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 2vdk_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.870 176.870 0.001 0.000 1.165 1 L CA 0.000 54.843 54.840 0.005 0.000 0.813 1 L CB 0.000 42.074 42.059 0.025 0.000 0.961 2 N N 0.186 118.889 118.700 0.005 0.000 2.628 2 N HA 0.317 5.057 4.740 -0.000 0.000 0.299 2 N C -1.085 174.420 175.510 -0.010 0.000 1.834 2 N CA -0.279 52.762 53.050 -0.015 0.000 0.871 2 N CB -0.362 38.096 38.487 -0.048 0.000 1.377 2 N HN 0.198 nan 8.380 nan 0.000 0.493 3 L N 0.283 121.518 121.223 0.020 0.000 2.331 3 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 3 L C 0.382 177.307 176.870 0.091 0.000 1.106 3 L CA -0.307 54.572 54.840 0.065 0.000 0.824 3 L CB 0.851 42.952 42.059 0.071 0.000 1.142 3 L HN 0.290 nan 8.230 nan 0.000 0.443 4 D N 5.930 126.394 120.400 0.105 0.000 2.325 4 D HA 0.115 4.755 4.640 -0.000 0.000 0.251 4 D C -1.730 174.667 176.300 0.162 0.000 1.196 4 D CA -1.357 52.695 54.000 0.087 0.000 0.866 4 D CB 1.822 42.644 40.800 0.036 0.000 1.101 4 D HN 0.305 nan 8.370 nan 0.000 0.476 5 P HA -0.007 nan 4.420 nan 0.000 0.239 5 P C 1.371 178.707 177.300 0.060 0.000 1.188 5 P CA 0.042 63.267 63.100 0.208 0.000 0.794 5 P CB 0.734 32.535 31.700 0.168 0.000 0.937 6 V N 0.161 120.086 119.914 0.018 0.000 2.379 6 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 6 V C 1.425 177.486 176.094 -0.056 0.000 1.035 6 V CA 1.359 63.650 62.300 -0.014 0.000 1.035 6 V CB -0.950 30.870 31.823 -0.006 0.000 0.673 6 V HN 0.091 nan 8.190 nan 0.000 0.457 7 Q N 1.472 121.236 119.800 -0.059 0.000 3.150 7 Q HA 0.369 4.708 4.340 -0.000 0.000 0.297 7 Q C -0.374 175.528 176.000 -0.164 0.000 1.382 7 Q CA 0.141 55.895 55.803 -0.081 0.000 1.059 7 Q CB 0.120 28.839 28.738 -0.032 0.000 1.559 7 Q HN 0.504 nan 8.270 nan 0.000 0.548 8 L N 0.425 121.464 121.223 -0.307 0.000 2.456 8 L HA 0.413 4.753 4.340 -0.000 0.000 0.257 8 L C 0.445 176.982 176.870 -0.555 0.000 1.162 8 L CA -0.140 54.354 54.840 -0.577 0.000 0.808 8 L CB 0.688 42.182 42.059 -0.942 0.000 1.136 8 L HN 0.109 nan 8.230 nan 0.000 0.466 9 T N 1.113 115.330 114.554 -0.562 0.000 2.840 9 T HA 0.511 4.861 4.350 -0.000 0.000 0.287 9 T C -0.707 173.692 174.700 -0.501 0.000 0.991 9 T CA -0.305 61.531 62.100 -0.441 0.000 0.964 9 T CB 0.698 69.478 68.868 -0.148 0.000 0.954 9 T HN 0.125 nan 8.240 nan 0.000 0.438 10 F N 2.625 122.501 119.950 -0.123 0.000 2.411 10 F HA 0.522 5.049 4.527 -0.000 0.000 0.352 10 F C -0.230 175.495 175.800 -0.126 0.000 1.123 10 F CA -1.019 56.985 58.000 0.008 0.000 1.044 10 F CB 0.902 39.944 39.000 0.070 0.000 1.135 10 F HN 0.484 