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 1nwu_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.890 175.900 -0.017 0.000 1.272 22 Y CA 0.000 58.093 58.100 -0.011 0.000 1.940 22 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 23 K N 1.660 122.129 120.400 0.114 0.000 2.143 23 K HA 0.606 4.925 4.320 -0.001 0.000 0.272 23 K C -1.373 175.217 176.600 -0.017 0.000 1.001 23 K CA -0.829 55.446 56.287 -0.020 0.000 0.915 23 K CB 1.444 33.766 32.500 -0.297 0.000 1.047 23 K HN 0.408 nan 8.250 nan 0.000 0.458 24 L N 4.058 125.288 121.223 0.012 0.000 2.433 24 L HA 0.241 4.580 4.340 -0.001 0.000 0.256 24 L C -1.341 175.530 176.870 0.001 0.000 1.063 24 L CA -0.606 54.241 54.840 0.013 0.000 0.922 24 L CB 1.279 43.363 42.059 0.041 0.000 1.238 24 L HN 0.284 nan 8.230 nan 0.000 0.466 25 V N 3.634 123.505 119.914 -0.071 0.000 2.408 25 V HA 0.335 4.455 4.120 -0.001 0.000 0.267 25 V C -0.003 176.099 176.094 0.014 0.000 1.047 25 V CA -0.229 62.027 62.300 -0.072 0.000 0.937 25 V CB 0.708 32.427 31.823 -0.174 0.000 0.999 25 V HN 0.811 nan 8.190 nan 0.000 0.472 26 c N 5.281 123.871 118.600 -0.017 0.000 2.408 26 c HA 0.612 5.182 4.570 -0.001 0.000 0.321 26 c C -0.257 173.787 174.090 -0.077 0.000 1.245 26 c CA -1.291 55.043 56.329 0.008 0.000 1.523 26 c CB 0.482 42.984 42.510 -0.013 0.000 2.178 26 c HN 0.750 nan 8.230 nan 0.000 0.488 27 Y N 1.060 121.334 120.300 -0.042 0.000 2.320 27 Y HA 0.473 5.023 4.550 -0.001 0.000 0.324 27 Y C -0.053 175.636 175.900 -0.352 0.000 1.190 27 Y CA 0.078 58.058 58.100 -0.200 0.000 1.215 27 Y CB 0.729 38.981 38.460 -0.347 0.000 1.221 27 Y HN 0.714 nan 8.280 nan 0.000 0.486 28 Y N 2.163 122.250 120.300 -0.356 0.000 2.406 28 Y HA 0.449 4.999 4.550 -0.001 0.000 0.340 28 Y C -0.606 174.815 175.900 -0.798 0.000 0.975 28 Y CA -1.202 56.591 58.100 -0.511 0.000 1.056 28 Y CB 1.339 39.590 38.460 -0.349 0.000 1.210 28 Y HN 0.638 nan 8.280 nan 0.000 0.448 29 T N 1.198 114.637 114.554 -1.859 0.000 2.829 29 T HA 0.280 4.630 4.350 -0.001 0.000 0.282 29 T C 0.911 174.388 174.700 -2.039 0.000 0.990 29 T CA -0.104 60.759 62.100 -2.061 0.000 1.028 29 T CB 1.341 68.612 68.868 -2.661 0.000 0.951 29 T HN 0.754 nan 8.240 nan 0.000 0.460 30 S N 1.506 116.397 115.700 -1.348 0.000 2.507 30 S HA -0.077 4.392 4.470 -0.001 0.000 0.235 30 S C 1.364 175.684 174.600 -0.466 0.000 0.988 30 S CA 0.252 58.026 58.200 -0.710 0.000 0.944 30 S CB -0.871 62.201 63.200 -0.213 0.000 0.762 30 S HN 1.006 nan 8.310 nan 0.000 0.526 31 W N 2.067 123.125 121.300 -0.402 0.000 3.197 31 W HA 0.388 5.048 4.660 -0.001 0.000 0.274 31 W C 1.735 178.088 176.519 -0.277 0.000 1.297 31 W CA 0.060 57.274 57.345 -0.218 0.000 1.662 31 W CB -0.708 28.767 29.460 0.024 0.000 1.106 31 W HN 0.266 nan 8.180 nan 0.000 0.663 32 S N 1.127 116.396 115.700 -0.719 0.000 2.474 32 S HA -0.293 4.176 4.470 -0.001 0.000 0.235 32 S C 1.776 176.142 174.600 -0.390 0.000 0.997 32 S CA 1.228 59.131 58.200 -0.496 0.000 0.949 32 S CB -0.835 61.955 63.200 -0.682 0.000 0.766 32 S HN 0.695 nan 8.310 nan 0.000 0.517 33 Q N 0.022 119.445 119.800 -0.629 0.000 2.170 33 Q HA -0.125 4.215 4.340 -0.001 0.000 0.203 33 Q C 1.139 176.942 176.000 -0.328 0.000 0.976 33 Q CA 1.275 56.595 55.803 -0.806 0.000 0.858 33 Q CB -0.812 27.126 28.738 -1.333 0.000 0.907 33 Q HN 0.659 nan 8.270 nan 0.000 0.433 34 Y N 1.166 121.486 120.300 0.032 0.000 2.583 34 Y HA 0.199 4.748 4.550 -0.001 0.000 0.293 34 Y C 0.469 176.470 175.900 0.168 0.000 1.157 34 Y CA -0.312 57.877 58.100 0.149 0.000 1.315 34 Y CB -0.075 38.497 38.460 0.187 0.000 1.021 34 Y HN -0.007 nan 8.280 nan 0.000 0.536 35 R N 1.654 122.316 120.500 0.270 0.000 2.537 35 R HA 0.069 4.408 4.340 -0.001 0.000 0.280 35 R C 0.293 176.786 176.300 0.322 0.000 1.058 35 R CA -0.188 56.091 56.100 0.299 0.000 1.057 35 R CB 0.456 30.938 30.300 0.302 0.000 0.973 35 R HN 0.326 nan 8.270 nan 0.000 0.438 36 E N 0.953 121.348 120.200 0.326 0.000 2.436 36 E HA -0.001 4.348 4.350 -0.001 0.000 0.262 36 E C 1.071 177.919 176.600 0.413 0.000 1.063 36 E CA 0.504 57.083 56.400 0.299 0.000 0.944 36 E CB 0.399 30.210 29.700 0.185 0.000 0.950 36 E HN 0.758 nan 8.360 nan 0.000 0.444 37 G N 3.059 112.050 108.800 0.320 0.000 2.660 37 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.338 37 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.338 37 G C 0.451 175.529 174.900 0.297 0.000 1.336 37 G CA 0.584 45.878 45.100 0.323 0.000 0.990 37 G HN 0.748 nan 8.290 nan 0.000 0.537 38 D N 1.491 122.045 120.400 0.257 0.000 2.384 38 D HA 0.018 4.657 4.640 -0.001 0.000 0.222 38 D C 2.262 178.495 176.300 -0.111 0.000 0.976 38 D CA 1.370 55.402 54.000 0.053 0.000 0.915 38 D CB -0.743 40.052 40.800 -0.009 0.000 0.896 38 D HN 0.591 nan 8.370 nan 0.000 0.523 39 G N 0.272 109.063 108.800 -0.015 0.000 2.464 39 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.217 39 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.217 39 G C 0.859 175.917 174.900 0.262 0.000 1.138 39 G CA -0.034 45.063 45.100 -0.004 0.000 0.793 39 G HN 0.242 nan 8.290 nan 0.000 0.539 40 S N -0.361 115.501 115.700 0.269 0.000 2.525 40 S HA 0.236 4.705 4.470 -0.001 0.000 0.285 40 S C -0.222 174.456 174.600 0.131 0.000 1.283 40 S CA -0.395 57.921 58.200 0.193 0.000 1.072 40 S CB -0.024 63.342 63.200 0.275 0.000 0.867 40 S HN 0.341 nan 8.310 nan 0.000 0.492 41 C N 7.293 126.480 119.300 -0.188 0.000 2.364 41 C HA 0.770 5.230 4.460 -0.001 0.000 0.324 41 C C -1.077 173.748 174.990 -0.275 0.000 1.234 41 C CA -0.850 57.905 59.018 -0.437 0.000 1.417 41 C CB -0.662 26.462 27.740 -1.027 0.000 2.101 41 C HN 0.854 nan 8.230 nan 0.000 0.466 42 F N 5.421 125.292 119.950 -0.130 0.000 2.538 42 F HA 0.490 5.016 4.527 -0.001 0.000 0.325 42 F C -1.419 174.206 175.800 -0.292 0.000 1.066 42 F CA -1.894 56.042 58.000 -0.107 0.000 0.946 42 F CB 1.498 40.458 39.000 -0.067 0.000 1.199 42 F HN 0.372 nan 8.300 nan 0.000 0.473 43 P HA -0.218 nan 4.420 nan 0.000 0.217 43 P C 1.019 178.197 177.300 -0.204 0.000 1.151 43 P CA 1.766 64.581 63.100 -0.476 0.000 0.849 43 P CB 0.024 31.515 31.700 -0.348 0.000 0.787 44 D N -0.602 119.756 120.400 -0.070 0.000 2.350 44 D HA -0.086 4.553 4.640 -0.001 0.000 0.216 44 D C 1.403 177.706 176.300 0.006 0.000 0.968 44 D CA 0.972 54.947 54.000 -0.041 0.000 0.894 44 D CB -0.709 40.073 40.800 -0.031 0.000 0.909 44 D HN 0.145 nan 8.370 nan 0.000 0.520 45 A N 0.244 123.086 122.820 0.037 0.000 2.251 45 A HA 0.242 4.561 4.320 -0.001 0.000 0.209 45 A C 1.179 178.904 177.584 0.234 0.000 1.187 45 A CA -0.281 51.836 52.037 0.133 0.000 0.823 45 A CB -0.277 18.814 19.000 0.152 0.000 0.846 45 A HN 0.214 nan 8.150 nan 0.000 0.486 46 L N 0.325 121.604 121.223 0.093 0.000 2.375 46 L HA 0.256 4.595 4.340 -0.001 0.000 0.271 46 L C -0.184 176.650 176.870 -0.060 0.000 1.107 46 L CA -0.791 54.065 54.840 0.027 0.000 0.806 46 L CB 0.803 42.762 42.059 -0.165 0.000 1.146 46 L HN 0.111 nan 8.230 nan 0.000 0.447 47 D N 1.968 122.245 120.400 -0.205 0.000 2.336 47 D HA 0.052 4.691 4.640 -0.001 0.000 0.249 47 D C 1.268 177.446 176.300 -0.203 0.000 1.213 47 D CA -0.401 53.524 54.000 -0.125 0.000 0.870 47 D CB 0.905 41.647 40.800 -0.097 0.000 1.076 47 D HN 0.492 nan 8.370 nan 0.000 0.483 48 R N 2.677 123.033 120.500 -0.241 0.000 2.249 48 R HA -0.113 4.226 4.340 -0.001 0.000 0.230 48 R C 0.664 176.657 176.300 -0.511 0.000 1.121 48 R CA 1.164 57.012 56.100 -0.419 0.000 0.997 48 R CB -0.341 29.612 30.300 -0.578 0.000 0.867 48 R HN 0.288 nan 8.270 nan 0.000 0.465 49 F N -0.193 119.711 119.950 -0.076 0.000 2.695 49 F HA 0.206 4.732 4.527 -0.002 0.000 0.303 49 F C 1.537 177.297 175.800 -0.066 0.000 1.091 49 F CA -0.606 57.358 58.000 -0.059 0.000 1.300 49 F CB 0.178 39.157 39.000 -0.035 0.000 1.071 49 F HN -0.042 nan 8.300 nan 0.000 0.578 50 L N -0.302 120.927 121.223 0.010 0.000 2.005 50 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 50 L C 0.895 177.744 176.870 -0.034 0.000 1.072 50 L CA 1.407 56.219 54.840 -0.046 0.000 0.744 50 L CB -0.290 41.637 42.059 -0.220 0.000 0.895 50 L HN 0.076 nan 8.230 nan 0.000 0.433 51 c N -1.856 116.705 118.600 -0.065 0.000 2.407 51 c HA 0.506 5.075 4.570 -0.001 0.000 0.366 51 c C 1.915 176.004 174.090 -0.001 0.000 1.213 51 c CA 0.025 56.340 56.329 -0.023 0.000 2.011 51 c CB 1.256 43.741 42.510 -0.041 0.000 2.306 51 c HN 0.587 nan 8.230 nan 0.000 0.527 52 T N -2.465 112.125 114.554 0.061 0.000 3.037 52 T HA 0.140 4.489 4.350 -0.001 0.000 0.252 52 T C 0.023 174.683 174.700 -0.067 0.000 1.073 52 T CA 0.850 62.980 62.100 0.050 0.000 1.091 52 T CB -0.202 68.773 68.868 0.177 0.000 0.935 52 T HN 0.786 nan 8.240 nan 0.000 0.488 53 H N -0.287 118.749 119.070 -0.057 0.000 2.856 53 H HA 0.653 5.208 4.556 -0.001 0.000 0.355 53 H C -1.193 174.102 175.328 -0.054 0.000 1.079 53 H CA -0.998 55.028 56.048 -0.036 0.000 1.240 53 H CB 1.405 31.153 29.762 -0.024 0.000 1.701 53 H HN 0.177 nan 8.280 nan 0.000 0.527 54 I N 4.083 124.690 120.570 0.062 0.000 2.406 54 I HA 0.366 4.535 4.170 -0.001 0.000 0.290 54 I C -0.448 175.694 176.117 0.042 0.000 0.999 54 I CA -0.552 60.753 61.300 0.008 0.000 1.124 54 I CB 1.612 39.597 38.000 -0.025 0.000 1.289 54 I HN 0.398 nan 8.210 nan 0.000 0.441 55 I N 6.013 126.540 120.570 -0.071 0.000 2.378 55 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 55 I C -0.852 175.289 176.117 0.040 0.000 0.992 55 I CA -0.820 60.435 61.300 -0.074 0.000 1.154 55 I CB 1.584 39.318 38.000 -0.443 0.000 1.315 55 I HN 0.472 nan 8.210 nan 0.000 0.448 56 Y N 5.465 125.792 120.300 0.045 0.000 2.336 56 Y HA 0.287 4.836 4.550 -0.001 0.000 0.335 56 Y C -0.039 175.844 175.900 -0.028 0.000 1.046 56 Y CA 0.204 58.358 58.100 0.090 0.000 1.198 56 Y CB 1.001 39.594 38.460 0.221 0.000 1.182 56 Y HN 0.499 nan 8.280 nan 0.000 0.502 57 S N 6.497 121.901 115.700 -0.494 0.000 2.519 57 S HA 0.632 5.101 4.470 -0.001 0.000 0.309 57 S C -1.407 172.889 174.600 -0.508 0.000 1.100 57 S CA -0.537 57.230 58.200 -0.721 0.000 1.059 57 S CB 0.708 63.089 63.200 -1.365 0.000 1.008 57 S HN 0.519 nan 8.310 nan 0.000 0.478 58 F N 0.929 120.927 119.950 0.081 0.000 2.620 58 F HA 0.770 5.296 4.527 -0.001 0.000 0.320 58 F C 0.340 176.318 175.800 0.298 0.000 1.069 58 F CA -0.946 57.152 58.000 0.163 0.000 0.953 58 F CB 1.393 40.415 39.000 0.036 0.000 1.322 58 F HN 0.627 nan 8.300 nan 0.000 0.479 59 A N 1.458 124.601 122.820 0.539 0.000 2.295 59 A HA 0.624 4.943 4.320 -0.001 0.000 0.318 59 A C -0.652 177.247 177.584 0.526 0.000 1.134 59 A CA -0.427 51.907 52.037 0.495 0.000 0.827 59 A CB 0.857 20.029 19.000 0.287 0.000 1.136 59 A HN 0.739 nan 8.150 nan 0.000 0.493 60 N N -0.477 118.547 118.700 0.540 0.000 2.530 60 N HA 0.650 5.389 4.740 -0.001 0.000 0.283 60 N C -1.122 174.527 175.510 0.232 0.000 1.238 60 N CA -0.533 52.833 53.050 0.528 0.000 0.971 60 N CB 0.807 39.492 38.487 0.331 0.000 1.195 60 N HN 0.477 nan 8.380 nan 0.000 0.583 61 I N 0.716 121.409 120.570 0.204 0.000 2.468 61 I HA 0.255 4.424 4.170 -0.001 0.000 0.284 61 I C -0.896 175.218 176.117 -0.004 0.000 1.038 61 I CA -0.463 60.859 61.300 0.038 0.000 1.083 61 I CB 1.620 39.519 38.000 -0.169 0.000 1.223 61 I HN 0.262 nan 8.210 nan 0.000 0.443 62 S N 4.977 120.692 115.700 0.024 0.000 2.502 62 S HA 0.393 4.862 4.470 -0.001 0.000 0.304 62 S C 0.290 174.934 174.600 0.073 0.000 1.097 62 S CA -0.568 57.634 58.200 0.003 0.000 1.045 62 S CB 1.328 64.522 63.200 -0.011 0.000 1.019 62 S HN 0.731 nan 8.310 nan 0.000 0.481 63 N N 2.619 121.346 118.700 0.044 0.000 2.725 63 N HA -0.164 4.575 4.740 -0.001 0.000 0.249 63 N C -0.749 174.886 175.510 0.209 0.000 1.103 63 N CA 1.150 54.264 53.050 0.107 0.000 0.707 63 N CB -1.032 37.519 38.487 0.107 0.000 1.043 63 N HN 0.846 nan 8.380 nan 0.000 0.553 64 D N -2.628 117.822 120.400 0.083 0.000 3.076 64 D HA -0.196 4.444 4.640 -0.001 0.000 0.218 64 D C -0.220 176.103 176.300 0.038 0.000 1.156 64 D CA 1.337 55.352 54.000 0.026 0.000 0.921 64 D CB -1.457 39.341 40.800 -0.004 0.000 1.113 64 D HN 0.665 nan 8.370 nan 0.000 0.418 65 H N -0.412 118.718 119.070 0.101 0.000 2.524 65 H HA 0.584 5.139 4.556 -0.001 0.000 0.353 65 H C 0.389 175.779 175.328 0.104 0.000 1.136 65 H CA -0.759 55.364 56.048 0.125 0.000 1.193 65 H CB 1.598 31.401 29.762 0.068 0.000 1.558 65 H HN 0.080 nan 8.280 nan 0.000 0.515 66 I N 1.778 122.450 120.570 0.170 0.000 2.634 66 I HA 0.110 4.279 4.170 -0.001 0.000 0.284 66 I C -0.456 175.445 176.117 -0.360 0.000 1.124 66 I CA 0.679 61.958 61.300 -0.035 0.000 1.417 66 I CB 0.272 38.155 38.000 -0.195 0.000 1.396 66 I HN 0.714 nan 8.210 nan 0.000 0.571 67 D N 3.587 123.816 120.400 -0.285 0.000 2.615 67 D HA 0.316 4.955 4.640 -0.001 0.000 0.267 67 D C -0.899 175.471 176.300 0.118 0.000 1.236 67 D CA -0.197 53.712 54.000 -0.151 0.000 0.839 67 D CB 1.694 42.521 40.800 0.044 0.000 1.380 67 D HN 0.631 nan 8.370 nan 0.000 