000 0.333 1067 Y C -1.222 174.736 175.900 0.097 0.000 1.208 1067 Y CA -1.193 56.948 58.100 0.069 0.000 1.055 1067 Y CB 1.895 40.368 38.460 0.022 0.000 1.304 1067 Y HN 0.528 nan 8.280 nan 0.000 0.455 1068 T N 0.568 115.327 114.554 0.342 0.000 2.886 1068 T HA 0.322 4.687 4.350 0.024 0.000 0.330 1068 T C -1.774 173.057 174.700 0.218 0.000 1.488 1068 T CA -0.793 61.446 62.100 0.231 0.000 1.054 1068 T CB 1.394 70.320 68.868 0.097 0.000 1.348 1068 T HN 0.782 nan 8.240 nan 0.000 0.489 1069 E N 2.001 122.251 120.200 0.083 0.000 2.392 1069 E HA 0.536 4.901 4.350 0.024 0.000 0.264 1069 E C -0.424 176.168 176.600 -0.013 0.000 1.024 1069 E CA 0.082 56.372 56.400 -0.183 0.000 0.903 1069 E CB 0.407 29.975 29.700 -0.221 0.000 0.963 1069 E HN 0.485 nan 8.360 nan 0.000 0.432 1070 F N -1.441 118.276 119.950 -0.388 0.000 2.713 1070 F HA 0.574 5.115 4.527 0.024 0.000 0.311 1070 F C -1.288 174.277 175.800 -0.391 0.000 1.141 1070 F CA -0.900 56.856 58.000 -0.406 0.000 0.939 1070 F CB 1.675 40.203 39.000 -0.786 0.000 1.325 1070 F HN 0.144 nan 8.300 nan 0.000 0.453 1071 T N 3.303 117.459 114.554 -0.664 0.000 2.833 1071 T HA 0.417 4.782 4.350 0.024 0.000 0.297 1071 T C -2.894 171.477 174.700 -0.549 0.000 1.015 1071 T CA -1.365 60.346 62.100 -0.649 0.000 0.963 1071 T CB 1.422 70.137 68.868 -0.255 0.000 0.955 1071 T HN 0.327 nan 8.240 nan 0.000 0.449 1072 P HA 0.209 nan 4.420 nan 0.000 0.264 1072 P C -0.191 177.142 177.300 0.055 0.000 1.193 1072 P CA -0.007 63.002 63.100 -0.152 0.000 0.763 1072 P CB 0.318 31.979 31.700 -0.064 0.000 0.810 1073 T N -1.702 112.981 114.554 0.215 0.000 2.896 1073 T HA 0.311 4.675 4.350 0.024 0.000 0.297 1073 T C 0.904 175.698 174.700 0.156 0.000 1.108 1073 T CA -0.782 61.404 62.100 0.142 0.000 1.004 1073 T CB 1.621 70.554 68.868 0.109 0.000 1.159 1073 T HN 0.258 nan 8.240 nan 0.000 0.499 1074 E N 0.415 120.677 120.200 0.103 0.000 2.171 1074 E HA -0.187 4.177 4.350 0.024 0.000 0.197 1074 E C 1.601 178.255 176.600 0.090 0.000 0.997 1074 E CA 1.545 57.999 56.400 0.089 0.000 0.810 1074 E CB 0.064 29.800 29.700 0.059 0.000 0.738 1074 E HN 0.599 nan 8.360 nan 0.000 0.467 1075 K N -0.110 120.340 120.400 0.083 0.000 2.141 1075 K HA 0.048 4.383 4.320 0.024 0.000 0.202 1075 K C 0.453 177.090 176.600 0.062 0.000 1.045 1075 K CA 0.289 56.612 56.287 0.060 0.000 0.971 1075 K CB 0.260 32.785 32.500 0.040 0.000 0.795 1075 K HN 0.047 nan 8.250 nan 0.000 0.459 1076 D N 1.521 121.970 120.400 0.081 0.000 2.354 1076 D HA 0.057 4.712 4.640 0.024 0.000 0.247 1076 D C -0.554 175.786 176.300 0.066 0.000 1.138 1076 D CA 0.238 54.251 54.000 