nan 8.300 nan 0.000 0.461 11 Y N 1.970 122.474 120.300 0.341 0.000 2.361 11 Y HA 0.689 5.239 4.550 -0.000 0.000 0.332 11 Y C 0.126 176.112 175.900 0.144 0.000 1.101 11 Y CA -0.987 57.255 58.100 0.237 0.000 1.137 11 Y CB 1.755 40.415 38.460 0.334 0.000 1.207 11 Y HN 0.634 nan 8.280 nan 0.000 0.463 12 A N 1.602 124.374 122.820 -0.080 0.000 2.386 12 A HA 0.852 5.172 4.320 -0.000 0.000 0.311 12 A C -0.134 176.734 177.584 -1.192 0.000 1.068 12 A CA -0.176 51.585 52.037 -0.460 0.000 0.743 12 A CB 1.013 19.883 19.000 -0.218 0.000 1.258 12 A HN 0.859 nan 8.150 nan 0.000 0.429 13 G N 0.397 108.311 108.800 -1.477 0.000 2.887 13 G HA2 0.741 4.701 3.960 -0.000 0.000 0.277 13 G HA3 0.741 4.701 3.960 -0.000 0.000 0.277 13 G C -2.974 171.649 174.900 -0.462 0.000 1.346 13 G CA -1.731 42.625 45.100 -1.240 0.000 1.058 13 G HN 0.534 nan 8.290 nan 0.000 0.535 14 P HA 0.177 nan 4.420 nan 0.000 0.274 14 P C -0.395 176.889 177.300 -0.027 0.000 1.237 14 P CA -0.734 62.317 63.100 -0.083 0.000 0.793 14 P CB 0.520 32.228 31.700 0.014 0.000 0.977 15 N N 0.749 119.439 118.700 -0.017 0.000 2.412 15 N HA 0.211 4.951 4.740 -0.000 0.000 0.254 15 N C 1.522 177.051 175.510 0.033 0.000 1.232 15 N CA 1.699 54.751 53.050 0.003 0.000 0.880 15 N CB -0.452 38.034 38.487 -0.002 0.000 1.076 15 N HN 0.742 nan 8.380 nan 0.000 0.458 16 G N 0.407 109.234 108.800 0.045 0.000 2.166 16 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 16 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 16 G C 0.895 175.844 174.900 0.081 0.000 0.986 16 G CA 1.049 46.184 45.100 0.058 0.000 0.683 16 G HN 0.716 nan 8.290 nan 0.000 0.527 17 S N -1.045 114.721 115.700 0.111 0.000 2.503 17 S HA 0.205 4.675 4.470 -0.000 0.000 0.217 17 S C 1.242 175.953 174.600 0.185 0.000 0.999 17 S CA 1.157 59.450 58.200 0.155 0.000 0.914 17 S CB -0.109 63.216 63.200 0.208 0.000 0.782 17 S HN 1.050 nan 8.310 nan 0.000 0.520 18 Q N -0.211 119.717 119.800 0.212 0.000 2.494 18 Q HA -0.195 4.145 4.340 -0.000 0.000 0.272 18 Q C -0.529 175.668 176.000 0.328 0.000 1.145 18 Q CA 0.490 56.467 55.803 0.290 0.000 0.943 18 Q CB -2.464 26.373 28.738 0.165 0.000 1.338 18 Q HN 0.737 nan 8.270 nan 0.000 0.492 19 F N 0.900 120.940 119.950 0.150 0.000 2.569 19 F HA 0.179 4.706 4.527 -0.000 0.000 0.395 19 F C 1.436 177.327 175.800 0.152 0.000 1.028 19 F CA 2.140 60.216 58.000 0.126 0.000 1.158 19 F CB 0.255 39.249 39.000 -0.008 0.000 1.023 19 F HN 0.316 nan 8.300 nan 0.000 0.547 20 G N 4.873 113.575 108.800 -0.164 0.000 2.168 20 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.197 20 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.197 