0.433 68 T N -1.387 113.364 114.554 0.329 0.000 2.802 68 T HA 0.074 4.423 4.350 -0.001 0.000 0.305 68 T C 0.368 175.292 174.700 0.373 0.000 1.053 68 T CA -0.306 62.032 62.100 0.396 0.000 1.058 68 T CB 0.888 69.898 68.868 0.238 0.000 0.988 68 T HN 0.534 nan 8.240 nan 0.000 0.539 69 W N 0.462 121.916 121.300 0.256 0.000 3.227 69 W HA 0.340 4.999 4.660 -0.002 0.000 0.246 69 W C 0.404 177.071 176.519 0.247 0.000 1.007 69 W CA 0.090 57.590 57.345 0.257 0.000 1.925 69 W CB -0.058 29.604 29.460 0.336 0.000 1.062 69 W HN 0.669 nan 8.180 nan 0.000 0.649 70 E N 1.418 121.997 120.200 0.631 0.000 2.349 70 E HA 0.021 4.370 4.350 -0.001 0.000 0.265 70 E C 1.404 178.163 176.600 0.264 0.000 1.064 70 E CA -0.128 56.565 56.400 0.488 0.000 0.886 70 E CB 0.184 30.108 29.700 0.374 0.000 1.036 70 E HN 0.205 nan 8.360 nan 0.000 0.413 71 W N 3.959 125.404 121.300 0.241 0.000 2.350 71 W HA -0.165 4.494 4.660 -0.001 0.000 0.289 71 W C 0.450 177.045 176.519 0.127 0.000 1.215 71 W CA 1.339 58.779 57.345 0.158 0.000 1.236 71 W CB -0.619 28.931 29.460 0.151 0.000 1.130 71 W HN 0.505 nan 8.180 nan 0.000 0.541 72 N N 0.549 118.658 118.700 -0.985 0.000 2.273 72 N HA -0.046 4.693 4.740 -0.001 0.000 0.231 72 N C 0.553 175.764 175.510 -0.498 0.000 1.134 72 N CA 0.166 52.659 53.050 -0.929 0.000 0.856 72 N CB -0.741 36.773 38.487 -1.621 0.000 1.068 72 N HN -0.080 nan 8.380 nan 0.000 0.510 73 D N 0.950 121.123 120.400 -0.380 0.000 2.116 73 D HA -0.120 4.519 4.640 -0.001 0.000 0.193 73 D C 1.807 177.509 176.300 -0.996 0.000 0.998 73 D CA 0.957 54.623 54.000 -0.558 0.000 0.836 73 D CB 0.074 40.560 40.800 -0.523 0.000 0.951 73 D HN 0.088 nan 8.370 nan 0.000 0.449 74 V N 1.045 120.508 119.914 -0.751 0.000 2.324 74 V HA -0.288 3.832 4.120 -0.001 0.000 0.250 74 V C 2.522 178.445 176.094 -0.286 0.000 1.060 74 V CA 2.122 64.107 62.300 -0.524 0.000 1.042 74 V CB -0.870 30.839 31.823 -0.190 0.000 0.650 74 V HN 0.248 nan 8.190 nan 0.000 0.450 75 T N 0.376 114.784 114.554 -0.244 0.000 2.737 75 T HA -0.088 4.261 4.350 -0.001 0.000 0.265 75 T C 1.865 176.501 174.700 -0.106 0.000 1.038 75 T CA 1.519 63.533 62.100 -0.143 0.000 1.144 75 T CB -0.289 68.495 68.868 -0.141 0.000 0.866 75 T HN 0.320 nan 8.240 nan 0.000 0.434 76 L N -0.265 120.890 121.223 -0.113 0.000 2.131 76 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 76 L C 2.564 179.443 176.870 0.016 0.000 1.092 76 L CA 1.264 56.121 54.840 0.028 0.000 0.759 76 L CB -0.769 41.406 42.059 0.194 0.000 0.903 76 L HN 0.248 nan 8.230 nan 0.000 0.435 77 Y N 0.884 121.024 120.300 -0.267 0.000 2.128 77 Y HA -0.167 4.382 4.550 -0.001 0.000 0.284 77 Y C 2.669 178.375 175.900 -0.322 0.000 1.154 77 Y CA 1.043 58.917 58.100 -0.377 0.000 1.149 77 Y CB -1.484 36.779 38.460 -0.328 0.000 0.976 77 Y HN 0.117 nan 8.280 nan 0.000 0.505 78 G N -0.914 107.861 108.800 -0.041 0.000 2.422 78 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 78 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 78 G C 1.874 176.712 174.900 -0.103 0.000 1.146 78 G CA 0.848 45.894 45.100 -0.091 0.000 0.769 78 G HN 0.337 nan 8.290 nan 0.000 0.547 79 M N -0.452 119.103 119.600 -0.075 0.000 2.117 79 M HA -0.008 4.471 4.480 -0.001 0.000 0.262 79 M C 2.348 178.582 176.300 -0.110 0.000 1.065 79 M CA 1.159 56.414 55.300 -0.075 0.000 1.114 79 M CB -0.087 32.494 32.600 -0.033 0.000 1.361 79 M HN 0.307 nan 8.290 nan 0.000 0.408 80 L N 0.562 121.716 121.223 -0.116 0.000 2.044 80 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 80 L C 1.770 178.532 176.870 -0.180 0.000 1.075 80 L CA 1.863 56.617 54.840 -0.143 0.000 0.747 80 L CB -0.927 41.094 42.059 -0.062 0.000 0.903 80 L HN 0.273 nan 8.230 nan 0.000 0.435 81 N N -0.842 117.717 118.700 -0.236 0.000 2.453 81 N HA -0.125 4.614 4.740 -0.001 0.000 0.183 81 N C 1.585 176.981 175.510 -0.190 0.000 1.041 81 N CA 1.459 54.355 53.050 -0.257 0.000 0.900 81 N CB -0.345 37.929 38.487 -0.355 0.000 0.961 81 N HN 0.441 nan 8.380 nan 0.000 0.443 82 T N 1.757 116.215 114.554 -0.159 0.000 2.833 82 T HA 0.011 4.360 4.350 -0.001 0.000 0.269 82 T C 2.037 176.652 174.700 -0.142 0.000 1.054 82 T CA 0.434 62.455 62.100 -0.132 0.000 1.135 82 T CB -0.092 68.712 68.868 -0.108 0.000 0.869 82 T HN 0.208 nan 8.240 nan 0.000 0.466 83 L N 0.472 121.597 121.223 -0.163 0.000 2.261 83 L HA -0.098 4.241 4.340 -0.001 0.000 0.216 83 L C 2.433 179.169 176.870 -0.222 0.000 1.114 83 L CA 1.218 55.940 54.840 -0.197 0.000 0.777 83 L CB -0.496 41.437 42.059 -0.210 0.000 0.910 83 L HN 0.229 nan 8.230 nan 0.000 0.440 84 K N -0.267 120.020 120.400 -0.188 0.000 2.439 84 K HA -0.057 4.262 4.320 -0.001 0.000 0.197 84 K C 1.640 178.155 176.600 -0.142 0.000 1.041 84 K CA 0.356 56.538 56.287 -0.174 0.000 0.970 84 K CB -0.061 32.347 32.500 -0.153 0.000 0.773 84 K HN 0.338 nan 8.250 nan 0.000 0.479 85 N N 1.284 119.906 118.700 -0.129 0.000 2.120 85 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 85 N C 1.296 176.761 175.510 -0.074 0.000 1.024 85 N CA 1.264 54.259 53.050 -0.092 0.000 0.852 85 N CB -0.018 38.421 38.487 -0.080 0.000 1.003 85 N HN 0.224 nan 8.380 nan 0.000 0.424 86 R N -0.240 120.200 120.500 -0.099 0.000 2.334 86 R HA 0.162 4.501 4.340 -0.001 0.000 0.216 86 R C 0.029 176.302 176.300 -0.046 0.000 0.905 86 R CA 0.017 56.093 56.100 -0.040 0.000 1.064 86 R CB 0.200 30.491 30.300 -0.015 0.000 1.046 86 R HN 0.016 nan 8.270 nan 0.000 0.508 87 N N 0.530 119.123 118.700 -0.178 0.000 2.750 87 N HA 0.176 4.915 4.740 -0.001 0.000 0.253 87 N C -2.399 173.045 175.510 -0.110 0.000 1.408 87 N CA -2.066 50.880 53.050 -0.173 0.000 0.780 87 N CB 1.392 39.539 38.487 -0.566 0.000 1.191 87 N HN -0.222 nan 8.380 nan 0.000 0.511 88 P HA -0.044 nan 4.420 nan 0.000 0.218 88 P C 0.415 177.682 177.300 -0.055 0.000 1.146 88 P CA 1.202 64.273 63.100 -0.049 0.000 0.813 88 P CB 0.376 32.062 31.700 -0.022 0.000 0.778 89 N N -1.349 117.327 118.700 -0.040 0.000 2.446 89 N HA -0.002 4.737 4.740 -0.001 0.000 0.179 89 N C 0.372 175.820 175.510 -0.104 0.000 1.054 89 N CA 0.029 53.049 53.050 -0.051 0.000 0.905 89 N CB -0.577 37.903 38.487 -0.012 0.000 0.973 89 N HN 0.096 nan 8.380 nan 0.000 0.448 90 L N 1.198 122.347 121.223 -0.124 0.000 2.513 90 L HA 0.122 4.461 4.340 -0.001 0.000 0.272 90 L C -0.185 176.575 176.870 -0.182 0.000 1.187 90 L CA 0.255 54.995 54.840 -0.167 0.000 0.895 90 L CB 0.260 42.207 42.059 -0.187 0.000 1.147 90 L HN -0.131 nan 8.230 nan 0.000 0.483 91 K N 2.725 122.970 120.400 -0.258 0.000 2.156 91 K HA 0.693 5.012 4.320 -0.001 0.000 0.250 91 K C -0.646 175.903 176.600 -0.085 0.000 0.955 91 K CA -0.432 55.728 56.287 -0.211 0.000 0.855 91 K CB 1.888 34.164 32.500 -0.373 0.000 1.101 91 K HN 0.696 nan 8.250 nan 0.000 0.434 92 T N 2.073 116.638 114.554 0.019 0.000 2.893 92 T HA 0.702 5.051 4.350 -0.001 0.000 0.293 92 T C -1.280 173.588 174.700 0.281 0.000 1.027 92 T CA -0.667 61.512 62.100 0.133 0.000 0.988 92 T CB 0.910 69.815 68.868 0.061 0.000 1.043 92 T HN 0.178 nan 8.240 nan 0.000 0.461 93 L N 2.154 123.561 121.223 0.307 0.000 2.376 93 L HA 0.716 5.055 4.340 -0.001 0.000 0.258 93 L C -1.334 175.512 176.870 -0.040 0.000 1.013 93 L CA -0.865 54.087 54.840 0.186 0.000 0.822 93 L CB 1.772 43.924 42.059 0.156 0.000 1.388 93 L HN 0.442 nan 8.230 nan 0.000 0.413 94 L N 0.696 121.699 121.223 -0.366 0.000 2.305 94 L HA 0.700 5.039 4.340 -0.001 0.000 0.284 94 L C -0.226 176.612 176.870 -0.053 0.000 1.013 94 L CA 0.153 54.678 54.840 -0.525 0.000 0.819 94 L CB 1.630 43.016 42.059 -1.122 0.000 1.227 94 L HN 0.578 nan 8.230 nan 0.000 0.417 95 S N 3.877 119.660 115.700 0.138 0.000 2.499 95 S HA 0.624 5.093 4.470 -0.001 0.000 0.279 95 S C -0.865 174.001 174.600 0.444 0.000 1.219 95 S CA -0.495 57.913 58.200 0.346 0.000 1.062 95 S CB 1.099 64.612 63.200 0.521 0.000 0.978 95 S HN 0.649 nan 8.310 nan 0.000 0.489 96 V N 6.070 126.215 119.914 0.385 0.000 2.417 96 V HA 0.835 4.954 4.120 -0.001 0.000 0.291 96 V C 0.677 176.841 176.094 0.118 0.000 1.024 96 V CA 1.126 63.572 62.300 0.244 0.000 0.861 96 V CB 0.459 32.399 31.823 0.195 0.000 0.985 96 V HN 1.326 nan 8.190 nan 0.000 0.436 97 G N 4.401 113.036 108.800 -0.276 0.000 2.436 97 G HA2 0.480 4.439 3.960 -0.001 0.000 0.205 97 G HA3 0.480 4.439 3.960 -0.001 0.000 0.205 97 G C 0.684 175.087 174.900 -0.828 0.000 1.188 97 G CA 0.155 44.934 45.100 -0.535 0.000 1.267 97 G HN 2.625 nan 8.290 nan 0.000 0.536 98 G N -1.880 106.382 108.800 -0.896 0.000 2.663 98 G HA2 0.084 4.043 3.960 -0.001 0.000 0.686 98 G HA3 0.084 4.043 3.960 -0.001 0.000 0.686 98 G C 0.694 175.325 174.900 -0.449 0.000 1.246 98 G CA 0.458 44.735 45.100 -1.371 0.000 0.795 98 G HN 1.885 nan 8.290 nan 0.000 0.627 99 W N 0.817 121.865 121.300 -0.421 0.000 2.325 99 W HA -0.128 4.531 4.660 -0.002 0.000 0.299 99 W C 1.437 177.850 176.519 -0.177 0.000 1.215 99 W CA 1.802 58.989 57.345 -0.263 0.000 1.244 99 W CB 0.061 29.395 29.460 -0.209 0.000 1.140 99 W HN 0.531 nan 8.180 nan 0.000 0.523 100 N N 0.315 118.936 118.700 -0.132 0.000 2.362 100 N HA -0.021 4.718 4.740 -0.001 0.000 0.211 100 N C 0.789 176.288 175.510 -0.019 0.000 1.170 100 N CA 0.351 53.326 53.050 -0.125 0.000 0.828 100 N CB -0.883 37.558 38.487 -0.076 0.000 1.034 100 N HN 0.135 nan 8.380 nan 0.000 0.475 101 F N 0.869 120.697 119.950 -0.204 0.000 2.220 101 F HA 0.283 4.809 4.527 -0.001 0.000 0.290 101 F C 1.052 176.773 175.800 -0.132 0.000 1.080 101 F CA 0.916 58.866 58.000 -0.084 0.000 1.318 101 F CB 0.231 39.154 39.000 -0.129 0.000 1.063 101 F HN 0.083 nan 8.300 nan 0.000 0.498 102 G N 0.398 109.141 108.800 -0.094 0.000 3.035 102 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.674 102 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.674 102 G C 0.626 175.516 174.900 -0.016 0.000 1.159 102 G CA 0.145 45.138 45.100 -0.179 0.000 1.098 102 G HN 0.701 nan 8.290 nan 0.000 0.473 103 S N 0.862 116.584 115.700 0.037 0.000 2.407 103 S HA -0.269 4.201 4.470 -0.001 0.000 0.235 103 S C 2.157 176.847 174.600 0.150 0.000 1.036 103 S CA 1.992 60.327 58.200 0.224 0.000 1.013 103 S CB -0.163 63.205 63.200 0.280 0.000 0.820 103 S HN 0.713 nan 8.310 nan 0.000 0.476 104 Q N 1.783 121.599 119.800 0.027 0.000 2.030 104 Q HA -0.082 4.257 4.340 -0.001 0.000 0.204 104 Q C 2.554 178.516 176.000 -0.062 0.000 0.986 104 Q CA 1.702 57.498 55.803 -0.012 0.000 0.843 104 Q CB -0.567 28.132 28.738 -0.065 0.000 0.904 104 Q HN 0.710 nan 8.270 nan 0.000 0.420 105 R N -0.484 119.928 120.500 -0.148 0.000 2.073 105 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 105 R C 2.299 178.503 176.300 -0.160 0.000 1.134 105 R CA 1.077 57.046 56.100 -0.218 0.000 0.952 105 R CB -0.582 29.442 30.300 -0.461 0.000 0.850 105 R HN 0.158 nan 8.270 nan 0.000 0.433 106 F N 1.566 121.372 119.950 -0.240 0.000 2.161 106 F HA -0.223 4.303 4.527 -0.002 0.000 0.300 106 F C 2.807 178.110 175.800 -0.828 0.000 1.089 106 F CA 1.402 59.016 58.000 -0.643 0.000 1.282 106 F CB -0.603 37.647 39.000 -1.251 0.000 1.010 106 F HN -0.035 nan 8.300 nan 0.000 0.485 107 S N -0.312 115.245 115.700 -0.239 0.000 2.348 107 S HA -0.211 4.259 4.470 -0.001 0.000 0.221 107 S C 2.185 176.763 174.600 -0.038 0.000 1.033 107 S CA 1.484 59.703 58.200 0.032 0.000 1.010 107 S CB -0.244 63.097 63.200 0.235 0.000 0.891 107 S HN 0.361 nan 8.310 nan 0.000 0.442 108 K N 0.356 120.715 120.400 -0.069 0.000 2.113 108 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 108 K C 2.007 178.544 176.600 -0.106 0.000 1.047 108 K CA 1.753 57.990 56.287 -0.082 0.000 0.928 108 K CB -0.366 32.081 32.500 -0.088 0.000 0.716 108 K HN 0.480 nan 8.250 nan 0.000 0.446 109 I N 0.498 120.981 120.570 -0.144 0.000 2.233 109 I HA -0.206 3.963 4.170 -0.001 0.000 0.243 109 I C 2.452 178.516 176.117 -0.088 0.000 1.093 109 I CA 1.017 62.227 61.300 -0.150 0.000 1.380 109 I CB -0.319 37.510 38.000 -0.284 0.000 1.067 109 I HN 0.099 nan 8.210 nan 0.000 0.413 110 A N 0.650 123.427 122.820 -0.072 0.000 2.014 110 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 110 A C 2.459 180.012 177.584 -0.053 0.000 1.163 110 A CA 1.693 53.760 52.037 0.051 0.000 0.652 110 A CB -0.567 18.575 19.000 0.237 0.000 0.808 110 A HN 0.511 nan 8.150 nan 0.000 0.449 111 S N -0.062 115.501 115.700 -0.227 0.000 2.425 111 S HA -0.025 4.444 4.470 -0.001 0.000 0.225 111 S C 0.906 175.366 174.600 -0.234 0.000 1.024 111 S CA 0.294 58.155 58.200 -0.565 0.000 0.951 111 S CB -0.496 62.390 63.200 -0.524 0.000 0.796 111 S HN 0.505 nan 8.310 nan 0.000 0.498 112 N N 1.982 120.611 118.700 -0.118 0.000 2.420 112 N HA 0.138 4.877 4.740 -0.001 0.000 0.262 112 N C 0.436 175.934 175.510 -0.020 0.000 1.144 112 N CA 0.326 53.344 53.050 -0.054 0.000 0.952 112 N CB 1.111 39.571 38.487 -0.045 0.000 1.081 112 N HN 0.225 nan 8.380 nan 0.000 0.480 113 T N 3.574 118.128 114.554 -0.000 0.000 2.737 113 T HA -0.196 4.153 4.350 -0.001 0.000 