0.022 0.000 0.958 1076 D CB 1.313 42.106 40.800 -0.011 0.000 1.144 1076 D HN 0.078 nan 8.370 nan 0.000 0.458 1077 E N 0.861 120.993 120.200 -0.113 0.000 2.263 1077 E HA 0.281 4.645 4.350 0.024 0.000 0.268 1077 E C -1.698 174.796 176.600 -0.177 0.000 0.884 1077 E CA -0.572 55.827 56.400 -0.002 0.000 0.766 1077 E CB 1.026 30.735 29.700 0.016 0.000 1.196 1077 E HN 0.314 nan 8.360 nan 0.000 0.416 1078 Y N 1.415 121.833 120.300 0.197 0.000 2.485 1078 Y HA 0.800 5.367 4.550 0.029 0.000 0.345 1078 Y C 0.217 176.183 175.900 0.109 0.000 0.998 1078 Y CA -0.457 57.714 58.100 0.118 0.000 1.059 1078 Y CB 2.445 40.929 38.460 0.040 0.000 1.234 1078 Y HN 0.654 nan 8.280 nan 0.000 0.461 1079 A N 0.456 123.390 122.820 0.189 0.000 2.581 1079 A HA 0.688 5.023 4.320 0.024 0.000 0.290 1079 A C -1.947 175.665 177.584 0.046 0.000 1.119 1079 A CA -0.731 51.375 52.037 0.116 0.000 0.670 1079 A CB 1.173 20.218 19.000 0.075 0.000 1.280 1079 A HN 0.800 nan 8.150 nan 0.000 0.425 1080 c N 0.777 119.389 118.600 0.020 0.000 2.322 1080 c HA 0.800 5.384 4.570 0.024 0.000 0.324 1080 c C -0.104 173.954 174.090 -0.054 0.000 1.249 1080 c CA -0.438 55.865 56.329 -0.043 0.000 1.453 1080 c CB 0.003 42.490 42.510 -0.037 0.000 2.145 1080 c HN 0.827 nan 8.230 nan 0.000 0.466 1081 R N 4.983 125.428 120.500 -0.091 0.000 2.387 1081 R HA 0.768 5.123 4.340 0.024 0.000 0.314 1081 R C -1.698 174.525 176.300 -0.128 0.000 0.958 1081 R CA -0.308 55.742 56.100 -0.083 0.000 0.846 1081 R CB 1.372 31.634 30.300 -0.063 0.000 1.147 1081 R HN 0.617 nan 8.270 nan 0.000 0.447 1082 V N 4.443 124.291 119.914 -0.111 0.000 2.540 1082 V HA 0.352 4.487 4.120 0.024 0.000 0.302 1082 V C -0.582 175.454 176.094 -0.097 0.000 1.035 1082 V CA -0.961 61.253 62.300 -0.142 0.000 0.873 1082 V CB 1.767 33.496 31.823 -0.156 0.000 0.992 1082 V HN 0.720 nan 8.190 nan 0.000 0.428 1083 N N 2.710 121.352 118.700 -0.097 0.000 2.314 1083 N HA 0.532 5.287 4.740 0.024 0.000 0.304 1083 N C -1.216 174.288 175.510 -0.011 0.000 1.073 1083 N CA -0.363 52.656 53.050 -0.051 0.000 0.822 1083 N CB 1.485 39.938 38.487 -0.057 0.000 1.280 1083 N HN 0.902 nan 8.380 nan 0.000 0.489 1084 H N 1.595 120.601 119.070 -0.107 0.000 3.042 1084 H HA 0.167 4.738 4.556 0.025 0.000 0.346 1084 H C -0.022 175.280 175.328 -0.043 0.000 1.294 1084 H CA -0.499 55.490 56.048 -0.097 0.000 1.141 1084 H CB 1.717 31.411 29.762 -0.112 0.000 1.872 1084 H HN 0.264 nan 8.280 nan 0.000 0.541 1085 V N 2.790 122.419 119.914 -0.474 0.000 2.720 1085 V HA -0.188 3.947 4.120 0.024 0.000 0.256 1085 V C 2.042 178.131 176.094 -0.009 0.000 1.082 1085 V