20 G C 0.626 175.618 174.900 0.155 0.000 0.997 20 G CA 0.076 45.147 45.100 -0.048 0.000 0.658 20 G HN 0.735 nan 8.290 nan 0.000 0.513 21 F N 2.484 122.473 119.950 0.065 0.000 2.171 21 F HA 0.226 4.753 4.527 -0.000 0.000 0.300 21 F C 1.551 177.406 175.800 0.092 0.000 1.090 21 F CA 2.195 60.238 58.000 0.072 0.000 1.293 21 F CB 0.205 39.146 39.000 -0.100 0.000 1.013 21 F HN 0.531 nan 8.300 nan 0.000 0.486 22 S N -0.124 115.658 115.700 0.137 0.000 2.595 22 S HA 0.733 5.203 4.470 -0.000 0.000 0.281 22 S C -1.168 173.398 174.600 -0.056 0.000 1.117 22 S CA -0.574 57.629 58.200 0.006 0.000 0.873 22 S CB 2.430 65.654 63.200 0.042 0.000 1.108 22 S HN 0.281 nan 8.310 nan 0.000 0.477 23 L N -1.408 119.760 121.223 -0.092 0.000 2.671 23 L HA 1.005 5.344 4.340 -0.000 0.000 0.259 23 L C -1.524 175.262 176.870 -0.139 0.000 1.021 23 L CA -0.546 54.214 54.840 -0.134 0.000 0.871 23 L CB 1.129 43.083 42.059 -0.176 0.000 1.472 23 L HN 0.796 nan 8.230 nan 0.000 0.410 24 D N -0.644 119.657 120.400 -0.164 0.000 2.648 24 D HA 0.569 5.208 4.640 -0.000 0.000 0.244 24 D C -1.645 174.548 176.300 -0.179 0.000 1.244 24 D CA -0.280 53.636 54.000 -0.139 0.000 0.772 24 D CB 1.566 42.367 40.800 0.002 0.000 1.379 24 D HN 0.400 nan 8.370 nan 0.000 0.428 25 F N 1.503 121.489 119.950 0.060 0.000 2.443 25 F HA 0.357 4.884 4.527 -0.000 0.000 0.353 25 F C 0.576 176.450 175.800 0.124 0.000 1.101 25 F CA 0.027 58.068 58.000 0.068 0.000 1.226 25 F CB 0.739 39.757 39.000 0.029 0.000 1.140 25 F HN 0.246 nan 8.300 nan 0.000 0.557 26 H N 2.774 121.963 119.070 0.199 0.000 2.589 26 H HA 0.421 4.977 4.556 -0.000 0.000 0.351 26 H C -1.276 174.115 175.328 0.105 0.000 1.074 26 H CA -1.050 55.073 56.048 0.124 0.000 1.203 26 H CB 1.370 31.188 29.762 0.093 0.000 1.558 26 H HN 0.588 nan 8.280 nan 0.000 0.522 27 K N 3.834 123.905 120.400 -0.549 0.000 2.323 27 K HA 0.236 4.556 4.320 -0.000 0.000 0.259 27 K C -0.819 175.425 176.600 -0.593 0.000 0.947 27 K CA -0.918 55.115 56.287 -0.422 0.000 0.819 27 K CB 0.870 33.246 32.500 -0.206 0.000 1.109 27 K HN 0.847 nan 8.250 nan 0.000 0.429 28 D N 1.655 121.845 120.400 -0.350 0.000 2.433 28 D HA -0.025 4.615 4.640 -0.000 0.000 0.255 28 D C 1.037 177.271 176.300 -0.111 0.000 1.226 28 D CA -0.289 53.611 54.000 -0.166 0.000 1.015 28 D CB 0.716 41.526 40.800 0.017 0.000 1.091 28 D HN 0.402 nan 8.370 nan 0.000 0.527 29 S N -0.918 114.724 115.700 -0.097 0.000 2.399 29 S HA -0.273 4.197 4.470 -0.000 0.000 0.231 29 S C 1.590 176.066 174.600 -0.207 0.000 1.022 29 S CA 1.221 59.311 58.200 -0.183 0.000 0.983 29 S CB -1.021 62.030 