0.269 113 T C 1.443 176.154 174.700 0.018 0.000 1.040 113 T CA 1.610 63.721 62.100 0.019 0.000 1.142 113 T CB 0.121 69.004 68.868 0.025 0.000 0.861 113 T HN 0.582 nan 8.240 nan 0.000 0.456 114 Q N 0.821 120.627 119.800 0.010 0.000 2.049 114 Q HA 0.079 4.418 4.340 -0.001 0.000 0.198 114 Q C 2.754 178.760 176.000 0.010 0.000 0.971 114 Q CA 1.212 57.022 55.803 0.011 0.000 0.833 114 Q CB -0.449 28.294 28.738 0.009 0.000 0.896 114 Q HN 0.335 nan 8.270 nan 0.000 0.434 115 S N 0.444 116.146 115.700 0.003 0.000 2.382 115 S HA -0.177 4.292 4.470 -0.001 0.000 0.228 115 S C 1.829 176.452 174.600 0.039 0.000 1.027 115 S CA 1.289 59.489 58.200 0.000 0.000 0.991 115 S CB -0.202 62.980 63.200 -0.029 0.000 0.823 115 S HN 0.298 nan 8.310 nan 0.000 0.469 116 R N 0.997 121.527 120.500 0.051 0.000 2.081 116 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 116 R C 2.444 178.811 176.300 0.112 0.000 1.131 116 R CA 1.387 57.555 56.100 0.113 0.000 0.960 116 R CB -0.118 30.235 30.300 0.089 0.000 0.856 116 R HN 0.116 nan 8.270 nan 0.000 0.436 117 R N 0.184 120.716 120.500 0.053 0.000 2.073 117 R HA -0.049 4.290 4.340 -0.001 0.000 0.234 117 R C 1.919 178.220 176.300 0.001 0.000 1.134 117 R CA 2.507 58.621 56.100 0.024 0.000 0.952 117 R CB -1.001 29.307 30.300 0.015 0.000 0.850 117 R HN 0.196 nan 8.270 nan 0.000 0.433 118 T N 1.064 115.609 114.554 -0.015 0.000 2.665 118 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 118 T C 1.433 176.048 174.700 -0.141 0.000 1.035 118 T CA 1.645 63.680 62.100 -0.109 0.000 1.151 118 T CB -0.543 68.241 68.868 -0.140 0.000 0.862 118 T HN 0.267 nan 8.240 nan 0.000 0.438 119 F N 1.762 121.605 119.950 -0.179 0.000 2.069 119 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 119 F C 2.050 177.815 175.800 -0.059 0.000 1.113 119 F CA 0.817 58.734 58.000 -0.137 0.000 1.214 119 F CB -0.722 38.228 39.000 -0.083 0.000 0.978 119 F HN 0.096 nan 8.300 nan 0.000 0.474 120 I N 0.359 120.806 120.570 -0.206 0.000 2.163 120 I HA -0.357 3.813 4.170 -0.001 0.000 0.243 120 I C 2.595 178.624 176.117 -0.146 0.000 1.085 120 I CA 1.897 63.046 61.300 -0.251 0.000 1.347 120 I CB -0.645 37.302 38.000 -0.087 0.000 1.044 120 I HN 0.162 nan 8.210 nan 0.000 0.408 121 K N 0.948 121.298 120.400 -0.084 0.000 2.097 121 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 121 K C 2.227 178.815 176.600 -0.020 0.000 1.049 121 K CA 1.850 58.118 56.287 -0.030 0.000 0.933 121 K CB -0.056 32.434 32.500 -0.016 0.000 0.717 121 K HN 0.385 nan 8.250 nan 0.000 0.442 122 S N -0.445 115.212 115.700 -0.071 0.000 2.481 122 S HA -0.042 4.427 4.470 -0.001 0.000 0.231 122 S C 1.843 176.460 174.600 0.029 0.000 0.996 122 S CA 0.734 58.946 58.200 0.019 0.000 0.942 122 S CB -0.066 63.144 63.200 0.015 0.000 0.768 122 S HN 0.097 nan 8.310 nan 0.000 0.520 123 V N 3.009 122.873 119.914 -0.083 0.000 2.244 123 V HA -0.020 4.100 4.120 -0.001 0.000 0.244 123 V C -0.259 175.872 176.094 0.062 0.000 1.042 123 V CA 1.696 63.981 62.300 -0.026 0.000 1.006 123 V CB -1.734 30.048 31.823 -0.068 0.000 0.641 123 V HN 0.361 nan 8.190 nan 0.000 0.446 124 P HA -0.118 nan 4.420 nan 0.000 0.215 124 P C -1.378 175.927 177.300 0.008 0.000 1.157 124 P CA 2.074 65.133 63.100 -0.069 0.000 0.874 124 P CB -1.235 30.432 31.700 -0.055 0.000 0.790 125 P HA -0.180 nan 4.420 nan 0.000 0.215 125 P C 1.508 178.872 177.300 0.107 0.000 1.157 125 P CA 1.126 64.268 63.100 0.070 0.000 0.868 125 P CB -0.504 31.256 31.700 0.101 0.000 0.788 126 F N -0.097 119.889 119.950 0.060 0.000 2.126 126 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 126 F C 2.000 177.916 175.800 0.193 0.000 1.096 126 F CA 1.507 59.600 58.000 0.156 0.000 1.255 126 F CB -0.737 38.377 39.000 0.190 0.000 0.997 126 F HN -0.246 nan 8.300 nan 0.000 0.479 127 L N -0.550 120.832 121.223 0.265 0.000 2.056 127 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 127 L C 2.638 179.549 176.870 0.068 0.000 1.078 127 L CA 0.850 55.811 54.840 0.201 0.000 0.749 127 L CB -0.660 41.450 42.059 0.086 0.000 0.901 127 L HN -0.002 nan 8.230 nan 0.000 0.433 128 R N -0.293 120.196 120.500 -0.018 0.000 2.092 128 R HA -0.071 4.268 4.340 -0.001 0.000 0.231 128 R C 2.231 178.452 176.300 -0.132 0.000 1.119 128 R CA 1.468 57.525 56.100 -0.071 0.000 0.970 128 R CB -1.254 29.004 30.300 -0.070 0.000 0.864 128 R HN 0.298 nan 8.270 nan 0.000 0.440 129 T N 0.083 114.516 114.554 -0.201 0.000 2.833 129 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 129 T C 0.869 175.248 174.700 -0.535 0.000 1.054 129 T CA 1.393 63.262 62.100 -0.385 0.000 1.135 129 T CB -0.165 68.387 68.868 -0.526 0.000 0.869 129 T HN 0.488 nan 8.240 nan 0.000 0.466 130 H N -0.833 118.128 119.070 -0.182 0.000 2.542 130 H HA 0.436 4.991 4.556 -0.001 0.000 0.283 130 H C 1.475 176.602 175.328 -0.335 0.000 1.059 130 H CA 0.089 56.022 56.048 -0.192 0.000 1.162 130 H CB 0.384 30.074 29.762 -0.120 0.000 1.539 130 H HN 0.362 nan 8.280 nan 0.000 0.543 131 G N 0.386 109.067 108.800 -0.197 0.000 2.147 131 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.244 131 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.244 131 G C -0.277 174.411 174.900 -0.353 0.000 1.005 131 G CA -0.254 44.684 45.100 -0.271 0.000 0.713 131 G HN 0.211 nan 8.290 nan 0.000 0.515 132 F N 0.393 120.275 119.950 -0.113 0.000 2.379 132 F HA 0.449 4.975 4.527 -0.001 0.000 0.332 132 F C 1.294 177.042 175.800 -0.087 0.000 1.096 132 F CA -0.753 57.185 58.000 -0.104 0.000 1.105 132 F CB 1.038 39.974 39.000 -0.107 0.000 1.189 132 F HN -0.021 nan 8.300 nan 0.000 0.515 133 D N 1.082 121.574 120.400 0.153 0.000 2.339 133 D HA 0.243 4.882 4.640 -0.001 0.000 0.217 133 D C 0.786 177.121 176.300 0.058 0.000 1.050 133 D CA 0.524 54.562 54.000 0.063 0.000 0.856 133 D CB 0.667 41.495 40.800 0.046 0.000 0.922 133 D HN 0.669 nan 8.370 nan 0.000 0.518 134 G N 0.330 109.183 108.800 0.088 0.000 2.342 134 G HA2 0.374 4.333 3.960 -0.001 0.000 0.297 134 G HA3 0.374 4.333 3.960 -0.001 0.000 0.297 134 G C -2.295 172.652 174.900 0.079 0.000 1.313 134 G CA -0.809 44.326 45.100 0.058 0.000 0.830 134 G HN 0.055 nan 8.290 nan 0.000 0.506 135 L N 0.190 121.519 121.223 0.176 0.000 2.346 135 L HA 0.846 5.185 4.340 -0.001 0.000 0.274 135 L C -1.292 175.661 176.870 0.139 0.000 1.007 135 L CA -0.626 54.317 54.840 0.172 0.000 0.818 135 L CB 2.208 44.452 42.059 0.309 0.000 1.284 135 L HN 0.608 nan 8.230 nan 0.000 0.424 136 D N 3.708 124.195 120.400 0.146 0.000 2.408 136 D HA 0.384 5.023 4.640 -0.001 0.000 0.243 136 D C -1.211 175.243 176.300 0.257 0.000 1.075 136 D CA -0.137 53.963 54.000 0.166 0.000 0.832 136 D CB 1.020 41.955 40.800 0.225 0.000 1.162 136 D HN 0.534 nan 8.370 nan 0.000 0.515 137 L N 3.124 124.486 121.223 0.230 0.000 2.278 137 L HA 0.581 4.920 4.340 -0.001 0.000 0.287 137 L C 0.222 177.283 176.870 0.318 0.000 1.072 137 L CA -0.675 54.346 54.840 0.301 0.000 0.819 137 L CB 1.376 43.593 42.059 0.263 0.000 1.176 137 L HN 0.577 nan 8.230 nan 0.000 0.435 138 A N 4.412 127.428 122.820 0.327 0.000 3.165 138 A HA 0.175 4.494 4.320 -0.001 0.000 0.331 138 A C -0.936 176.733 177.584 0.142 0.000 1.034 138 A CA -0.444 51.749 52.037 0.261 0.000 0.906 138 A CB -0.035 19.180 19.000 0.359 0.000 1.054 138 A HN 0.714 nan 8.150 nan 0.000 0.484 139 W N 3.682 124.844 121.300 -0.230 0.000 2.433 139 W HA 0.518 5.177 4.660 -0.002 0.000 0.331 139 W C -1.342 174.961 176.519 -0.360 0.000 1.110 139 W CA -1.149 55.870 57.345 -0.543 0.000 1.450 139 W CB 0.250 29.113 29.460 -0.995 0.000 1.348 139 W HN 0.371 nan 8.180 nan 0.000 0.415 140 L N 9.134 130.342 121.223 -0.025 0.000 2.335 140 L HA 0.357 4.696 4.340 -0.001 0.000 0.268 140 L C -1.154 175.390 176.870 -0.544 0.000 1.037 140 L CA -0.653 53.748 54.840 -0.730 0.000 0.895 140 L CB -0.374 41.153 42.059 -0.887 0.000 1.266 140 L HN 0.215 nan 8.230 nan 0.000 0.439 141 Y N 1.117 121.423 120.300 0.010 0.000 2.625 141 Y HA 0.539 5.088 4.550 -0.001 0.000 0.338 141 Y C -2.495 173.042 175.900 -0.604 0.000 1.123 141 Y CA -2.916 55.020 58.100 -0.274 0.000 1.046 141 Y CB 1.139 39.440 38.460 -0.266 0.000 1.299 141 Y HN 0.269 nan 8.280 nan 0.000 0.464 142 P HA 0.148 nan 4.420 nan 0.000 0.269 142 P C 0.031 177.035 177.300 -0.494 0.000 1.217 142 P CA 0.152 62.517 63.100 -1.225 0.000 0.783 142 P CB 0.624 31.425 31.700 -1.499 0.000 0.898 143 G N -0.013 108.634 108.800 -0.254 0.000 2.557 143 G HA2 0.453 4.413 3.960 -0.001 0.000 0.302 143 G HA3 0.453 4.413 3.960 -0.001 0.000 0.302 143 G C 1.170 175.969 174.900 -0.168 0.000 1.311 143 G CA -0.247 44.764 45.100 -0.147 0.000 1.030 143 G HN 0.417 nan 8.290 nan 0.000 0.509 144 R N -1.472 118.956 120.500 -0.121 0.000 2.120 144 R HA 0.034 4.374 4.340 -0.001 0.000 0.234 144 R C 2.639 178.892 176.300 -0.078 0.000 1.123 144 R CA 2.247 58.281 56.100 -0.110 0.000 0.975 144 R CB -1.526 28.724 30.300 -0.082 0.000 0.866 144 R HN 0.810 nan 8.270 nan 0.000 0.446 145 R N 1.211 121.688 120.500 -0.038 0.000 2.235 145 R HA 0.002 4.341 4.340 -0.001 0.000 0.213 145 R C 1.412 177.743 176.300 0.052 0.000 1.059 145 R CA 1.318 57.424 56.100 0.010 0.000 0.997 145 R CB -0.495 29.838 30.300 0.054 0.000 0.884 145 R HN 0.634 nan 8.270 nan 0.000 0.462 146 D N -0.865 119.554 120.400 0.032 0.000 2.398 146 D HA 0.049 4.688 4.640 -0.001 0.000 0.210 146 D C 1.199 177.470 176.300 -0.049 0.000 1.094 146 D CA 0.037 54.108 54.000 0.119 0.000 0.839 146 D CB 0.483 41.365 40.800 0.136 0.000 0.963 146 D HN 0.494 nan 8.370 nan 0.000 0.506 147 K N 1.007 121.338 120.400 -0.116 0.000 2.034 147 K HA -0.260 4.059 4.320 -0.001 0.000 0.214 147 K C 1.754 178.358 176.600 0.007 0.000 1.051 147 K CA 1.534 57.775 56.287 -0.077 0.000 0.931 147 K CB 0.296 32.744 32.500 -0.086 0.000 0.715 147 K HN -0.133 nan 8.250 nan 0.000 0.446 148 Q N -0.494 119.255 119.800 -0.084 0.000 2.119 148 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 148 Q C 2.030 178.032 176.000 0.004 0.000 0.972 148 Q CA 1.487 57.242 55.803 -0.079 0.000 0.847 148 Q CB -0.219 28.415 28.738 -0.174 0.000 0.903 148 Q HN 0.478 nan 8.270 nan 0.000 0.433 149 H N -1.161 117.987 119.070 0.128 0.000 2.353 149 H HA -0.129 4.426 4.556 -0.001 0.000 0.300 149 H C 1.744 177.233 175.328 0.268 0.000 1.090 149 H CA 1.252 57.418 56.048 0.196 0.000 1.327 149 H CB -0.523 29.401 29.762 0.270 0.000 1.383 149 H HN 0.232 nan 8.280 nan 0.000 0.508 150 F N 1.889 121.933 119.950 0.157 0.000 2.095 150 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 150 F C 2.347 178.193 175.800 0.077 0.000 1.104 150 F CA 1.600 59.646 58.000 0.077 0.000 1.232 150 F CB -0.605 38.289 39.000 -0.176 0.000 0.987 150 F HN -0.000 nan 8.300 nan 0.000 0.475 151 T N -0.605 113.985 114.554 0.061 0.000 2.708 151 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 151 T C 1.921 176.577 174.700 -0.073 0.000 1.037 151 T CA 2.143 64.212 62.100 -0.052 0.000 1.146 151 T CB -0.640 68.240 68.868 0.020 0.000 0.865 151 T HN 0.289 nan 8.240 nan 0.000 0.435 152 T N 2.429 116.990 114.554 0.011 0.000 2.708 152 T HA -0.056 4.293 4.350 -0.001 0.000 0.266 152 T C 1.900 176.584 174.700 -0.026 0.000 1.037 152 T CA 0.988 63.090 62.100 0.003 0.000 1.146 152 T CB -0.517 68.405 68.868 0.090 0.000 0.865 152 T HN 0.135 nan 8.240 nan 0.000 0.435 153 L N 1.165 122.415 121.223 0.044 0.000 1.990 153 L HA -0.041 4.298 4.340 -0.001 0.000 0.213 153 L C 2.169 178.983 176.870 -0.094 0.000 1.072 153 L CA 1.663 56.536 54.840 0.054 0.000 0.755 153 L CB -0.729 41.456 42.059 0.210 0.000 0.889 153 L HN 0.285 nan 8.230 nan 0.000 0.432 154 I N -0.562 119.876 120.570 -0.220 0.000 2.226 154 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 154 I C 2.608 178.527 176.117 -0.330 0.000 1.100 154 I CA 1.598 62.718 61.300 -0.300 0.000 1.374 154 I CB -0.447 37.315 38.000 -0.396 0.000 1.057 154 I HN 0.367 nan 8.210 nan 0.000 0.413 155 K N 1.293 121.457 120.400 -0.394 0.000 2.026 155 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 155 K C 1.911 178.262 176.600 -0.414 0.000 1.048 155 K CA 1.740 57.625 56.287 -0.671 0.000 0.929 155 K CB -0.029 32.132 32.500 -0.565 0.000 0.713 155 K HN 0.344 nan 8.250 nan 0.000 0.439 156 E N 0.102 120.151 120.200 -0.250 0.000 2.152 156 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 156 E C 1.939 178.420 176.600 -0.199 0.000 0.983 156 E CA 1.051 57.349 56.400 -0.169 0.000 0.818 156 E CB -0.064 29.584 29.700 -0.088 0.000 0.758 156 E HN 0.253 nan 8.360 nan 0.000 0.467 157 M N 1.378 120.816 119.600 -0.269 0.000 2.117 157 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 157 M C 1.998 177.895 176.300 -0.671 0.000 1.065 157 M CA 1.598 56.633 55.300 -0.441 0.000 1.114 157 M CB 0.057 32.370 32.600 -0.479 0.000 1.361 157 M HN -0.221 nan 8.290 nan 0.000 0.408 158 K N 0.332 120.430 120.400 -0.505 0.000 2.097 158 K HA 0.054 4.373 4.320 -0.001 0.000 0.206 158 K C 1.780 178.288 176.600 -0.153 0.000 1.049 