CA 2.879 65.045 62.300 -0.224 0.000 1.101 1085 V CB -0.568 31.098 31.823 -0.261 0.000 0.693 1085 V HN 0.882 nan 8.190 nan 0.000 0.479 1086 T N -2.151 112.530 114.554 0.211 0.000 3.148 1086 T HA 0.203 4.568 4.350 0.024 0.000 0.253 1086 T C 0.474 175.256 174.700 0.137 0.000 1.134 1086 T CA 0.061 62.293 62.100 0.219 0.000 1.051 1086 T CB -0.398 68.650 68.868 0.299 0.000 0.959 1086 T HN 0.361 nan 8.240 nan 0.000 0.525 1087 L N 1.750 123.041 121.223 0.114 0.000 2.296 1087 L HA 0.426 4.780 4.340 0.024 0.000 0.286 1087 L C 1.233 178.123 176.870 0.032 0.000 1.023 1087 L CA -0.832 54.045 54.840 0.063 0.000 0.812 1087 L CB 1.731 43.821 42.059 0.051 0.000 1.223 1087 L HN 0.058 nan 8.230 nan 0.000 0.421 1088 S N 1.540 117.255 115.700 0.025 0.000 2.368 1088 S HA -0.092 4.393 4.470 0.024 0.000 0.225 1088 S C 0.454 175.058 174.600 0.006 0.000 1.030 1088 S CA 1.069 59.277 58.200 0.014 0.000 0.999 1088 S CB -0.106 63.103 63.200 0.014 0.000 0.844 1088 S HN 0.658 nan 8.310 nan 0.000 0.459 1089 Q N 0.262 120.066 119.800 0.006 0.000 2.397 1089 Q HA 0.414 4.769 4.340 0.024 0.000 0.275 1089 Q C -3.072 172.926 176.000 -0.003 0.000 1.090 1089 Q CA -2.516 53.286 55.803 -0.001 0.000 0.809 1089 Q CB 1.575 30.313 28.738 -0.000 0.000 1.362 1089 Q HN -0.020 nan 8.270 nan 0.000 0.431 1090 P HA -0.111 nan 4.420 nan 0.000 0.258 1090 P C -0.938 176.353 177.300 -0.015 0.000 1.172 1090 P CA 0.572 63.660 63.100 -0.021 0.000 0.762 1090 P CB 0.358 32.041 31.700 -0.028 0.000 0.764 1091 K N 3.592 123.982 120.400 -0.017 0.000 2.322 1091 K HA 0.293 4.628 4.320 0.024 0.000 0.283 1091 K C 0.087 176.678 176.600 -0.014 0.000 1.042 1091 K CA -0.170 56.111 56.287 -0.009 0.000 0.958 1091 K CB 0.375 32.871 32.500 -0.007 0.000 0.984 1091 K HN 0.442 nan 8.250 nan 0.000 0.473 1092 I N 4.243 124.812 120.570 -0.000 0.000 2.355 1092 I HA 0.141 4.325 4.170 0.024 0.000 0.288 1092 I C -0.349 175.783 176.117 0.025 0.000 0.999 1092 I CA -1.063 60.241 61.300 0.006 0.000 1.163 1092 I CB 1.582 39.587 38.000 0.008 0.000 1.316 1092 I HN 0.265 nan 8.210 nan 0.000 0.454 1093 V N 5.051 124.986 119.914 0.036 0.000 2.334 1093 V HA 0.461 4.596 4.120 0.024 0.000 0.281 1093 V C -0.078 176.073 176.094 0.095 0.000 1.016 1093 V CA -0.649 61.689 62.300 0.062 0.000 0.832 1093 V CB 1.013 32.878 31.823 0.069 0.000 0.999 1093 V HN 0.657 nan 8.190 nan 0.000 0.439 1094 K N 4.643 125.104 120.400 0.102 0.000 2.295 1094 K HA 0.231 4.565 4.320 0.024 0.000 0.270 1094 K C -0.608 176.114 176.600 0.203 0.000 1.011 1094 K CA -0.174 56.205 56.287 0.153 0.000 0.953 1094 K CB 0.931 33.507 32.500 0.127 0.000 