63.200 -0.248 0.000 0.803 29 S HN 0.598 nan 8.310 nan 0.000 0.480 30 H N 1.456 120.495 119.070 -0.051 0.000 2.495 30 H HA 0.311 4.867 4.556 -0.000 0.000 0.287 30 H C 1.923 177.223 175.328 -0.047 0.000 1.033 30 H CA 0.902 56.927 56.048 -0.039 0.000 1.307 30 H CB -0.291 29.459 29.762 -0.021 0.000 1.401 30 H HN 0.632 nan 8.280 nan 0.000 0.555 31 G N -0.067 108.754 108.800 0.036 0.000 2.184 31 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.206 31 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.206 31 G C 0.315 175.207 174.900 -0.012 0.000 0.995 31 G CA -0.158 44.932 45.100 -0.017 0.000 0.651 31 G HN 0.350 nan 8.290 nan 0.000 0.511 32 R N 1.157 121.672 120.500 0.024 0.000 2.370 32 R HA 0.520 4.860 4.340 -0.000 0.000 0.309 32 R C 0.440 176.748 176.300 0.014 0.000 1.059 32 R CA -0.009 56.112 56.100 0.034 0.000 0.981 32 R CB 0.588 30.923 30.300 0.059 0.000 0.972 32 R HN 0.144 nan 8.270 nan 0.000 0.437 33 V N 4.648 124.579 119.914 0.027 0.000 2.583 33 V HA 0.596 4.716 4.120 -0.000 0.000 0.287 33 V C 0.494 176.678 176.094 0.149 0.000 1.051 33 V CA 0.274 62.601 62.300 0.045 0.000 1.010 33 V CB 0.938 32.759 31.823 -0.003 0.000 0.988 33 V HN 0.987 nan 8.190 nan 0.000 0.478 34 A N 5.447 128.371 122.820 0.174 0.000 2.483 34 A HA 0.937 5.256 4.320 -0.000 0.000 0.286 34 A C -0.978 176.735 177.584 0.214 0.000 1.207 34 A CA -0.753 51.411 52.037 0.213 0.000 0.764 34 A CB 1.396 20.514 19.000 0.196 0.000 1.341 34 A HN 0.668 nan 8.150 nan 0.000 0.428 35 I N 0.542 121.176 120.570 0.106 0.000 2.418 35 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 35 I C -0.576 175.531 176.117 -0.017 0.000 1.008 35 I CA -0.856 60.438 61.300 -0.009 0.000 1.104 35 I CB 1.797 39.717 38.000 -0.132 0.000 1.264 35 I HN 0.355 nan 8.210 nan 0.000 0.438 36 V N 8.302 128.212 119.914 -0.007 0.000 2.461 36 V HA 0.438 4.558 4.120 -0.000 0.000 0.275 36 V C -0.336 175.715 176.094 -0.071 0.000 1.047 36 V CA -0.051 62.247 62.300 -0.004 0.000 0.955 36 V CB 1.557 33.386 31.823 0.011 0.000 0.988 36 V HN 0.462 nan 8.190 nan 0.000 0.471 37 V N 6.419 126.294 119.914 -0.065 0.000 2.540 37 V HA 0.671 4.791 4.120 -0.000 0.000 0.302 37 V C 0.677 176.724 176.094 -0.079 0.000 1.035 37 V CA -0.191 61.982 62.300 -0.212 0.000 0.873 37 V CB 1.562 33.002 31.823 -0.639 0.000 0.992 37 V HN 0.993 nan 8.190 nan 0.000 0.428 38 G N 2.704 111.460 108.800 -0.073 0.000 2.356 38 G HA2 0.601 4.561 3.960 -0.000 0.000 0.298 38 G HA3 0.601 4.561 3.960 -0.000 0.000 0.298 38 G C -0.159 174.781 174.900 0.068 0.000 1.145 38 G CA -0.081 45.031 45.100 0.019 0.000 0.850 38 G HN 1.186 nan 8.290 