158 K CA 1.721 57.792 56.287 -0.359 0.000 0.933 158 K CB -0.801 31.591 32.500 -0.179 0.000 0.717 158 K HN 0.402 nan 8.250 nan 0.000 0.442 159 A N 0.641 123.375 122.820 -0.144 0.000 1.865 159 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 159 A C 2.169 179.756 177.584 0.006 0.000 1.191 159 A CA 2.069 54.074 52.037 -0.053 0.000 0.623 159 A CB -0.832 18.127 19.000 -0.069 0.000 0.826 159 A HN 0.475 nan 8.150 nan 0.000 0.444 160 E N -0.588 119.609 120.200 -0.004 0.000 2.058 160 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 160 E C 1.616 178.370 176.600 0.256 0.000 0.997 160 E CA 1.504 57.963 56.400 0.097 0.000 0.801 160 E CB -0.452 29.302 29.700 0.090 0.000 0.746 160 E HN 0.510 nan 8.360 nan 0.000 0.450 161 F N 0.380 120.315 119.950 -0.024 0.000 2.134 161 F HA -0.091 4.436 4.527 -0.001 0.000 0.299 161 F C 2.281 178.081 175.800 -0.001 0.000 1.097 161 F CA 0.750 58.743 58.000 -0.012 0.000 1.264 161 F CB -0.850 38.144 39.000 -0.010 0.000 1.001 161 F HN 0.104 nan 8.300 nan 0.000 0.479 162 I N -0.211 120.479 120.570 0.200 0.000 2.226 162 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 162 I C 2.563 178.728 176.117 0.080 0.000 1.100 162 I CA 1.349 62.717 61.300 0.113 0.000 1.374 162 I CB -0.458 37.589 38.000 0.078 0.000 1.057 162 I HN 0.082 nan 8.210 nan 0.000 0.413 163 K N 1.069 121.515 120.400 0.077 0.000 2.002 163 K HA -0.262 4.057 4.320 -0.001 0.000 0.209 163 K C 2.199 178.828 176.600 0.047 0.000 1.048 163 K CA 1.626 57.945 56.287 0.053 0.000 0.930 163 K CB -0.206 32.323 32.500 0.048 0.000 0.714 163 K HN 0.130 nan 8.250 nan 0.000 0.438 164 E N 0.269 120.504 120.200 0.058 0.000 2.219 164 E HA -0.186 4.163 4.350 -0.001 0.000 0.198 164 E C 1.134 177.741 176.600 0.012 0.000 0.998 164 E CA 1.411 57.828 56.400 0.029 0.000 0.818 164 E CB 0.030 29.738 29.700 0.015 0.000 0.741 164 E HN 0.451 nan 8.360 nan 0.000 0.477 165 A N -0.274 122.560 122.820 0.023 0.000 2.348 165 A HA 0.198 4.517 4.320 -0.001 0.000 0.224 165 A C 2.111 179.705 177.584 0.018 0.000 1.227 165 A CA 0.886 52.931 52.037 0.012 0.000 0.885 165 A CB -0.220 18.790 19.000 0.016 0.000 0.933 165 A HN 0.329 nan 8.150 nan 0.000 0.506 166 Q N 1.331 121.145 119.800 0.024 0.000 2.156 166 Q HA -0.221 4.118 4.340 -0.001 0.000 0.211 166 Q C 0.431 176.439 176.000 0.014 0.000 0.995 166 Q CA 2.215 58.030 55.803 0.021 0.000 0.877 166 Q CB -2.735 26.017 28.738 0.022 0.000 0.920 166 Q HN 0.717 nan 8.270 nan 0.000 0.416 167 P HA 0.003 nan 4.420 nan 0.000 0.219 167 P C 0.888 178.190 177.300 0.004 0.000 1.146 167 P CA 1.986 65.090 63.100 0.005 0.000 0.808 167 P CB -0.043 31.658 31.700 0.002 0.000 0.779 168 G N -1.223 107.579 108.800 0.003 0.000 2.731 168 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.219 168 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.219 168 G C -0.014 174.885 174.900 -0.002 0.000 0.989 168 G CA -0.602 44.499 45.100 0.002 0.000 0.871 168 G HN 0.271 nan 8.290 nan 0.000 0.591 169 K N 0.204 120.602 120.400 -0.004 0.000 2.118 169 K HA 0.409 4.728 4.320 -0.001 0.000 0.240 169 K C 0.310 176.905 176.600 -0.007 0.000 1.035 169 K CA -0.521 55.760 56.287 -0.011 0.000 0.899 169 K CB 0.983 33.472 32.500 -0.020 0.000 1.085 169 K HN 0.087 nan 8.250 nan 0.000 0.498 170 K N 2.275 122.667 120.400 -0.013 0.000 2.292 170 K HA -0.030 4.289 4.320 -0.001 0.000 0.290 170 K C -0.254 176.341 176.600 -0.008 0.000 1.083 170 K CA -0.030 56.253 56.287 -0.007 0.000 0.918 170 K CB 0.495 32.987 32.500 -0.013 0.000 1.089 170 K HN 0.373 nan 8.250 nan 0.000 0.473 171 Q N 4.146 123.953 119.800 0.011 0.000 2.310 171 Q HA -0.051 4.288 4.340 -0.001 0.000 0.315 171 Q C -0.552 175.454 176.000 0.009 0.000 1.081 171 Q CA 0.084 55.900 55.803 0.022 0.000 0.981 171 Q CB 0.535 29.311 28.738 0.063 0.000 1.184 171 Q HN 0.608 nan 8.270 nan 0.000 0.389 172 L N 4.369 125.552 121.223 -0.067 0.000 2.461 172 L HA 0.091 4.430 4.340 -0.001 0.000 0.272 172 L C 0.065 176.984 176.870 0.082 0.000 1.197 172 L CA -0.119 54.625 54.840 -0.160 0.000 0.836 172 L CB 0.214 41.847 42.059 -0.710 0.000 1.105 172 L HN 0.581 nan 8.230 nan 0.000 0.477 173 L N 3.495 124.788 121.223 0.116 0.000 2.375 173 L HA 0.411 4.750 4.340 -0.001 0.000 0.271 173 L C -0.456 176.577 176.870 0.273 0.000 1.107 173 L CA -0.520 54.441 54.840 0.202 0.000 0.806 173 L CB 1.411 43.594 42.059 0.207 0.000 1.146 173 L HN 0.378 nan 8.230 nan 0.000 0.447 174 L N 2.655 123.971 121.223 0.154 0.000 2.376 174 L HA 0.555 4.894 4.340 -0.001 0.000 0.275 174 L C -0.219 176.523 176.870 -0.214 0.000 0.987 174 L CA 0.187 55.051 54.840 0.041 0.000 0.828 174 L CB 1.694 43.712 42.059 -0.068 0.000 1.249 174 L HN 0.737 nan 8.230 nan 0.000 0.409 175 S N 3.442 118.959 115.700 -0.306 0.000 2.745 175 S HA 1.045 5.514 4.470 -0.001 0.000 0.306 175 S C -0.734 173.748 174.600 -0.197 0.000 1.137 175 S CA -0.286 57.582 58.200 -0.553 0.000 0.900 175 S CB 1.909 64.341 63.200 -1.279 0.000 1.176 175 S HN 1.242 nan 8.310 nan 0.000 0.520 176 A N -0.099 122.654 122.820 -0.112 0.000 2.517 176 A HA 0.832 5.152 4.320 -0.001 0.000 0.297 176 A C -0.609 177.064 177.584 0.148 0.000 1.050 176 A CA -0.425 51.653 52.037 0.068 0.000 0.694 176 A CB 1.103 20.132 19.000 0.049 0.000 1.277 176 A HN 1.763 nan 8.150 nan 0.000 0.400 177 A N 2.549 125.510 122.820 0.235 0.000 2.252 177 A HA 0.688 5.007 4.320 -0.001 0.000 0.309 177 A C -0.427 177.253 177.584 0.160 0.000 1.285 177 A CA -0.174 52.014 52.037 0.251 0.000 0.900 177 A CB -0.168 19.025 19.000 0.322 0.000 1.157 177 A HN 0.824 nan 8.150 nan 0.000 0.536 178 L N 1.844 123.119 121.223 0.086 0.000 2.330 178 L HA 0.504 4.843 4.340 -0.001 0.000 0.271 178 L C 0.907 177.871 176.870 0.157 0.000 1.013 178 L CA -0.756 54.094 54.840 0.017 0.000 0.816 178 L CB 1.951 43.821 42.059 -0.316 0.000 1.287 178 L HN 0.704 nan 8.230 nan 0.000 0.435 179 S N 0.726 116.637 115.700 0.351 0.000 2.568 179 S HA 0.273 4.743 4.470 -0.001 0.000 0.282 179 S C 0.766 175.434 174.600 0.113 0.000 1.338 179 S CA 0.196 58.500 58.200 0.173 0.000 1.045 179 S CB 1.202 64.320 63.200 -0.135 0.000 0.873 179 S HN 0.717 nan 8.310 nan 0.000 0.516 180 A N 3.609 126.426 122.820 -0.005 0.000 2.348 180 A HA 0.456 4.775 4.320 -0.001 0.000 0.224 180 A C 0.980 178.716 177.584 0.253 0.000 1.227 180 A CA 0.195 52.294 52.037 0.103 0.000 0.885 180 A CB -0.440 18.550 19.000 -0.017 0.000 0.933 180 A HN 0.953 nan 8.150 nan 0.000 0.506 181 G N -0.171 108.703 108.800 0.123 0.000 2.355 181 G HA2 0.332 4.292 3.960 -0.001 0.000 0.276 181 G HA3 0.332 4.292 3.960 -0.001 0.000 0.276 181 G C 0.656 175.616 174.900 0.100 0.000 1.198 181 G CA -0.152 45.041 45.100 0.155 0.000 0.876 181 G HN 0.366 nan 8.290 nan 0.000 0.478 182 K N 2.175 122.640 120.400 0.109 0.000 2.044 182 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 182 K C 2.385 178.944 176.600 -0.069 0.000 1.049 182 K CA 1.656 57.927 56.287 -0.026 0.000 0.927 182 K CB -0.131 32.134 32.500 -0.391 0.000 0.713 182 K HN 0.357 nan 8.250 nan 0.000 0.443 183 V N 0.870 120.732 119.914 -0.087 0.000 2.287 183 V HA -0.276 3.843 4.120 -0.001 0.000 0.248 183 V C 2.241 178.243 176.094 -0.154 0.000 1.053 183 V CA 2.421 64.658 62.300 -0.105 0.000 1.027 183 V CB -0.745 31.031 31.823 -0.078 0.000 0.646 183 V HN 0.500 nan 8.190 nan 0.000 0.447 184 T N 0.139 114.567 114.554 -0.211 0.000 2.746 184 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 184 T C 1.835 176.269 174.700 -0.443 0.000 1.039 184 T CA 1.701 63.572 62.100 -0.382 0.000 1.142 184 T CB -0.283 68.245 68.868 -0.567 0.000 0.866 184 T HN 0.331 nan 8.240 nan 0.000 0.444 185 I N 1.388 121.825 120.570 -0.222 0.000 2.163 185 I HA -0.195 3.974 4.170 -0.001 0.000 0.243 185 I C 2.307 178.376 176.117 -0.080 0.000 1.085 185 I CA 1.279 62.537 61.300 -0.070 0.000 1.347 185 I CB -0.371 37.760 38.000 0.219 0.000 1.044 185 I HN 0.148 nan 8.210 nan 0.000 0.408 186 D N 0.299 120.681 120.400 -0.029 0.000 2.144 186 D HA -0.134 4.506 4.640 -0.001 0.000 0.199 186 D C 2.335 178.576 176.300 -0.098 0.000 0.984 186 D CA 1.837 55.825 54.000 -0.020 0.000 0.834 186 D CB -0.085 40.715 40.800 0.000 0.000 0.955 186 D HN 0.386 nan 8.370 nan 0.000 0.465 187 S N -1.063 114.533 115.700 -0.174 0.000 2.486 187 S HA 0.087 4.557 4.470 -0.001 0.000 0.220 187 S C 1.908 176.347 174.600 -0.268 0.000 1.011 187 S CA 0.272 58.359 58.200 -0.188 0.000 0.921 187 S CB 0.392 63.486 63.200 -0.177 0.000 0.785 187 S HN -0.016 nan 8.310 nan 0.000 0.517 188 S N -0.040 115.388 115.700 -0.453 0.000 2.499 188 S HA 0.382 4.852 4.470 -0.001 0.000 0.225 188 S C -0.527 173.813 174.600 -0.433 0.000 1.050 188 S CA -0.194 57.633 58.200 -0.622 0.000 0.928 188 S CB -0.088 62.474 63.200 -1.063 0.000 0.803 188 S HN 0.588 nan 8.310 nan 0.000 0.506 189 Y N 1.524 121.762 120.300 -0.103 0.000 2.446 189 Y HA 0.588 5.137 4.550 -0.001 0.000 0.338 189 Y C -0.129 175.773 175.900 0.003 0.000 1.055 189 Y CA -2.350 55.750 58.100 -0.001 0.000 1.101 189 Y CB 0.490 38.967 38.460 0.028 0.000 1.221 189 Y HN -0.089 nan 8.280 nan 0.000 0.460 190 D N 3.190 123.718 120.400 0.212 0.000 2.590 190 D HA 0.188 4.827 4.640 -0.001 0.000 0.280 190 D C 1.045 177.389 176.300 0.073 0.000 1.197 190 D CA -0.030 54.026 54.000 0.093 0.000 0.967 190 D CB 0.245 41.084 40.800 0.064 0.000 0.987 190 D HN 0.431 nan 8.370 nan 0.000 0.508 191 I N 1.634 122.241 120.570 0.060 0.000 2.113 191 I HA -0.351 3.818 4.170 -0.001 0.000 0.242 191 I C 2.379 178.482 176.117 -0.022 0.000 1.057 191 I CA 1.347 62.652 61.300 0.007 0.000 1.314 191 I CB -1.436 36.544 38.000 -0.033 0.000 1.022 191 I HN 0.316 nan 8.210 nan 0.000 0.408 192 A N 0.271 123.073 122.820 -0.030 0.000 1.883 192 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 192 A C 2.363 179.922 177.584 -0.042 0.000 1.186 192 A CA 2.221 54.233 52.037 -0.040 0.000 0.624 192 A CB -0.526 18.451 19.000 -0.038 0.000 0.822 192 A HN 0.273 nan 8.150 nan 0.000 0.444 193 K N 0.130 120.519 120.400 -0.018 0.000 2.001 193 K HA -0.050 4.270 4.320 -0.001 0.000 0.208 193 K C 1.848 178.449 176.600 0.002 0.000 1.048 193 K CA 1.643 57.927 56.287 -0.005 0.000 0.932 193 K CB -0.559 31.960 32.500 0.032 0.000 0.715 193 K HN 0.718 nan 8.250 nan 0.000 0.437 194 I N -2.132 118.444 120.570 0.009 0.000 2.493 194 I HA -0.127 4.042 4.170 -0.001 0.000 0.254 194 I C 1.512 177.601 176.117 -0.048 0.000 1.160 194 I CA 1.228 62.525 61.300 -0.006 0.000 1.445 194 I CB -0.282 37.664 38.000 -0.089 0.000 1.086 194 I HN -0.117 nan 8.210 nan 0.000 0.433 195 S N 1.090 116.753 115.700 -0.063 0.000 2.419 195 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 195 S C 1.947 176.487 174.600 -0.101 0.000 1.016 195 S CA 1.536 59.697 58.200 -0.066 0.000 0.974 195 S CB -0.306 62.861 63.200 -0.054 0.000 0.786 195 S HN 0.627 nan 8.310 nan 0.000 0.492 196 Q N -0.061 119.625 119.800 -0.189 0.000 2.119 196 Q HA -0.077 4.262 4.340 -0.001 0.000 0.201 196 Q C 1.705 177.506 176.000 -0.331 0.000 0.972 196 Q CA 1.085 56.707 55.803 -0.301 0.000 0.847 196 Q CB -0.169 28.287 28.738 -0.471 0.000 0.903 196 Q HN 0.656 nan 8.270 nan 0.000 0.433 197 H N -0.401 118.629 119.070 -0.066 0.000 2.525 197 H HA 0.148 4.703 4.556 -0.001 0.000 0.275 197 H C 0.564 175.836 175.328 -0.094 0.000 0.984 197 H CA 0.340 56.339 56.048 -0.083 0.000 1.264 197 H CB 0.262 29.955 29.762 -0.115 0.000 1.432 197 H HN 0.139 nan 8.280 nan 0.000 0.549 198 L N 1.586 122.804 121.223 -0.007 0.000 2.371 198 L HA 0.049 4.388 4.340 -0.001 0.000 0.272 198 L C 1.230 178.087 176.870 -0.022 0.000 1.124 198 L CA -0.267 54.540 54.840 -0.055 0.000 0.816 198 L CB 1.065 43.071 42.059 -0.088 0.000 1.129 198 L HN 0.013 nan 8.230 nan 0.000 0.448 199 D N 1.924 122.303 120.400 -0.035 0.000 2.234 199 D HA 0.025 4.664 4.640 -0.001 0.000 0.205 199 D C -0.248 176.176 176.300 0.207 0.000 0.962 199 D CA 1.252 55.298 54.000 0.077 0.000 0.855 199 D CB 0.387 41.259 40.800 0.120 0.000 0.951 199 D HN 0.350 nan 8.370 nan 0.000 0.500 200 F N -1.162 118.802 119.950 0.022 0.000 2.746 200 F HA 0.436 4.962 4.527 -0.002 0.000 0.311 200 F C -2.031 173.782 175.800 0.021 0.000 1.135 200 F CA -1.340 56.666 58.000 0.010 0.000 0.954 200 F CB 0.568 39.559 39.000 -0.015 0.000 1.276 200 F HN -0.373 nan 8.300 nan 0.000 0.440 201 I N 2.394 123.144 120.570 0.300 0.000 2.433 201 I HA 0.447 4.616 4.170 -0.001 0.000 0.292 201 I C -0.509 175.778 176.117 0.283 0.000 1.001 201 I CA -0.832 60.581 61.300 0.190 0.000 1.119 201 I CB 2.153 40.198 38.000 0.076 0.000 1.289 201 I HN 0.655 nan 8.210 nan 0.000 0.438 202 S N 6.872 122.747 115.700 0.291 0.000 2.420 202 S HA 0.450 4.919 4.470 -0.001 0.000 0.313 202 S C -0.265 174.451 174.600 0.193 0.000 1.079 202 S CA -0.423 57.957 58.200 0.301 0.000 1.104 202 S CB 0.750 64.213 63.200 0.438 0.000 0.969 202 S HN 0.448 nan 8.310 nan 0.000 0.471 203 I N 4.418 125.075 120.570 0.143 0.000 2.325 203 I HA 0.284 4.453 4.170 -0.001 0.000 0.291 203 