0.956 1094 K HN 0.846 nan 8.250 nan 0.000 0.477 1095 W N 3.215 124.567 121.300 0.086 0.000 2.311 1095 W HA 0.096 4.770 4.660 0.023 0.000 0.310 1095 W C -0.669 175.940 176.519 0.150 0.000 1.274 1095 W CA 0.153 57.556 57.345 0.097 0.000 1.215 1095 W CB 0.732 30.200 29.460 0.013 0.000 1.227 1095 W HN 0.439 nan 8.180 nan 0.000 0.523 1096 D N 5.780 125.755 120.400 -0.708 0.000 2.575 1096 D HA 0.185 4.840 4.640 0.024 0.000 0.250 1096 D C 1.108 176.889 176.300 -0.865 0.000 1.279 1096 D CA -0.361 53.286 54.000 -0.589 0.000 0.925 1096 D CB 1.301 41.979 40.800 -0.203 0.000 1.261 1096 D HN 0.562 nan 8.370 nan 0.000 0.567 1097 R N 1.722 121.619 120.500 -1.004 0.000 2.159 1097 R HA -0.198 4.157 4.340 0.024 0.000 0.249 1097 R C 0.683 176.898 176.300 -0.141 0.000 1.136 1097 R CA 1.589 57.401 56.100 -0.481 0.000 0.951 1097 R CB -0.015 30.197 30.300 -0.146 0.000 0.876 1097 R HN 0.463 nan 8.270 nan 0.000 0.440 1098 D N -0.223 120.120 120.400 -0.095 0.000 2.312 1098 D HA -0.059 4.595 4.640 0.024 0.000 0.211 1098 D C 1.440 177.771 176.300 0.052 0.000 0.964 1098 D CA 1.079 55.094 54.000 0.025 0.000 0.877 1098 D CB 0.137 40.954 40.800 0.028 0.000 0.924 1098 D HN 0.314 nan 8.370 nan 0.000 0.515 1099 M N -1.090 118.505 119.600 -0.007 0.000 2.405 1099 M HA 0.220 4.715 4.480 0.024 0.000 0.292 1099 M C 0.988 177.336 176.300 0.081 0.000 1.111 1099 M CA -0.008 55.311 55.300 0.031 0.000 0.979 1099 M CB 1.351 33.948 32.600 -0.005 0.000 1.426 1099 M HN -0.034 nan 8.290 nan 0.000 0.509 1100 G N 1.028 109.912 108.800 0.141 0.000 2.175 1100 G HA2 -0.287 3.687 3.960 0.024 0.000 0.265 1100 G HA3 -0.287 3.687 3.960 0.024 0.000 0.265 1100 G C 0.826 175.865 174.900 0.230 0.000 0.979 1100 G CA 0.465 45.773 45.100 0.348 0.000 0.663 1100 G HN 0.843 nan 8.290 nan 0.000 0.533 1101 G N -1.195 107.552 108.800 -0.089 0.000 2.160 1101 G HA2 0.155 4.130 3.960 0.024 0.000 0.244 1101 G HA3 0.155 4.130 3.960 0.024 0.000 0.244 1101 G C 2.176 177.174 174.900 0.163 0.000 1.022 1101 G CA 0.600 45.641 45.100 -0.099 0.000 0.741 1101 G HN 2.220 nan 8.290 nan 0.000 0.508 1102 G N -0.151 108.722 108.800 0.123 0.000 3.495 1102 G HA2 0.397 4.371 3.960 0.024 0.000 0.989 1102 G HA3 0.397 4.371 3.960 0.024 0.000 0.989 1102 G C 1.177 176.180 174.900 0.170 0.000 0.950 1102 G CA 1.715 46.899 45.100 0.141 0.000 0.778 1102 G HN 2.304 nan 8.290 nan 0.000 1.246 1103 G N 0.000 108.878 108.800 0.130 0.000 5.446 1103 G HA2 0.000 3.975 3.960 0.024 0.000 0.244 1103 G HA3 0.000 3.975 3.960 0.024 0.000 0.244 1103 G CA 0.000 45.177 45.100 0.128 0.000 0.502 1103 G HN 0.000 nan 8.290 nan 0.000 0.925