nan 0.000 0.487 39 A N 4.408 127.320 122.820 0.154 0.000 3.030 39 A HA 0.640 4.960 4.320 -0.000 0.000 0.335 39 A C -1.481 176.178 177.584 0.126 0.000 1.089 39 A CA -1.134 51.045 52.037 0.238 0.000 0.807 39 A CB 1.436 20.767 19.000 0.552 0.000 1.099 39 A HN 0.447 nan 8.150 nan 0.000 0.474 40 P HA -0.100 nan 4.420 nan 0.000 0.230 40 P C 0.727 178.018 177.300 -0.015 0.000 1.158 40 P CA 0.894 63.957 63.100 -0.062 0.000 0.769 40 P CB 0.202 31.753 31.700 -0.248 0.000 0.807 41 R N -0.959 119.548 120.500 0.012 0.000 2.509 41 R HA 0.185 4.525 4.340 -0.000 0.000 0.300 41 R C 0.167 176.508 176.300 0.068 0.000 0.985 41 R CA -0.025 56.091 56.100 0.026 0.000 1.092 41 R CB 0.054 30.358 30.300 0.006 0.000 1.237 41 R HN 0.073 nan 8.270 nan 0.000 0.546 42 T N 2.418 117.037 114.554 0.108 0.000 2.905 42 T HA 0.038 4.388 4.350 -0.000 0.000 0.299 42 T C 0.658 175.408 174.700 0.082 0.000 1.024 42 T CA 0.310 62.492 62.100 0.135 0.000 1.151 42 T CB 0.655 69.638 68.868 0.192 0.000 0.987 42 T HN 0.111 nan 8.240 nan 0.000 0.535 43 L N 3.037 124.307 121.223 0.077 0.000 2.453 43 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 43 L C 1.502 178.400 176.870 0.047 0.000 1.182 43 L CA -0.431 54.442 54.840 0.054 0.000 0.858 43 L CB 0.021 42.109 42.059 0.048 0.000 1.120 43 L HN 0.786 nan 8.230 nan 0.000 0.474 44 G N 2.845 111.665 108.800 0.034 0.000 2.553 44 G HA2 0.214 4.174 3.960 -0.000 0.000 0.278 44 G HA3 0.214 4.174 3.960 -0.000 0.000 0.278 44 G C -1.465 173.450 174.900 0.025 0.000 1.349 44 G CA -0.606 44.508 45.100 0.023 0.000 1.037 44 G HN 0.589 nan 8.290 nan 0.000 0.508 45 P HA 0.046 nan 4.420 nan 0.000 0.229 45 P C 0.873 178.185 177.300 0.021 0.000 1.160 45 P CA 0.716 63.828 63.100 0.019 0.000 0.777 45 P CB 0.449 32.158 31.700 0.015 0.000 0.814 46 S N -0.325 115.389 115.700 0.024 0.000 2.561 46 S HA 0.162 4.631 4.470 -0.000 0.000 0.245 46 S C 0.496 175.110 174.600 0.024 0.000 1.001 46 S CA -0.353 57.861 58.200 0.024 0.000 1.002 46 S CB -0.261 62.955 63.200 0.026 0.000 0.805 46 S HN 0.126 nan 8.310 nan 0.000 0.458 47 Q N 0.472 120.287 119.800 0.025 0.000 2.468 47 Q HA -0.230 4.110 4.340 -0.000 0.000 0.256 47 Q C -0.154 175.861 176.000 0.024 0.000 0.984 47 Q CA 0.986 56.803 55.803 0.024 0.000 1.110 47 Q CB -0.930 27.820 28.738 0.020 0.000 1.527 47 Q HN 0.721 nan 8.270 nan 0.000 0.535 48 E N 0.422 120.639 120.200 0.028 0.000 2.183 48 E HA 0.260 4.610 4.350 -0.000 0.000 0.271 48 E C -0.867 175.753 176.600 0.034 0.000 0.919 48 E CA -0.514 55.904 56.400 0.030 0.000 0.781 48 E CB 1.081 30.802 29.700 0.035 0.000 1.140 48 E HN 0.134 nan 8.360 nan 0.000 