I C -0.038 176.084 176.117 0.009 0.000 1.019 203 I CA -0.761 60.586 61.300 0.078 0.000 1.302 203 I CB 0.614 38.666 38.000 0.086 0.000 1.401 203 I HN 0.619 nan 8.210 nan 0.000 0.485 204 M N 7.392 126.916 119.600 -0.127 0.000 3.436 204 M HA 0.094 4.573 4.480 -0.001 0.000 0.240 204 M C 0.453 176.257 176.300 -0.825 0.000 1.469 204 M CA -0.140 54.826 55.300 -0.556 0.000 1.622 204 M CB -0.824 31.440 32.600 -0.560 0.000 1.098 204 M HN 0.563 nan 8.290 nan 0.000 0.568 205 T N 0.253 114.539 114.554 -0.446 0.000 4.475 205 T HA 0.276 4.625 4.350 -0.001 0.000 0.254 205 T C -0.495 174.060 174.700 -0.242 0.000 1.160 205 T CA -0.206 61.749 62.100 -0.241 0.000 1.091 205 T CB -1.164 67.788 68.868 0.140 0.000 1.377 205 T HN 0.569 nan 8.240 nan 0.000 1.057 206 Y N -2.780 117.236 120.300 -0.475 0.000 2.914 206 Y HA 0.521 5.070 4.550 -0.001 0.000 0.327 206 Y C -0.315 175.420 175.900 -0.276 0.000 1.440 206 Y CA -1.821 56.120 58.100 -0.266 0.000 1.086 206 Y CB -0.113 38.324 38.460 -0.038 0.000 1.544 206 Y HN 0.117 nan 8.280 nan 0.000 0.442 207 D N -0.343 120.392 120.400 0.558 0.000 2.837 207 D HA -0.197 4.442 4.640 -0.001 0.000 0.230 207 D C 0.238 176.643 176.300 0.176 0.000 1.152 207 D CA 1.150 55.344 54.000 0.324 0.000 0.736 207 D CB -1.135 39.774 40.800 0.182 0.000 1.084 207 D HN 0.531 nan 8.370 nan 0.000 0.429 208 F N -0.537 119.602 119.950 0.314 0.000 2.615 208 F HA 0.096 4.622 4.527 -0.001 0.000 0.297 208 F C 1.360 177.321 175.800 0.268 0.000 1.124 208 F CA 0.610 58.755 58.000 0.241 0.000 1.451 208 F CB 0.168 39.284 39.000 0.194 0.000 1.103 208 F HN 0.109 nan 8.300 nan 0.000 0.569 209 H N -1.506 117.783 119.070 0.365 0.000 2.895 209 H HA 0.638 5.193 4.556 -0.001 0.000 0.373 209 H C -0.235 175.217 175.328 0.206 0.000 1.174 209 H CA -0.538 55.631 56.048 0.201 0.000 1.144 209 H CB 1.725 31.607 29.762 0.201 0.000 1.793 209 H HN 0.027 nan 8.280 nan 0.000 0.551 210 G N 0.262 108.996 108.800 -0.110 0.000 2.684 210 G HA2 0.464 4.423 3.960 -0.001 0.000 0.290 210 G HA3 0.464 4.423 3.960 -0.001 0.000 0.290 210 G C 0.206 175.121 174.900 0.025 0.000 1.425 210 G CA -0.264 44.888 45.100 0.086 0.000 0.822 210 G HN 0.799 nan 8.290 nan 0.000 0.482 211 A N 0.288 123.277 122.820 0.282 0.000 1.997 211 A HA -0.088 4.232 4.320 -0.001 0.000 0.221 211 A C 1.969 179.593 177.584 0.068 0.000 1.172 211 A CA 2.263 54.461 52.037 0.267 0.000 0.645 211 A CB -0.995 18.144 19.000 0.232 0.000 0.813 211 A HN 1.188 nan 8.150 nan 0.000 0.454 212 W N 0.453 121.779 121.300 0.044 0.000 2.392 212 W HA -0.166 4.493 4.660 -0.001 0.000 0.279 212 W C 1.451 177.939 176.519 -0.051 0.000 1.225 212 W CA 0.931 58.274 57.345 -0.003 0.000 1.233 212 W CB -0.654 28.804 29.460 -0.004 0.000 1.122 212 W HN 0.318 nan 8.180 nan 0.000 0.561 213 R N 1.071 120.995 120.500 -0.961 0.000 2.237 213 R HA 0.046 4.385 4.340 -0.001 0.000 0.219 213 R C 2.113 178.169 176.300 -0.406 0.000 1.080 213 R CA 1.125 56.627 56.100 -0.995 0.000 0.995 213 R CB -0.795 28.647 30.300 -1.430 0.000 0.875 213 R HN 0.404 nan 8.270 nan 0.000 0.462 214 G N 1.235 109.870 108.800 -0.275 0.000 2.179 214 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.260 214 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.260 214 G C 0.290 175.042 174.900 -0.246 0.000 0.977 214 G CA 0.756 45.749 45.100 -0.179 0.000 0.641 214 G HN 0.526 nan 8.290 nan 0.000 0.533 215 T N -2.330 112.013 114.554 -0.351 0.000 2.864 215 T HA 0.717 5.066 4.350 -0.001 0.000 0.299 215 T C 0.051 174.291 174.700 -0.767 0.000 1.166 215 T CA 0.392 62.230 62.100 -0.437 0.000 1.007 215 T CB 1.712 70.389 68.868 -0.318 0.000 1.219 215 T HN 1.284 nan 8.240 nan 0.000 0.506 216 T N -1.014 112.921 114.554 -1.031 0.000 2.918 216 T HA 0.632 4.981 4.350 -0.001 0.000 0.302 216 T C 0.488 174.394 174.700 -1.323 0.000 1.045 216 T CA -0.207 60.862 62.100 -1.718 0.000 1.114 216 T CB 0.513 68.043 68.868 -2.230 0.000 0.965 216 T HN 1.445 nan 8.240 nan 0.000 0.540 217 G N 0.755 108.807 108.800 -1.247 0.000 2.733 217 G HA2 0.370 4.329 3.960 -0.001 0.000 0.297 217 G HA3 0.370 4.329 3.960 -0.001 0.000 0.297 217 G C -1.503 173.355 174.900 -0.070 0.000 1.452 217 G CA -0.840 43.652 45.100 -1.013 0.000 0.940 217 G HN 0.973 nan 8.290 nan 0.000 0.547 218 H N 0.683 119.812 119.070 0.099 0.000 2.722 218 H HA 0.128 4.683 4.556 -0.001 0.000 0.328 218 H C 1.409 176.914 175.328 0.295 0.000 1.067 218 H CA 0.486 56.720 56.048 0.309 0.000 1.447 218 H CB 1.161 31.039 29.762 0.194 0.000 1.469 218 H HN 0.834 nan 8.280 nan 0.000 0.544 219 H N 1.408 120.614 119.070 0.226 0.000 2.551 219 H HA 0.123 4.678 4.556 -0.001 0.000 0.266 219 H C 0.234 175.836 175.328 0.457 0.000 0.977 219 H CA 0.440 56.691 56.048 0.339 0.000 1.163 219 H CB 0.579 30.459 29.762 0.196 0.000 1.381 219 H HN 0.244 nan 8.280 nan 0.000 0.581 220 S N 1.688 117.462 115.700 0.123 0.000 2.539 220 S HA 0.241 4.710 4.470 -0.001 0.000 0.185 220 S C -2.905 171.774 174.600 0.133 0.000 1.181 220 S CA -1.196 57.087 58.200 0.138 0.000 1.216 220 S CB 0.161 63.205 63.200 -0.260 0.000 1.476 220 S HN 0.268 nan 8.310 nan 0.000 0.395 221 P HA 0.169 nan 4.420 nan 0.000 0.275 221 P C 0.847 178.027 177.300 -0.200 0.000 1.228 221 P CA -0.564 62.433 63.100 -0.171 0.000 0.786 221 P CB 1.118 32.750 31.700 -0.113 0.000 0.927 222 L N 2.474 123.517 121.223 -0.300 0.000 2.068 222 L HA 0.202 4.541 4.340 -0.001 0.000 0.204 222 L C 0.422 176.840 176.870 -0.754 0.000 1.076 222 L CA 1.764 56.265 54.840 -0.566 0.000 0.753 222 L CB -0.656 41.017 42.059 -0.643 0.000 0.910 222 L HN 0.234 nan 8.230 nan 0.000 0.439 223 F N -1.926 117.909 119.950 -0.192 0.000 2.618 223 F HA 0.426 4.952 4.527 -0.001 0.000 0.332 223 F C 1.600 177.324 175.800 -0.128 0.000 1.061 223 F CA -0.745 57.168 58.000 -0.145 0.000 0.974 223 F CB 0.799 39.738 39.000 -0.102 0.000 1.310 223 F HN -0.292 nan 8.300 nan 0.000 0.491 224 R N 0.831 121.397 120.500 0.110 0.000 2.081 224 R HA 0.149 4.488 4.340 -0.001 0.000 0.235 224 R C 0.899 177.196 176.300 -0.005 0.000 1.131 224 R CA 1.441 57.538 56.100 -0.005 0.000 0.960 224 R CB -0.554 29.729 30.300 -0.029 0.000 0.856 224 R HN 1.026 nan 8.270 nan 0.000 0.436 225 G N 0.088 108.902 108.800 0.024 0.000 2.593 225 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.237 225 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.237 225 G C -0.941 173.943 174.900 -0.027 0.000 1.312 225 G CA 0.120 45.219 45.100 -0.002 0.000 0.896 225 G HN 0.567 nan 8.290 nan 0.000 0.574 226 Q N 0.470 120.254 119.800 -0.026 0.000 2.557 226 Q HA 0.009 4.348 4.340 -0.001 0.000 0.316 226 Q C 1.640 177.612 176.000 -0.047 0.000 1.130 226 Q CA 1.127 56.910 55.803 -0.033 0.000 1.065 226 Q CB 0.154 28.875 28.738 -0.027 0.000 1.014 226 Q HN 0.643 nan 8.270 nan 0.000 0.397 227 E N 3.422 123.593 120.200 -0.050 0.000 2.273 227 E HA -0.290 4.059 4.350 -0.001 0.000 0.198 227 E C 0.110 176.670 176.600 -0.067 0.000 1.002 227 E CA 1.605 57.968 56.400 -0.062 0.000 0.828 227 E CB 0.372 30.038 29.700 -0.056 0.000 0.747 227 E HN 0.713 nan 8.360 nan 0.000 0.491 228 D N -0.683 119.683 120.400 -0.057 0.000 2.271 228 D HA 0.055 4.694 4.640 -0.001 0.000 0.206 228 D C 1.200 177.461 176.300 -0.066 0.000 0.967 228 D CA 1.011 54.977 54.000 -0.058 0.000 0.867 228 D CB 0.090 40.861 40.800 -0.048 0.000 0.960 228 D HN 0.221 nan 8.370 nan 0.000 0.509 229 A N -0.420 122.361 122.820 -0.065 0.000 2.302 229 A HA 0.279 4.598 4.320 -0.001 0.000 0.219 229 A C 0.604 178.132 177.584 -0.092 0.000 1.243 229 A CA 0.068 52.059 52.037 -0.077 0.000 0.856 229 A CB 0.228 19.189 19.000 -0.064 0.000 0.893 229 A HN -0.020 nan 8.150 nan 0.000 0.491 230 S N -0.433 115.213 115.700 -0.090 0.000 2.521 230 S HA 0.497 4.966 4.470 -0.001 0.000 0.295 230 S C -1.954 172.588 174.600 -0.097 0.000 1.098 230 S CA -0.757 57.387 58.200 -0.093 0.000 0.999 230 S CB 1.797 64.938 63.200 -0.099 0.000 1.034 230 S HN 0.147 nan 8.310 nan 0.000 0.483 231 P HA 0.047 nan 4.420 nan 0.000 0.214 231 P C -0.040 177.188 177.300 -0.120 0.000 1.162 231 P CA 0.730 63.781 63.100 -0.082 0.000 0.874 231 P CB 0.160 31.823 31.700 -0.061 0.000 0.784 232 D N -1.523 118.798 120.400 -0.132 0.000 2.294 232 D HA 0.164 4.803 4.640 -0.001 0.000 0.250 232 D C 1.031 177.094 176.300 -0.395 0.000 1.058 232 D CA -0.282 53.574 54.000 -0.240 0.000 0.950 232 D CB 1.366 42.086 40.800 -0.133 0.000 1.158 232 D HN -0.161 nan 8.370 nan 0.000 0.453 233 R N 1.108 121.152 120.500 -0.760 0.000 2.156 233 R HA 0.062 4.401 4.340 -0.001 0.000 0.207 233 R C 1.584 177.364 176.300 -0.867 0.000 1.040 233 R CA 0.677 56.271 56.100 -0.843 0.000 1.013 233 R CB 0.122 29.733 30.300 -1.147 0.000 0.931 233 R HN 0.369 nan 8.270 nan 0.000 0.465 234 F N 0.363 119.978 119.950 -0.559 0.000 2.664 234 F HA 0.180 4.706 4.527 -0.001 0.000 0.296 234 F C 1.079 176.647 175.800 -0.385 0.000 1.125 234 F CA -0.069 57.473 58.000 -0.763 0.000 1.444 234 F CB -0.055 38.486 39.000 -0.765 0.000 1.114 234 F HN -0.283 nan 8.300 nan 0.000 0.576 235 S N 1.878 117.440 115.700 -0.229 0.000 3.864 235 S HA 0.139 4.608 4.470 -0.001 0.000 0.202 235 S C -0.193 173.806 174.600 -1.002 0.000 1.402 235 S CA -0.290 57.650 58.200 -0.433 0.000 1.072 235 S CB -1.718 61.458 63.200 -0.040 0.000 1.383 235 S HN 0.590 nan 8.310 nan 0.000 0.458 236 N N -2.484 115.477 118.700 -1.231 0.000 2.591 236 N HA 0.297 5.036 4.740 -0.001 0.000 0.263 236 N C 0.423 175.580 175.510 -0.589 0.000 1.308 236 N CA -0.875 51.624 53.050 -0.918 0.000 0.837 236 N CB 0.241 38.514 38.487 -0.356 0.000 1.548 236 N HN -0.190 nan 8.380 nan 0.000 0.493 237 T N -0.534 113.891 114.554 -0.214 0.000 2.635 237 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 237 T C 1.021 175.653 174.700 -0.114 0.000 1.040 237 T CA 2.173 64.268 62.100 -0.008 0.000 1.156 237 T CB -0.678 68.117 68.868 -0.121 0.000 0.863 237 T HN 0.815 nan 8.240 nan 0.000 0.430 238 D N -0.104 120.096 120.400 -0.334 0.000 2.116 238 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 238 D C 1.891 178.236 176.300 0.076 0.000 0.998 238 D CA 1.360 55.237 54.000 -0.205 0.000 0.836 238 D CB -0.409 40.260 40.800 -0.218 0.000 0.951 238 D HN 0.506 nan 8.370 nan 0.000 0.449 239 Y N 0.566 120.871 120.300 0.008 0.000 2.145 239 Y HA -0.141 4.408 4.550 -0.001 0.000 0.286 239 Y C 2.251 178.243 175.900 0.154 0.000 1.145 239 Y CA 2.103 60.257 58.100 0.088 0.000 1.148 239 Y CB -0.715 37.780 38.460 0.059 0.000 0.981 239 Y HN 0.072 nan 8.280 nan 0.000 0.507 240 A N -0.630 122.293 122.820 0.171 0.000 1.902 240 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 240 A C 2.343 180.003 177.584 0.127 0.000 1.181 240 A CA 2.095 54.259 52.037 0.212 0.000 0.623 240 A CB -1.346 17.876 19.000 0.371 0.000 0.818 240 A HN 0.342 nan 8.150 nan 0.000 0.443 241 V N -0.081 119.910 119.914 0.129 0.000 2.261 241 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 241 V C 2.867 179.005 176.094 0.073 0.000 1.047 241 V CA 2.065 64.444 62.300 0.131 0.000 1.015 241 V CB -1.554 30.411 31.823 0.235 0.000 0.642 241 V HN 0.608 nan 8.190 nan 0.000 0.446 242 G N -1.627 107.208 108.800 0.058 0.000 2.440 242 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.218 242 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.218 242 G C 1.579 176.462 174.900 -0.028 0.000 1.154 242 G CA 1.249 46.358 45.100 0.014 0.000 0.767 242 G HN 0.518 nan 8.290 nan 0.000 0.552 243 Y N 0.483 120.602 120.300 -0.302 0.000 2.145 243 Y HA 0.040 4.589 4.550 -0.001 0.000 0.286 243 Y C 2.806 178.636 175.900 -0.116 0.000 1.145 243 Y CA 1.699 59.622 58.100 -0.294 0.000 1.148 243 Y CB -0.255 37.930 38.460 -0.459 0.000 0.981 243 Y HN 0.196 nan 8.280 nan 0.000 0.507 244 M N -1.043 118.503 119.600 -0.090 0.000 2.229 244 M HA -0.164 4.315 4.480 -0.001 0.000 0.264 244 M C 1.905 178.133 176.300 -0.119 0.000 1.063 244 M CA 1.347 56.566 55.300 -0.134 0.000 1.114 244 M CB -0.156 32.437 32.600 -0.011 0.000 1.387 244 M HN 0.313 nan 8.290 nan 0.000 0.420 245 L N -0.670 120.513 121.223 -0.068 0.000 2.141 245 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 245 L C 2.588 179.413 176.870 -0.074 0.000 1.094 245 L CA 1.119 55.929 54.840 -0.050 0.000 0.763 245 L CB -0.673 41.374 42.059 -0.020 0.000 0.908 245 L HN 0.356 nan 8.230 nan 0.000 0.437 246 R N 0.778 121.213 120.500 -0.108 0.000 2.148 246 R HA -0.092 4.247 4.340 -0.001 0.000 0.223 246 R C 1.898 178.103 176.300 -0.160 0.000 1.088 246 R CA 0.930 56.964 56.100 -0.109 0.000 0.985 246 R CB -0.044 30.205 30.300 -0.085 0.000 0.880 246 R HN 0.364 nan 8.270 nan 0.000 0.451 247 L N -0.184 120.893 121.223 -0.243 0.000 2.599 247 L HA 0.191 4.530 4.340 -0.001 0.000 0.230 247 L C 1.110 177.907 176.870 -0.122 0.000 1.141 247 L CA 0.684 55.391 54.840 -0.222 0.000 0.877 247 L CB 0.437 42.310 42.059 -0.310 0.000 1.009 247 L HN 0.638 nan 8.230 nan 0.000 0.447 248 G N -0.504 108.239 108.800 -0.095 0.000 2.201 248 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.212 248 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.212 248 G C 0.405 175.274 174.900 -0.053 0.000 0.994 248 G CA -0.187 44.874 45.100 -0.064 0.000 0.644 248 G HN 0.402 nan 8.290 nan 0.000 0.508 249 A N 1.450 124.237 122.820 -0.054 0.000 2.484 249 A HA 0.609 4.928 4.320 -0.001 0.000 0.268 249 A C -1.632 175.939 177.584 -0.020 0.000 1.114 249 A CA -0.492 51.525 52.037 -0.034 0.000 0.780 249 A CB -0.039 18.945 19.000 -0.026 0.000 1.061 249 A HN 0.173 nan 8.150 nan 0.000 0.505 250 P HA 0.170 nan 4.420 nan 0.000 0.267 250 P C 0.911 178.216 177.300 0.009 0.000 1.205 250 P CA 0.496 63.592 63.100 -0.006 0.000 0.765 250 P CB 1.046 32.743 31.700 -0.006 0.000 0.828 251 A N 3.382 126.206 122.820 0.007 0.000 1.978 251 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 251 A C 2.044 179.647 177.584 0.032 0.000 1.170 251 A CA 2.255 54.303 52.037 0.017 0.000 0.636 251 A CB -1.554 17.451 19.000 0.009 0.000 0.810 251 A HN 0.597 nan 8.150 nan 0.000 0.448 252 S N -1.063 114.653 115.700 0.025 0.000 2.507 252 S HA -0.013 4.456 4.470 -0.001 0.000 0.235 252 S C 1.366 175.994 174.600 0.048 0.000 0.988 252 S CA 1.310 59.527 58.200 0.030 0.000 0.944 252 S CB -0.122 63.087 63.200 0.016 0.000 0.762 252 S HN 0.616 nan 8.310 nan 0.000 0.526 253 K N -0.205 120.229 120.400 0.057 0.000 2.374 253 K HA 0.355 4.675 4.320 -0.001 0.000 0.202 253 K C -0.657 176.013 176.600 0.117 0.000 1.040 253 K CA -0.258 56.086 56.287 0.095 0.000 1.085 253 K CB 0.433 32.977 32.500 0.073 0.000 0.873 253 K HN 0.259 nan 8.250 nan 0.000 0.539 254 L N 1.789 123.062 121.223 0.084 0.000 2.264 254 L HA 0.277 4.617 4.340 -0.001 0.000 0.289 254 L C -0.916 176.008 176.870 0.089 0.000 1.044 254 L CA -0.515 54.380 54.840 0.091 0.000 0.807 254 L CB 1.418 43.516 42.059 0.065 0.000 1.192 254 L HN -0.265 nan 8.230 nan 0.000 0.425 255 V N 6.208 126.190 119.914 0.113 0.000 2.417 255 V HA 0.412 4.531 4.120 -0.001 0.000 0.291 255 V C 0.200 176.367 176.094 0.122 0.000 1.024 255 V CA -0.574 61.776 62.300 0.083 0.000 0.861 255 V CB 1.525 33.372 31.823 0.041 0.000 0.985 255 V HN 0.821 nan 8.190 nan 0.000 0.436 256 M N 3.889 123.555 119.600 0.111 0.000 2.108 256 M HA 0.520 4.999 4.480 -0.001 0.000 0.354 256 M C 0.682 177.080 176.300 0.164 0.000 1.229 256 M CA -0.189 55.191 55.300 0.133 0.000 1.081 256 M CB 0.660 33.339 32.600 0.132 0.000 1.606 256 M HN 0.853 nan 8.290 nan 0.000 0.467 257 G N 6.199 115.115 108.800 0.193 0.000 2.378 257 G HA2 0.491 4.451 3.960 -0.001 0.000 0.255 257 G HA3 0.491 4.451 3.960 -0.001 0.000 0.255 257 G C -0.730 174.367 174.900 0.329 0.000 1.270 257 G CA -0.467 44.819 45.100 0.309 0.000 0.876 257 G HN 0.798 nan 8.290 nan 0.000 0.521 258 I N 4.333 125.104 120.570 0.335 0.000 2.499 258 I HA 0.309 4.478 4.170 -0.001 0.000 0.288 258 I C -2.226 173.999 176.117 0.181 0.000 1.048 258 I CA -2.265 59.166 61.300 0.218 0.000 1.062 258 I CB 3.305 41.377 38.000 0.119 0.000 1.238 258 I HN 0.337 nan 8.210 nan 0.000 0.426 259 P HA 0.183 nan 4.420 nan 0.000 0.284 259 P C 0.139 177.400 177.300 -0.066 0.000 1.253 259 P CA -0.274 62.721 63.100 -0.175 0.000 0.800 259 P CB 1.431 32.731 31.700 -0.666 0.000 0.961 260 T N -0.725 113.891 114.554 0.102 0.000 3.176 260 T HA 0.388 4.737 4.350 -0.001 0.000 0.263 260 T C 0.197 175.039 174.700 0.237 0.000 1.021 260 T CA -0.387 61.783 62.100 0.118 0.000 0.905 260 T CB -1.033 67.923 68.868 0.147 0.000 1.057 260 T HN 0.386 nan 8.240 nan 0.000 0.558 261 F N -0.954 119.060 119.950 0.107 0.000 2.603 261 F HA 0.922 5.448 4.527 -0.001 0.000 0.317 261 F C -0.092 175.788 175.800 0.132 0.000 1.066 261 F CA -1.797 56.245 58.000 0.069 0.000 0.941 261 F CB 0.997 39.999 39.000 0.003 0.000 1.291 261 F HN 0.075 nan 8.300 nan 0.000 0.472 262 G N 0.778 109.648 108.800 0.118 0.000 2.511 262 G HA2 0.642 4.601 3.960 -0.001 0.000 0.318 262 G HA3 0.642 4.601 3.960 -0.001 0.000 0.318 262 G C -1.426 173.402 174.900 -0.120 0.000 1.210 262 G CA -1.248 43.867 45.100 0.025 0.000 0.969 262 G HN 0.571 nan 8.290 nan 0.000 0.484 263 R N 0.379 120.727 120.500 -0.253 0.000 2.343 263 R HA 0.508 4.847 4.340 -0.001 0.000 0.320 263 R C -0.051 176.004 176.300 -0.408 0.000 0.956 263 R CA -0.479 55.411 56.100 -0.350 0.000 0.836 263 R CB 1.388 31.454 30.300 -0.389 0.000 1.151 263 R HN 0.711 nan 8.270 nan 0.000 0.450 264 S N 2.212 117.612 115.700 -0.501 0.000 2.638 264 S HA 0.817 5.286 4.470 -0.001 0.000 0.298 264 S C -0.469 173.707 174.600 -0.707 0.000 1.111 264 S CA -0.572 57.363 58.200 -0.440 0.000 1.027 264 S CB 1.342 64.396 63.200 -0.243 0.000 1.064 264 S HN 0.335 nan 8.310 nan 0.000 0.525 265 F N -0.676 119.354 119.950 0.132 0.000 2.613 265 F HA 0.514 5.040 4.527 -0.001 0.000 0.314 265 F C 0.173 176.025 175.800 0.086 0.000 1.075 265 F CA -0.826 57.213 58.000 0.065 0.000 0.945 265 F CB 2.112 41.095 39.000 -0.027 0.000 1.310 265 F HN 0.484 nan 8.300 nan 0.000 0.467 266 T N 3.449 118.149 114.554 0.243 0.000 2.743 266 T HA 0.520 4.869 4.350 -0.001 0.000 0.292 266 T C -0.066 174.714 174.700 0.133 0.000 0.972 266 T CA -0.518 61.684 62.100 0.171 0.000 0.967 266 T CB 0.254 69.192 68.868 0.116 0.000 0.926 266 T HN 0.295 nan 8.240 nan 0.000 0.459 267 L N 2.258 123.562 121.223 0.136 0.000 2.461 267 L HA 0.359 4.698 4.340 -0.001 0.000 0.272 267 L C 1.356 178.251 176.870 0.043 0.000 1.197 267 L CA -0.415 54.465 54.840 0.066 0.000 0.836 267 L CB 0.381 42.506 42.059 0.109 0.000 1.105 267 L HN 0.742 nan 8.230 nan 0.000 0.477 268 A N 1.384 124.206 122.820 0.003 0.000 2.390 268 A HA 0.311 4.630 4.320 -0.001 0.000 0.232 268 A C 0.679 178.266 177.584 0.006 0.000 1.233 268 A CA 0.570 52.610 52.037 0.005 0.000 0.907 268 A CB 0.057 19.048 19.000 -0.015 0.000 0.967 268 A HN 0.773 nan 8.150 nan 0.000 0.512 269 S N -2.027 113.679 115.700 0.009 0.000 2.800 269 S HA 0.347 4.816 4.470 -0.001 0.000 0.293 269 S C 0.820 175.439 174.600 0.031 0.000 1.209 269 S CA 0.477 58.685 58.200 0.013 0.000 0.884 269 S CB 0.350 63.547 63.200 -0.005 0.000 1.244 269 S HN 0.698 nan 8.310 nan 0.000 0.540 270 S N -0.447 115.271 115.700 0.030 0.000 2.522 270 S HA 0.135 4.604 4.470 -0.001 0.000 0.227 270 S C 0.243 174.875 174.600 0.053 0.000 0.986 270 S CA 0.084 58.312 58.200 0.047 0.000 0.929 270 S CB -0.792 62.431 63.200 0.039 0.000 0.769 270 S HN 0.694 nan 8.310 nan 0.000 0.529 271 E N 2.020 122.236 120.200 0.028 0.000 2.324 271 E HA 0.195 4.544 4.350 -0.001 0.000 0.271 271 E C 0.535 177.162 176.600 0.045 0.000 1.028 271 E CA 0.449 56.860 56.400 0.018 0.000 0.890 271 E CB 0.746 30.429 29.700 -0.029 0.000 1.004 271 E HN 0.566 nan 8.360 nan 0.000 0.431 272 T N -0.613 114.004 114.554 0.105 0.000 3.091 272 T HA 0.259 4.608 4.350 -0.001 0.000 0.277 272 T C 0.709 175.593 174.700 0.308 0.000 0.996 272 T CA -0.323 61.930 62.100 0.256 0.000 0.897 272 T CB 0.557 69.636 68.868 0.352 0.000 1.109 272 T HN 0.368 nan 8.240 nan 0.000 0.534 273 G N 1.136 109.992 108.800 0.092 0.000 2.543 273 G HA2 0.529 4.488 3.960 -0.001 0.000 0.290 273 G HA3 0.529 4.488 3.960 -0.001 0.000 0.290 273 G C -0.415 174.400 174.900 -0.143 0.000 1.310 273 G CA -0.651 44.474 45.100 0.042 0.000 1.025 273 G HN 0.307 nan 8.290 nan 0.000 0.502 274 V N 0.639 120.475 119.914 -0.131 0.000 2.599 274 V HA 0.408 4.527 4.120 -0.001 0.000 0.300 274 V C 1.539 177.463 176.094 -0.283 0.000 1.034 274 V CA 1.707 63.874 62.300 -0.222 0.000 1.115 274 V CB 0.377 32.151 31.823 -0.082 0.000 0.934 274 V HN 1.808 nan 8.190 nan 0.000 0.485 275 G N 3.574 112.116 108.800 -0.429 0.000 2.157 275 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.248 275 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.248 275 G C 0.368 175.073 174.900 -0.325 0.000 0.979 275 G CA 0.137 45.033 45.100 -0.340 0.000 0.650 275 G HN 1.475 nan 8.290 nan 0.000 0.529 276 A N 0.417 122.995 122.820 -0.403 0.000 2.386 276 A HA 0.696 5.015 4.320 -0.001 0.000 0.248 276 A C -1.562 175.830 177.584 -0.320 0.000 1.082 276 A CA -0.740 51.110 52.037 -0.311 0.000 0.789 276 A CB 0.285 19.107 19.000 -0.297 0.000 1.025 276 A HN 0.179 nan 8.150 nan 0.000 0.490 277 P HA 0.330 nan 4.420 nan 0.000 0.268 277 P C -0.576 176.619 177.300 -0.174 0.000 1.205 277 P CA 0.327 63.325 63.100 -0.170 0.000 0.771 277 P CB 0.382 32.021 31.700 -0.102 0.000 0.858 278 I N -1.449 119.026 120.570 -0.159 0.000 2.934 278 I HA 0.555 4.724 4.170 -0.001 0.000 0.306 278 I C 0.503 176.600 176.117 -0.035 0.000 1.110 278 I CA -0.815 60.424 61.300 -0.102 0.000 1.019 278 I CB 2.553 40.467 38.000 -0.143 0.000 1.227 278 I HN 0.187 nan 8.210 nan 0.000 0.434 279 S N 1.383 117.091 115.700 0.014 0.000 2.523 279 S HA 0.716 5.185 4.470 -0.001 0.000 0.217 279 S C 0.632 175.262 174.600 0.050 0.000 0.996 279 S CA 0.171 58.387 58.200 0.027 0.000 0.921 279 S CB 0.080 63.300 63.200 0.034 0.000 0.829 279 S HN 1.580 nan 8.310 nan 0.000 0.495 280 G N 1.478 110.326 108.800 0.079 0.000 2.352 280 G HA2 0.318 4.277 3.960 -0.001 0.000 0.283 280 G HA3 0.318 4.277 3.960 -0.001 0.000 0.283 280 G C -3.486 171.502 174.900 0.147 0.000 1.308 280 G CA -0.602 44.560 45.100 0.103 0.000 0.892 280 G HN 0.109 nan 8.290 nan 0.000 0.504 281 P HA 0.396 nan 4.420 nan 0.000 0.272 281 P C 0.769 178.089 177.300 0.034 0.000 1.240 281 P CA 0.616 63.745 63.100 0.049 0.000 0.791 281 P CB 0.575 32.279 31.700 0.007 0.000 0.978 282 G N 0.621 109.400 108.800 -0.035 0.000 2.634 282 G HA2 0.321 4.280 3.960 -0.001 0.000 0.255 282 G HA3 0.321 4.280 3.960 -0.001 0.000 0.255 282 G C 0.134 175.031 174.900 -0.006 0.000 1.205 282 G CA -0.852 44.243 45.100 -0.007 0.000 0.884 282 G HN 0.442 nan 8.290 nan 0.000 0.549 283 I N 1.691 122.271 120.570 0.017 0.000 2.618 283 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 283 I C -1.638 174.476 176.117 -0.004 0.000 1.146 283 I CA -1.131 60.182 61.300 0.022 0.000 1.425 283 I CB 0.986 39.017 38.000 0.052 0.000 1.383 283 I HN 0.229 nan 8.210 nan 0.000 0.562 284 P HA -0.008 nan 4.420 nan 0.000 0.265 284 P C 0.090 177.388 177.300 -0.003 0.000 1.187 284 P CA -0.060 63.036 63.100 -0.007 0.000 0.766 284 P CB 0.404 32.107 31.700 0.005 0.000 0.820 285 G N 1.358 110.154 108.800 -0.007 0.000 2.569 285 G HA2 0.343 4.302 3.960 -0.001 0.000 0.249 285 G HA3 0.343 4.302 3.960 -0.001 0.000 0.249 285 G C 1.313 176.228 174.900 0.025 0.000 1.216 285 G CA -0.127 44.981 45.100 0.013 0.000 0.845 285 G HN 0.518 nan 8.290 nan 0.000 0.568 286 R N 0.251 120.760 120.500 0.015 0.000 2.096 286 R HA 0.003 4.342 4.340 -0.001 0.000 0.235 286 R C 1.988 178.130 176.300 -0.263 0.000 1.127 286 R CA 2.273 58.274 56.100 -0.166 0.000 0.968 286 R CB -1.019 29.095 30.300 -0.311 0.000 0.861 286 R HN 0.633 nan 8.270 nan 0.000 0.440 287 F N 0.303 120.326 119.950 0.121 0.000 2.437 287 F HA 0.051 4.577 4.527 -0.001 0.000 0.288 287 F C 2.867 178.746 175.800 0.131 0.000 1.085 287 F CA 1.327 59.426 58.000 0.165 0.000 1.430 287 F CB -0.085 39.091 39.000 0.292 0.000 1.120 287 F HN 0.271 nan 8.300 nan 0.000 0.556 288 T N -2.409 112.295 114.554 0.251 0.000 3.014 288 T HA -0.021 4.328 4.350 -0.001 0.000 0.263 288 T C 0.871 175.636 174.700 0.109 0.000 1.078 288 T CA 0.155 62.348 62.100 0.154 0.000 1.135 288 T CB -0.521 68.380 68.868 0.055 0.000 0.895 288 T HN 0.153 nan 8.240 nan 0.000 0.480 289 K N 1.564 122.010 120.400 0.076 0.000 3.278 289 K HA -0.189 4.130 4.320 -0.001 0.000 0.270 289 K C -0.290 176.331 176.600 0.034 0.000 0.955 289 K CA 0.691 57.006 56.287 0.047 0.000 0.723 289 K CB -1.385 31.149 32.500 0.057 0.000 1.382 289 K HN 0.750 nan 8.250 nan 0.000 0.461 290 E N 0.250 120.459 120.200 0.014 0.000 2.343 290 E HA 0.421 4.770 4.350 -0.001 0.000 0.260 290 E C -0.739 175.847 176.600 -0.022 0.000 0.908 290 E CA -0.392 56.007 56.400 -0.002 0.000 0.814 290 E CB 1.237 30.932 29.700 -0.009 0.000 1.302 290 E HN 0.343 nan 8.360 nan 0.000 0.408 291 A N 2.645 125.455 122.820 -0.015 0.000 2.567 291 A HA 0.393 4.713 4.320 -0.001 0.000 0.240 291 A C 1.298 178.850 177.584 -0.053 0.000 1.053 291 A CA 1.227 53.249 52.037 -0.024 0.000 0.755 291 A CB -0.340 18.659 19.000 -0.003 0.000 0.978 291 A HN 1.224 nan 8.150 nan 0.000 0.507 292 G N 1.840 110.585 108.800 -0.092 0.000 2.175 292 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.244 292 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.244 292 G C 0.291 175.088 174.900 -0.173 0.000 0.982 292 G CA 0.495 45.498 45.100 -0.162 0.000 0.641 292 G HN 1.424 nan 8.290 nan 0.000 0.527 293 T N 0.491 114.973 114.554 -0.120 0.000 2.893 293 T HA 0.729 5.078 4.350 -0.001 0.000 0.293 293 T C -0.566 174.083 174.700 -0.086 0.000 1.027 293 T CA -0.437 61.610 62.100 -0.087 0.000 0.988 293 T CB 2.282 71.096 68.868 -0.089 0.000 1.043 293 T HN 0.449 nan 8.240 nan 0.000 0.461 294 L N 1.788 122.972 121.223 -0.066 0.000 2.493 294 L HA 0.711 5.050 4.340 -0.001 0.000 0.265 294 L C 0.052 176.862 176.870 -0.101 0.000 0.954 294 L CA -1.210 