0.402 49 E N 1.955 122.173 120.200 0.031 0.000 2.415 49 E HA -0.021 4.329 4.350 -0.000 0.000 0.260 49 E C 0.310 176.938 176.600 0.046 0.000 1.016 49 E CA 0.618 57.039 56.400 0.034 0.000 0.924 49 E CB 0.697 30.411 29.700 0.023 0.000 0.961 49 E HN 0.626 nan 8.360 nan 0.000 0.459 50 T N 0.069 114.648 114.554 0.042 0.000 2.966 50 T HA 0.356 4.706 4.350 -0.000 0.000 0.254 50 T C 0.836 175.550 174.700 0.022 0.000 0.961 50 T CA 0.047 62.173 62.100 0.043 0.000 0.915 50 T CB 0.676 69.558 68.868 0.023 0.000 1.186 50 T HN 0.690 nan 8.240 nan 0.000 0.505 51 G N -0.272 108.540 108.800 0.020 0.000 2.746 51 G HA2 0.414 4.374 3.960 -0.000 0.000 0.685 51 G HA3 0.414 4.374 3.960 -0.000 0.000 0.685 51 G C -0.178 174.701 174.900 -0.034 0.000 1.350 51 G CA -0.451 44.652 45.100 0.006 0.000 0.837 51 G HN 1.493 nan 8.290 nan 0.000 0.564 52 G N -2.027 106.752 108.800 -0.034 0.000 2.576 52 G HA2 0.790 4.750 3.960 -0.000 0.000 0.290 52 G HA3 0.790 4.750 3.960 -0.000 0.000 0.290 52 G C -1.298 173.516 174.900 -0.143 0.000 1.442 52 G CA 0.344 45.364 45.100 -0.132 0.000 0.792 52 G HN 1.696 nan 8.290 nan 0.000 0.491 53 V N 0.022 119.797 119.914 -0.233 0.000 2.680 53 V HA 0.749 4.868 4.120 -0.000 0.000 0.309 53 V C -1.072 174.804 176.094 -0.363 0.000 1.052 53 V CA -0.654 61.572 62.300 -0.124 0.000 0.908 53 V CB 1.500 33.383 31.823 0.099 0.000 1.001 53 V HN 0.583 nan 8.190 nan 0.000 0.431 54 F N 3.668 123.676 119.950 0.096 0.000 2.532 54 F HA 0.664 5.191 4.527 -0.000 0.000 0.321 54 F C -0.394 175.445 175.800 0.066 0.000 1.089 54 F CA -0.785 57.289 58.000 0.124 0.000 0.926 54 F CB 1.962 41.140 39.000 0.297 0.000 1.168 54 F HN 0.276 nan 8.300 nan 0.000 0.459 55 L N 4.104 125.459 121.223 0.221 0.000 2.313 55 L HA 0.525 4.864 4.340 -0.000 0.000 0.273 55 L C -1.022 175.926 176.870 0.131 0.000 1.028 55 L CA -0.540 54.381 54.840 0.136 0.000 0.871 55 L CB 0.161 42.275 42.059 0.092 0.000 1.242 55 L HN 0.677 nan 8.230 nan 0.000 0.434 56 c N 6.891 125.529 118.600 0.062 0.000 2.415 56 c HA 0.510 5.080 4.570 -0.000 0.000 0.369 56 c C -1.978 172.121 174.090 0.015 0.000 1.279 56 c CA -0.949 55.352 56.329 -0.047 0.000 1.886 56 c CB 0.230 42.468 42.510 -0.454 0.000 2.468 56 c HN 0.615 nan 8.230 nan 0.000 0.553 57 P HA 0.055 nan 4.420 nan 0.000 0.282 57 P C -0.391 177.080 177.300 0.284 0.000 1.249 57 P CA -0.497 62.710 63.100 0.177 0.000 0.806 57 P CB 0.671 32.457 31.700 0.143 0.000 0.984 58 W N 5.611 127.005 121.300 0.156 0.000 2.381 58 W HA 0.137 4.797 4.660 -0.000 0.000 0.321 58 W C -0.967 175.677 176.519 0.209 0.000 1.407 58 W CA -0.059 57.418 57.345 0.221 0.000 1.274 