53.556 54.840 -0.124 0.000 0.844 294 L CB 1.884 43.822 42.059 -0.203 0.000 1.302 294 L HN 0.793 nan 8.230 nan 0.000 0.405 295 A N 1.270 123.937 122.820 -0.255 0.000 2.332 295 A HA 0.177 4.496 4.320 -0.001 0.000 0.258 295 A C 0.412 177.807 177.584 -0.314 0.000 1.087 295 A CA 0.098 51.935 52.037 -0.334 0.000 0.802 295 A CB 0.168 18.657 19.000 -0.852 0.000 1.042 295 A HN 0.760 nan 8.150 nan 0.000 0.489 296 Y N 1.145 121.301 120.300 -0.239 0.000 2.207 296 Y HA -0.320 4.230 4.550 -0.001 0.000 0.287 296 Y C 2.037 177.826 175.900 -0.185 0.000 1.156 296 Y CA 2.774 60.786 58.100 -0.147 0.000 1.182 296 Y CB -0.694 37.765 38.460 -0.002 0.000 0.979 296 Y HN 0.818 nan 8.280 nan 0.000 0.521 297 Y N -1.175 118.945 120.300 -0.300 0.000 2.293 297 Y HA -0.041 4.508 4.550 -0.001 0.000 0.291 297 Y C 1.880 177.508 175.900 -0.454 0.000 1.137 297 Y CA 1.217 58.993 58.100 -0.540 0.000 1.202 297 Y CB -1.194 36.679 38.460 -0.979 0.000 0.990 297 Y HN 0.140 nan 8.280 nan 0.000 0.537 298 E N 0.831 120.705 120.200 -0.544 0.000 2.152 298 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 298 E C 2.088 178.606 176.600 -0.137 0.000 0.983 298 E CA 1.141 57.419 56.400 -0.204 0.000 0.818 298 E CB -0.154 29.409 29.700 -0.229 0.000 0.758 298 E HN 0.563 nan 8.360 nan 0.000 0.467 299 I N 0.698 121.096 120.570 -0.287 0.000 2.252 299 I HA -0.290 3.879 4.170 -0.001 0.000 0.245 299 I C 2.285 178.260 176.117 -0.235 0.000 1.102 299 I CA 0.568 61.687 61.300 -0.301 0.000 1.385 299 I CB -0.246 37.443 38.000 -0.517 0.000 1.064 299 I HN 0.237 nan 8.210 nan 0.000 0.414 300 c N 0.598 118.983 118.600 -0.359 0.000 2.411 300 c HA -0.179 4.390 4.570 -0.001 0.000 0.279 300 c C 2.404 176.470 174.090 -0.041 0.000 1.288 300 c CA 0.839 57.025 56.329 -0.239 0.000 1.764 300 c CB -1.035 41.318 42.510 -0.261 0.000 1.974 300 c HN 0.521 nan 8.230 nan 0.000 0.498 301 D N -0.248 120.183 120.400 0.052 0.000 2.103 301 D HA -0.081 4.559 4.640 -0.001 0.000 0.199 301 D C 1.770 178.124 176.300 0.091 0.000 0.978 301 D CA 0.886 54.955 54.000 0.115 0.000 0.829 301 D CB -0.540 40.391 40.800 0.218 0.000 0.981 301 D HN 0.457 nan 8.370 nan 0.000 0.464 302 F N 1.585 121.505 119.950 -0.049 0.000 2.120 302 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 302 F C 2.070 177.833 175.800 -0.061 0.000 1.095 302 F CA 1.138 59.106 58.000 -0.053 0.000 1.249 302 F CB -0.277 38.670 39.000 -0.089 0.000 0.995 302 F HN -0.084 nan 8.300 nan 0.000 0.480 303 L N 0.190 121.409 121.223 -0.007 0.000 2.261 303 L HA -0.173 4.166 4.340 -0.001 0.000 0.216 303 L C 0.922 177.711 176.870 -0.135 0.000 1.114 303 L CA 0.764 55.552 54.840 -0.087 0.000 0.777 303 L CB -0.715 41.319 42.059 -0.041 0.000 0.910 303 L HN -0.032 nan 8.230 nan 0.000 0.440 304 R N 0.766 121.199 120.500 -0.112 0.000 2.402 304 R HA 0.154 4.493 4.340 -0.001 0.000 0.331 304 R C 1.060 177.276 176.300 -0.139 0.000 1.040 304 R CA 0.675 56.718 56.100 -0.095 0.000 0.980 304 R CB -0.127 30.140 30.300 -0.056 0.000 0.967 304 R HN 0.343 nan 8.270 nan 0.000 0.440 305 G N 1.301 110.028 108.800 -0.122 0.000 2.157 305 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.248 305 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.248 305 G C 0.110 174.909 174.900 -0.168 0.000 0.979 305 G CA -0.008 45.018 45.100 -0.124 0.000 0.650 305 G HN 0.805 nan 8.290 nan 0.000 0.529 306 A N -0.629 122.063 122.820 -0.213 0.000 2.269 306 A HA 0.901 5.220 4.320 -0.001 0.000 0.327 306 A C 0.283 177.784 177.584 -0.138 0.000 1.112 306 A CA 0.414 52.308 52.037 -0.237 0.000 0.865 306 A CB 1.134 19.887 19.000 -0.412 0.000 1.227 306 A HN 0.686 nan 8.150 nan 0.000 0.498 307 T N 0.872 115.363 114.554 -0.105 0.000 2.771 307 T HA 0.512 4.861 4.350 -0.001 0.000 0.281 307 T C -0.573 173.972 174.700 -0.259 0.000 0.982 307 T CA -0.222 61.776 62.100 -0.169 0.000 0.978 307 T CB 1.051 69.854 68.868 -0.108 0.000 0.930 307 T HN 0.412 nan 8.240 nan 0.000 0.447 308 V N 5.076 124.775 119.914 -0.358 0.000 2.435 308 V HA 0.401 4.520 4.120 -0.001 0.000 0.290 308 V C -0.338 175.372 176.094 -0.639 0.000 1.030 308 V CA -0.801 61.289 62.300 -0.351 0.000 0.881 308 V CB 1.141 32.890 31.823 -0.124 0.000 0.983 308 V HN 0.833 nan 8.190 nan 0.000 0.445 309 H N 4.369 123.123 119.070 -0.527 0.000 2.538 309 H HA 0.511 5.066 4.556 -0.001 0.000 0.353 309 H C -0.496 174.567 175.328 -0.442 0.000 1.109 309 H CA -0.853 54.866 56.048 -0.548 0.000 1.192 309 H CB 2.095 31.335 29.762 -0.870 0.000 1.555 309 H HN 0.407 nan 8.280 nan 0.000 0.518 310 R N 2.963 123.401 120.500 -0.103 0.000 2.202 310 R HA 0.281 4.620 4.340 -0.001 0.000 0.334 310 R C 0.148 176.450 176.300 0.004 0.000 1.036 310 R CA -0.569 55.490 56.100 -0.068 0.000 0.878 310 R CB 0.641 30.914 30.300 -0.045 0.000 1.067 310 R HN 0.541 nan 8.270 nan 0.000 0.457 311 I N 5.367 125.957 120.570 0.033 0.000 2.406 311 I HA 0.036 4.205 4.170 -0.001 0.000 0.293 311 I C 0.856 176.993 176.117 0.034 0.000 1.101 311 I CA -0.090 61.266 61.300 0.093 0.000 1.334 311 I CB 0.252 38.327 38.000 0.125 0.000 1.421 311 I HN 0.283 nan 8.210 nan 0.000 0.513 312 L N 6.552 127.797 121.223 0.036 0.000 2.490 312 L HA 0.142 4.481 4.340 -0.001 0.000 0.274 312 L C 1.467 178.343 176.870 0.010 0.000 1.201 312 L CA 0.764 55.614 54.840 0.015 0.000 0.869 312 L CB 0.389 42.455 42.059 0.011 0.000 1.123 312 L HN 0.989 nan 8.230 nan 0.000 0.484 313 G N 1.737 110.539 108.800 0.002 0.000 2.454 313 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.225 313 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.225 313 G C 0.883 175.823 174.900 0.066 0.000 1.138 313 G CA 0.355 45.455 45.100 -0.001 0.000 0.667 313 G HN 0.622 nan 8.290 nan 0.000 0.512 314 Q N -0.209 119.615 119.800 0.041 0.000 2.402 314 Q HA 0.166 4.505 4.340 -0.001 0.000 0.206 314 Q C 1.023 177.013 176.000 -0.017 0.000 0.919 314 Q CA 0.721 56.534 55.803 0.016 0.000 0.923 314 Q CB 0.268 28.970 28.738 -0.061 0.000 1.048 314 Q HN 0.634 nan 8.270 nan 0.000 0.515 315 Q N -0.707 119.091 119.800 -0.003 0.000 2.489 315 Q HA -0.142 4.198 4.340 -0.001 0.000 0.259 315 Q C -0.443 175.483 176.000 -0.123 0.000 0.934 315 Q CA 1.085 56.875 55.803 -0.022 0.000 1.131 315 Q CB -2.495 26.277 28.738 0.056 0.000 1.472 315 Q HN 0.338 nan 8.270 nan 0.000 0.560 316 V N -3.724 116.064 119.914 -0.209 0.000 3.040 316 V HA 0.923 5.042 4.120 -0.001 0.000 0.312 316 V C -2.643 173.304 176.094 -0.246 0.000 1.115 316 V CA -2.221 59.882 62.300 -0.328 0.000 0.998 316 V CB 2.695 34.063 31.823 -0.758 0.000 1.042 316 V HN -0.099 nan 8.190 nan 0.000 0.433 317 P HA 0.578 nan 4.420 nan 0.000 0.289 317 P C -2.060 175.115 177.300 -0.207 0.000 1.293 317 P CA -0.401 62.534 63.100 -0.276 0.000 0.897 317 P CB 1.826 33.285 31.700 -0.402 0.000 1.166 318 Y N -1.244 118.942 120.300 -0.190 0.000 2.553 318 Y HA 0.846 5.395 4.550 -0.001 0.000 0.347 318 Y C -1.575 174.254 175.900 -0.119 0.000 1.019 318 Y CA -1.647 56.269 58.100 -0.306 0.000 1.032 318 Y CB 1.073 39.019 38.460 -0.857 0.000 1.284 318 Y HN 0.579 nan 8.280 nan 0.000 0.466 319 A N 1.663 124.575 122.820 0.153 0.000 2.401 319 A HA 0.804 5.123 4.320 -0.001 0.000 0.310 319 A C -0.929 176.822 177.584 0.279 0.000 1.075 319 A CA -0.619 51.546 52.037 0.215 0.000 0.746 319 A CB 1.793 21.034 19.000 0.402 0.000 1.277 319 A HN 0.962 nan 8.150 nan 0.000 0.425 320 T N 0.520 115.247 114.554 0.287 0.000 2.933 320 T HA 0.667 5.016 4.350 -0.001 0.000 0.305 320 T C -1.325 173.505 174.700 0.216 0.000 1.092 320 T CA -0.526 61.798 62.100 0.374 0.000 1.008 320 T CB 1.004 70.123 68.868 0.419 0.000 1.102 320 T HN 0.802 nan 8.240 nan 0.000 0.469 321 K N 2.733 123.269 120.400 0.227 0.000 2.571 321 K HA 0.530 4.849 4.320 -0.001 0.000 0.252 321 K C 0.459 177.133 176.600 0.124 0.000 0.956 321 K CA 0.197 56.487 56.287 0.005 0.000 0.822 321 K CB 1.017 33.270 32.500 -0.411 0.000 1.286 321 K HN 1.087 nan 8.250 nan 0.000 0.439 322 G N 3.367 112.226 108.800 0.099 0.000 2.582 322 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.288 322 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.288 322 G C 0.080 175.082 174.900 0.170 0.000 1.247 322 G CA 0.585 45.755 45.100 0.115 0.000 0.972 322 G HN 0.908 nan 8.290 nan 0.000 0.557 323 N N 1.184 119.983 118.700 0.165 0.000 2.362 323 N HA 0.146 4.885 4.740 -0.001 0.000 0.211 323 N C 0.251 175.903 175.510 0.236 0.000 1.170 323 N CA 0.662 53.817 53.050 0.175 0.000 0.828 323 N CB 0.399 38.961 38.487 0.126 0.000 1.034 323 N HN 0.592 nan 8.380 nan 0.000 0.475 324 Q N -0.088 119.907 119.800 0.325 0.000 2.345 324 Q HA 0.381 4.720 4.340 -0.001 0.000 0.268 324 Q C -1.516 174.821 176.000 0.562 0.000 1.054 324 Q CA -0.341 55.703 55.803 0.403 0.000 0.835 324 Q CB 2.176 31.194 28.738 0.466 0.000 1.339 324 Q HN 0.465 nan 8.270 nan 0.000 0.447 325 W N 1.897 123.342 121.300 0.243 0.000 3.259 325 W HA 0.567 5.226 4.660 -0.001 0.000 0.331 325 W C -1.743 174.886 176.519 0.184 0.000 1.144 325 W CA -0.675 56.844 57.345 0.291 0.000 1.227 325 W CB 1.289 30.914 29.460 0.275 0.000 1.371 325 W HN 0.368 nan 8.180 nan 0.000 0.491 326 V N 5.841 125.883 119.914 0.213 0.000 2.733 326 V HA 0.848 4.967 4.120 -0.001 0.000 0.306 326 V C -0.481 175.667 176.094 0.090 0.000 1.084 326 V CA -0.356 62.025 62.300 0.135 0.000 0.905 326 V CB 1.624 33.338 31.823 -0.181 0.000 1.010 326 V HN 0.732 nan 8.190 nan 0.000 0.424 327 G N 5.756 114.669 108.800 0.187 0.000 2.332 327 G HA2 0.669 4.629 3.960 -0.001 0.000 0.310 327 G HA3 0.669 4.629 3.960 -0.001 0.000 0.310 327 G C -1.192 173.666 174.900 -0.071 0.000 1.123 327 G CA -0.080 44.984 45.100 -0.060 0.000 0.873 327 G HN 1.318 nan 8.290 nan 0.000 0.460 328 Y N -0.733 119.506 120.300 -0.100 0.000 2.900 328 Y HA 0.701 5.250 4.550 -0.001 0.000 0.318 328 Y C -1.317 174.713 175.900 0.218 0.000 1.457 328 Y CA -1.785 56.346 58.100 0.051 0.000 1.082 328 Y CB 0.963 39.477 38.460 0.091 0.000 1.419 328 Y HN 0.324 nan 8.280 nan 0.000 0.459 329 D N 1.053 121.545 120.400 0.153 0.000 2.362 329 D HA 0.351 4.991 4.640 -0.001 0.000 0.247 329 D C -1.411 174.928 176.300 0.066 0.000 1.050 329 D CA -0.084 53.921 54.000 0.008 0.000 0.839 329 D CB 2.109 42.897 40.800 -0.020 0.000 1.283 329 D HN 0.709 nan 8.370 nan 0.000 0.477 330 D N 0.110 120.511 120.400 0.001 0.000 2.687 330 D HA 0.147 4.786 4.640 -0.001 0.000 0.264 330 D C 0.902 177.187 176.300 -0.024 0.000 1.091 330 D CA -0.460 53.568 54.000 0.046 0.000 1.123 330 D CB 0.555 41.514 40.800 0.264 0.000 1.407 330 D HN 0.012 nan 8.370 nan 0.000 0.591 331 Q N -0.343 119.465 119.800 0.014 0.000 2.096 331 Q HA -0.221 4.119 4.340 -0.001 0.000 0.208 331 Q C 1.757 177.762 176.000 0.008 0.000 0.993 331 Q CA 2.295 58.105 55.803 0.012 0.000 0.862 331 Q CB -0.106 28.662 28.738 0.051 0.000 0.915 331 Q HN 0.681 nan 8.270 nan 0.000 0.416 332 E N -0.474 119.736 120.200 0.016 0.000 2.077 332 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 332 E C 1.971 178.562 176.600 -0.014 0.000 0.989 332 E CA 1.427 57.829 56.400 0.004 0.000 0.800 332 E CB 0.025 29.728 29.700 0.004 0.000 0.746 332 E HN 0.449 nan 8.360 nan 0.000 0.452 333 S N 0.228 115.907 115.700 -0.035 0.000 2.387 333 S HA -0.128 4.341 4.470 -0.001 0.000 0.226 333 S C 2.259 176.832 174.600 -0.046 0.000 1.026 333 S CA 1.213 59.379 58.200 -0.057 0.000 0.972 333 S CB -0.712 62.427 63.200 -0.101 0.000 0.814 333 S HN 0.276 nan 8.310 nan 0.000 0.477 334 V N 0.486 120.376 119.914 -0.039 0.000 2.490 334 V HA -0.042 4.077 4.120 -0.001 0.000 0.250 334 V C 2.503 178.587 176.094 -0.015 0.000 1.061 334 V CA 1.952 64.235 62.300 -0.028 0.000 1.064 334 V CB -1.153 30.653 31.823 -0.029 0.000 0.670 334 V HN 0.483 nan 8.190 nan 0.000 0.461 335 K N 0.921 121.316 120.400 -0.009 0.000 2.026 335 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 335 K C 2.375 178.980 176.600 0.008 0.000 1.048 335 K CA 1.892 58.178 56.287 -0.001 0.000 0.929 335 K CB -0.304 32.200 32.500 0.006 0.000 0.713 335 K HN 0.571 nan 8.250 nan 0.000 0.439 336 S N 1.017 116.723 115.700 0.011 0.000 2.368 336 S HA -0.123 4.346 4.470 -0.001 0.000 0.225 336 S C 1.688 176.313 174.600 0.042 0.000 1.030 336 S CA 1.384 59.605 58.200 0.035 0.000 0.999 336 S CB -0.158 63.060 63.200 0.031 0.000 0.844 336 S HN 0.334 nan 8.310 nan 0.000 0.459 337 K N 0.691 121.089 120.400 -0.003 0.000 2.097 337 K HA -0.029 4.290 4.320 -0.001 0.000 0.206 337 K C 2.042 178.677 176.600 0.057 0.000 1.049 337 K CA 1.104 57.389 56.287 -0.004 0.000 0.933 337 K CB -0.370 32.106 32.500 -0.040 0.000 0.717 337 K HN 0.173 nan 8.250 nan 0.000 0.442 338 V N 1.296 121.217 119.914 0.012 0.000 2.358 338 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 338 V C 2.413 178.485 176.094 -0.037 0.000 1.047 338 V CA 1.737 64.015 62.300 -0.037 0.000 1.035 338 V CB -0.419 31.363 31.823 -0.068 0.000 0.658 338 V HN 0.300 nan 8.190 nan 0.000 0.452 339 Q N -0.375 119.431 119.800 0.011 0.000 2.096 339 Q HA -0.267 4.072 4.340 -0.001 0.000 0.204 339 Q C 2.029 178.065 176.000 0.059 0.000 0.982 339 Q CA 2.286 58.105 55.803 0.027 0.000 0.850 339 Q CB -0.659 28.115 28.738 0.061 0.000 0.901 339 Q HN 0.754 nan 8.270 nan 0.000 0.422 340 Y N 0.388 120.678 120.300 -0.016 0.000 2.145 340 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 340 Y C 1.760 177.648 175.900 -0.019 0.000 1.145 340 Y CA 1.859 59.958 58.100 -0.002 0.000 1.148 340 Y CB -0.361 38.062 38.460 -0.061 0.000 0.981 340 Y HN 0.298 nan 8.280 nan 0.000 0.507 341 L N -0.212 121.021 121.223 0.018 0.000 2.141 341 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 341 L C 1.925 178.715 176.870 -0.134 0.000 1.094 341 L CA 1.736 56.528 54.840 -0.079 0.000 0.763 341 L CB -0.999 41.063 42.059 0.004 0.000 0.908 341 L HN -0.050 nan 8.230 nan 0.000 0.437 342 K N 0.185 120.495 120.400 -0.150 0.000 2.057 342 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 342 K C 1.759 178.340 176.600 -0.030 0.000 1.050 342 K CA 1.456 57.684 56.287 -0.099 0.000 0.935 342 K CB -0.316 32.099 32.500 -0.141 0.000 0.715 342 K HN 0.373 nan 8.250 nan 0.000 0.439 343 D N 0.354 120.705 120.400 -0.082 0.000 2.218 343 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 343 D C 1.592 177.818 176.300 -0.124 0.000 0.976 343 D CA 0.887 54.839 54.000 -0.080 0.000 0.853 343 D CB 0.086 40.838 40.800 -0.080 0.000 0.939 343 D HN 0.041 nan 8.370 nan 0.000 0.481 344 R N 0.271 120.646 120.500 -0.208 0.000 2.317 344 R HA 0.110 4.449 4.340 -0.001 0.000 0.208 344 R C 0.215 176.473 176.300 -0.071 0.000 0.914 344 R CA -0.012 55.973 56.100 -0.192 0.000 1.060 344 R CB 0.100 30.199 30.300 -0.335 0.000 1.015 344 R HN 0.286 nan 8.270 nan 0.000 0.498 345 Q N 0.782 120.575 119.800 -0.011 0.000 2.463 345 Q HA -0.173 4.166 4.340 -0.001 0.000 0.299 345 Q C -0.618 175.425 176.000 0.071 0.000 1.353 345 Q CA 0.424 56.264 55.803 0.062 0.000 0.828 345 Q CB -1.648 27.107 28.738 0.029 0.000 1.157 345 Q HN 0.308 nan 8.270 nan 0.000 0.436 346 L N -1.180 120.088 121.223 0.075 0.000 2.456 346 L HA 0.377 4.716 4.340 -0.001 0.000 0.257 346 L C 1.643 178.600 176.870 0.145 0.000 1.162 346 L CA 0.357 55.243 54.840 0.076 0.000 0.808 346 L CB 0.296 42.384 42.059 0.048 0.000 1.136 346 L HN 0.303 nan 8.230 nan 0.000 0.466 347 A N 0.815 123.696 122.820 0.101 0.000 2.070 347 A HA 0.303 4.622 4.320 -0.001 0.000 0.220 347 A C 0.968 178.637 177.584 0.142 0.000 1.159 347 A CA 1.416 53.508 52.037 0.092 0.000 0.656 347 A CB -0.433 18.582 19.000 0.024 0.000 0.800 347 A HN 1.023 nan 8.150 nan 0.000 0.453 348 G N -2.891 105.975 108.800 0.110 0.000 2.332 348 G HA2 0.556 4.515 3.960 -0.001 0.000 0.265 348 G HA3 0.556 4.515 3.960 -0.001 0.000 0.265 348 G C -0.775 174.130 174.900 0.008 0.000 1.329 348 G CA -0.181 44.958 45.100 0.065 0.000 0.949 348 G HN 1.322 nan 8.290 nan 0.000 0.476 349 A N -0.435 122.384 122.820 -0.002 0.000 2.380 349 A HA 0.871 5.190 4.320 -0.001 0.000 0.315 349 A C -0.235 177.384 177.584 0.058 0.000 1.101 349 A CA -0.412 51.647 52.037 0.037 0.000 0.771 349 A CB 1.878 20.896 19.000 0.031 0.000 1.287 349 A HN 1.513 nan 8.150 nan 0.000 0.436 350 M N 2.291 121.976 119.600 0.142 0.000 2.456 350 M HA 0.632 5.111 4.480 -0.001 0.000 0.324 350 M C -2.031 174.447 176.300 0.296 0.000 1.124 350 M CA -0.563 54.874 55.300 0.229 0.000 0.959 350 M CB 1.552 34.356 32.600 0.340 0.000 1.692 350 M HN 0.402 nan 8.290 nan 0.000 0.444 351 V N 5.204 125.309 119.914 0.319 0.000 2.487 351 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 351 V C -1.296 175.045 176.094 0.411 0.000 1.028 351 V CA -0.598 61.885 62.300 0.304 0.000 0.860 351 V CB 2.048 33.976 31.823 0.176 0.000 0.991 351 V HN 0.864 nan 8.190 nan 0.000 0.427 352 W N 6.205 127.633 121.300 0.214 0.000 2.463 352 W HA 0.800 5.459 4.660 -0.001 0.000 0.316 352 W C -0.684 175.927 176.519 0.153 0.000 1.004 352 W CA -0.516 56.915 57.345 0.144 0.000 1.309 352 W CB 1.651 31.134 29.460 0.037 0.000 1.288 352 W HN 0.699 nan 8.180 nan 0.000 0.423 353 A N 4.882 127.602 122.820 -0.167 0.000 2.566 353 A HA 0.470 4.789 4.320 -0.001 0.000 0.292 353 A C 0.317 177.811 177.584 -0.149 0.000 1.112 353 A CA -0.656 51.106 52.037 -0.459 0.000 0.707 353 A CB 1.376 19.619 19.000 -1.262 0.000 1.302 353 A HN 0.587 nan 8.150 nan 0.000 0.409 354 L N -0.098 121.073 121.223 -0.086 0.000 2.043 354 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 354 L C 1.926 178.915 176.870 0.199 0.000 1.075 354 L CA 2.507 57.430 54.840 0.139 0.000 0.752 354 L CB -0.504 41.629 42.059 0.124 0.000 0.891 354 L HN 1.017 nan 8.230 nan 0.000 0.432 355 D N -0.947 119.417 120.400 -0.059 0.000 2.363 355 D HA -0.110 4.529 4.640 -0.001 0.000 0.226 355 D C 1.750 178.130 176.300 0.132 0.000 1.020 355 D CA 0.575 54.508 54.000 -0.112 0.000 0.892 355 D CB -0.076 40.474 40.800 -0.418 0.000 0.900 355 D HN 0.339 nan 8.370 nan 0.000 0.531 356 L N -0.700 120.589 121.223 0.110 0.000 2.638 356 L HA 0.210 4.549 4.340 -0.001 0.000 0.232 356 L C 0.912 177.929 176.870 0.246 0.000 1.099 356 L CA -0.301 54.625 54.840 0.142 0.000 0.883 356 L CB 0.085 42.184 42.059 0.065 0.000 1.136 356 L HN 0.044 nan 8.230 nan 0.000 0.492 357 D N 0.418 120.999 120.400 0.300 0.000 2.398 357 D HA -0.037 4.602 4.640 -0.001 0.000 0.247 357 D C -0.261 176.223 176.300 0.307 0.000 1.227 357 D CA -0.177 54.014 54.000 0.318 0.000 0.980 357 D CB 0.977 41.975 40.800 0.330 0.000 1.106 357 D HN -0.146 nan 8.370 nan 0.000 0.493 358 D N 0.727 121.253 120.400 0.210 0.000 2.551 358 D HA 0.005 4.644 4.640 -0.001 0.000 0.223 358 D C 0.993 177.060 176.300 -0.388 0.000 1.144 358 D CA -0.343 53.620 54.000 -0.062 0.000 1.025 358 D CB -0.988 39.840 40.800 0.048 0.000 1.085 358 D HN 0.351 nan 8.370 nan 0.000 0.506 359 F N 0.843 120.448 119.950 -0.574 0.000 2.293 359 F HA -0.073 4.454 4.527 -0.001 0.000 0.300 359 F C 1.729 177.154 175.800 -0.625 0.000 1.086 359 F CA 0.536 57.832 58.000 -1.173 0.000 1.375 359 F CB -0.369 38.108 39.000 -0.871 0.000 1.045 359 F HN 0.125 nan 8.300 nan 0.000 0.516 360 Q N 1.234 120.406 119.800 -1.047 0.000 2.172 360 Q HA 0.068 4.407 4.340 -0.001 0.000 0.200 360 Q C 2.134 177.965 176.000 -0.282 0.000 0.964 360 Q CA 1.299 56.765 55.803 -0.562 0.000 0.855 360 Q CB -0.723 27.663 28.738 -0.585 0.000 0.918 360 Q HN 0.746 nan 8.270 nan 0.000 0.444 361 G N 0.806 109.454 108.800 -0.253 0.000 2.162 361 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 361 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 361 G C 0.915 175.771 174.900 -0.075 0.000 0.976 361 G CA 0.917 45.952 45.100 -0.108 0.000 0.655 361 G HN 0.479 nan 8.290 nan 0.000 0.533 362 S N -1.370 114.267 115.700 -0.106 0.000 2.512 362 S HA 0.442 4.912 4.470 -0.001 0.000 0.216 362 S C 1.618 176.075 174.600 -0.238 0.000 1.006 362 S CA 0.709 58.797 58.200 -0.186 0.000 0.915 362 S CB -0.088 62.931 63.200 -0.301 0.000 0.824 362 S HN 0.220 nan 8.310 nan 0.000 0.497 363 F N 1.551 121.390 119.950 -0.185 0.000 2.317 363 F HA 0.228 4.754 4.527 -0.001 0.000 0.293 363 F C 2.045 177.782 175.800 -0.105 0.000 1.085 363 F CA -0.054 57.865 58.000 -0.135 0.000 1.390 363 F CB -0.444 38.476 39.000 -0.132 0.000 1.077 363 F HN 0.268 nan 8.300 nan 0.000 0.517 364 c N 0.415 119.070 118.600 0.091 0.000 2.625 364 c HA 0.605 5.174 4.570 -0.001 0.000 0.285 364 c C 1.389 175.494 174.090 0.025 0.000 1.279 364 c CA -0.154 56.192 56.329 0.028 0.000 1.698 364 c CB -1.712 40.822 42.510 0.040 0.000 1.821 364 c HN 0.737 nan 8.230 nan 0.000 0.600 365 G N 1.201 110.003 108.800 0.003 0.000 2.697 365 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.240 365 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.240 365 G C 0.250 175.156 174.900 0.011 0.000 1.346 365 G CA 0.387 45.482 45.100 -0.008 0.000 0.887 365 G HN 0.370 nan 8.290 nan 0.000 0.569 366 Q N -1.254 118.552 119.800 0.010 0.000 2.217 366 Q HA -0.248 4.091 4.340 -0.001 0.000 0.170 366 Q C 1.125 177.135 176.000 0.017 0.000 0.597 366 Q CA 2.516 58.331 55.803 0.021 0.000 1.426 366 Q CB -1.966 26.797 28.738 0.041 0.000 1.504 366 Q HN 1.681 nan 8.270 nan 0.000 0.860 367 D N -1.675 118.727 120.400 0.003 0.000 3.028 367 D HA -0.223 4.417 4.640 -0.001 0.000 0.211 367 D C 0.220 176.529 176.300 0.015 0.000 1.136 367 D CA 1.235 55.232 54.000 -0.005 0.000 0.987 367 D CB -1.026 39.770 40.800 -0.006 0.000 1.128 367 D HN 0.372 nan 8.370 nan 0.000 0.406 368 L N 1.554 122.799 121.223 0.036 0.000 2.360 368 L HA 0.191 4.530 4.340 -0.001 0.000 0.276 368 L C 0.600 177.509 176.870 0.066 0.000 1.121 368 L CA 0.207 55.085 54.840 0.063 0.000 0.845 368 L CB 0.514 42.620 42.059 0.079 0.000 1.143 368 L HN -0.102 nan 8.230 nan 0.000 0.452 369 R N 4.463 125.018 120.500 0.092 0.000 2.490 369 R HA 0.291 4.630 4.340 -0.001 0.000 0.278 369 R C -0.412 176.023 176.300 0.226 0.000 1.069 369 R CA -0.534 55.605 56.100 0.065 0.000 1.080 369 R CB 0.302 30.688 30.300 0.145 0.000 1.030 369 R HN 0.644 nan 8.270 nan 0.000 0.491 370 F N 0.913 120.939 119.950 0.126 0.000 2.943 370 F HA -0.185 4.341 4.527 -0.001 0.000 0.258 370 F C -1.250 174.614 175.800 0.106 0.000 0.995 370 F CA -0.140 57.939 58.000 0.131 0.000 0.896 370 F CB -1.113 37.955 39.000 0.114 0.000 0.821 370 F HN 0.574 nan 8.300 nan 0.000 0.828 371 P HA -0.216 nan 4.420 nan 0.000 0.216 371 P C 1.798 179.166 177.300 0.113 0.000 1.153 371 P CA 1.724 64.929 63.100 0.175 0.000 0.858 371 P CB 0.236 32.064 31.700 0.214 0.000 0.789 372 L N -0.846 120.408 121.223 0.052 0.000 2.072 372 L HA -0.087 4.252 4.340 -0.001 0.000 0.205 372 L C 2.643 179.533 176.870 0.035 0.000 1.079 372 L CA 1.943 56.752 54.840 -0.053 0.000 0.752 372 L CB -1.640 40.286 42.059 -0.223 0.000 0.906 372 L HN 0.015 nan 8.230 nan 0.000 0.436 373 T N -0.753 113.869 114.554 0.113 0.000 2.867 373 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 373 T C 1.742 176.492 174.700 0.083 0.000 1.057 373 T CA 0.971 63.134 62.100 0.104 0.000 1.136 373 T CB -0.188 68.759 68.868 0.132 0.000 0.874 373 T HN 0.266 nan 8.240 nan 0.000 0.466 374 N N 1.160 119.929 118.700 0.115 0.000 2.216 374 N HA 0.052 4.791 4.740 -0.001 0.000 0.183 374 N C 2.178 177.726 175.510 0.064 0.000 1.017 374 N CA 1.083 54.188 53.050 0.092 0.000 0.861 374 N CB -0.299 38.260 38.487 0.120 0.000 0.986 374 N HN 0.402 nan 8.380 nan 0.000 0.428 375 A N 1.367 124.221 122.820 0.058 0.000 1.902 375 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 375 A C 2.283 179.881 177.584 0.024 0.000 1.181 375 A CA 0.902 52.961 52.037 0.037 0.000 0.623 375 A CB -0.580 18.435 19.000 0.025 0.000 0.818 375 A HN 0.205 nan 8.150 nan 0.000 0.443 376 I N -0.698 119.886 120.570 0.023 0.000 2.252 376 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 376 I C 2.555 178.678 176.117 0.011 0.000 1.102 376 I CA 1.744 63.051 61.300 0.011 0.000 1.385 376 I CB -0.256 37.756 38.000 0.019 0.000 1.064 376 I HN 0.401 nan 8.210 nan 0.000 0.414 377 K N 1.110 121.526 120.400 0.027 0.000 2.002 377 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 377 K C 1.675 178.295 176.600 0.034 0.000 1.048 377 K CA 2.056 58.364 56.287 0.035 0.000 0.930 377 K CB -0.072 32.453 32.500 0.042 0.000 0.714 377 K HN 0.183 nan 8.250 nan 0.000 0.438 378 D N 0.508 120.928 120.400 0.034 0.000 2.149 378 D HA -0.160 4.479 4.640 -0.001 0.000 0.198 378 D C 1.765 178.079 176.300 0.024 0.000 0.990 378 D CA 1.414 55.433 54.000 0.031 0.000 0.839 378 D CB -0.259 40.560 40.800 0.032 0.000 0.948 378 D HN 0.395 nan 8.370 nan 0.000 0.460 379 A N 0.462 123.288 122.820 0.010 0.000 1.930 379 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 379 A C 2.345 179.912 177.584 -0.029 0.000 1.175 379 A CA 0.692 52.725 52.037 -0.007 0.000 0.627 379 A CB -0.657 18.333 19.000 -0.017 0.000 0.815 379 A HN 0.199 nan 8.150 nan 0.000 0.443 380 L N -1.085 120.116 121.223 -0.037 0.000 2.141 380 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 380 L C 2.856 179.786 176.870 0.100 0.000 1.094 380 L CA 0.973 55.772 54.840 -0.067 0.000 0.763 380 L CB -0.294 41.748 42.059 -0.029 0.000 0.908 380 L HN 0.443 nan 8.230 nan 0.000 0.437 381 A N -0.248 122.626 122.820 0.089 0.000 2.132 381 A HA 0.326 4.645 4.320 -0.001 0.000 0.213 381 A C 1.426 179.057 177.584 0.078 0.000 1.154 381 A CA 0.505 52.603 52.037 0.101 0.000 0.753 381 A CB -0.291 18.750 19.000 0.069 0.000 0.826 381 A HN 0.277 nan 8.150 nan 0.000 0.469 382 A N -0.701 122.153 122.820 0.056 0.000 2.409 382 A HA 0.483 4.802 4.320 -0.001 0.000 0.246 382 A C 0.973 178.589 177.584 0.053 0.000 1.099 382 A CA 0.806 52.870 52.037 0.043 0.000 0.789 382 A CB -0.589 18.428 19.000 0.028 0.000 1.053 382 A HN 1.122 nan 8.150 nan 0.000 0.503 383 T N 0.000 114.579 114.554 0.041 0.000 3.816 383 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 383 T CA 0.000 62.125 62.100 0.041 0.000 1.349 383 T CB 0.000 68.896 68.868 0.047 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658