58 W CB 0.326 29.883 29.460 0.161 0.000 1.310 58 W HN 0.402 nan 8.180 nan 0.000 0.551 59 R N 4.281 124.359 120.500 -0.704 0.000 2.651 59 R HA 0.360 4.700 4.340 -0.000 0.000 0.278 59 R C 0.701 176.206 176.300 -1.324 0.000 1.010 59 R CA -0.230 55.300 56.100 -0.949 0.000 0.896 59 R CB 1.834 31.920 30.300 -0.357 0.000 1.211 59 R HN 0.548 nan 8.270 nan 0.000 0.456 60 A N 2.066 124.272 122.820 -1.023 0.000 1.902 60 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 60 A C 1.682 179.024 177.584 -0.403 0.000 1.181 60 A CA 1.628 53.303 52.037 -0.603 0.000 0.623 60 A CB -0.262 18.579 19.000 -0.265 0.000 0.818 60 A HN 0.837 nan 8.150 nan 0.000 0.443 61 E N -0.144 119.848 120.200 -0.347 0.000 2.358 61 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 61 E C 1.296 177.712 176.600 -0.307 0.000 1.010 61 E CA 0.911 57.163 56.400 -0.248 0.000 0.856 61 E CB -0.987 28.611 29.700 -0.170 0.000 0.795 61 E HN 0.867 nan 8.360 nan 0.000 0.504 62 G N 1.068 109.580 108.800 -0.480 0.000 2.566 62 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.280 62 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.280 62 G C 0.634 175.329 174.900 -0.341 0.000 1.225 62 G CA 0.991 45.617 45.100 -0.790 0.000 0.966 62 G HN 1.265 nan 8.290 nan 0.000 0.560 63 G N -2.745 105.913 108.800 -0.236 0.000 2.341 63 G HA2 0.372 4.332 3.960 -0.000 0.000 0.196 63 G HA3 0.372 4.332 3.960 -0.000 0.000 0.196 63 G C -0.269 174.668 174.900 0.062 0.000 1.231 63 G CA 0.589 45.664 45.100 -0.042 0.000 1.155 63 G HN 1.380 nan 8.290 nan 0.000 0.529 64 Q N -0.518 119.296 119.800 0.023 0.000 2.312 64 Q HA 0.568 4.908 4.340 -0.000 0.000 0.236 64 Q C -0.169 175.880 176.000 0.082 0.000 0.965 64 Q CA 0.137 55.930 55.803 -0.017 0.000 0.894 64 Q CB 1.448 30.162 28.738 -0.039 0.000 1.225 64 Q HN 0.733 nan 8.270 nan 0.000 0.478 65 c N 1.850 120.478 118.600 0.047 0.000 2.707 65 c HA 0.608 5.178 4.570 -0.000 0.000 0.313 65 c C -2.139 172.108 174.090 0.262 0.000 1.209 65 c CA -1.224 55.208 56.329 0.172 0.000 1.635 65 c CB 1.757 44.410 42.510 0.238 0.000 2.206 65 c HN 0.705 nan 8.230 nan 0.000 0.485 66 P HA 0.201 nan 4.420 nan 0.000 0.279 66 P C -0.659 176.803 177.300 0.271 0.000 1.239 66 P CA 0.183 63.415 63.100 0.219 0.000 0.789 66 P CB 0.894 32.667 31.700 0.122 0.000 0.933 67 S N 1.887 117.672 115.700 0.142 0.000 2.499 67 S HA 0.198 4.668 4.470 -0.000 0.000 0.275 67 S C 0.042 174.542 174.600 -0.167 0.000 1.257 67 S CA -0.638 57.469 58.200 -0.155 0.000 1.050 67 S CB -0.442 62.608 63.200 -0.251 0.000 0.937 67 S HN 0.383 nan 8.310 nan 0.000 0.490 68 L N 6.968 128.060 121.223 -0.218 0.000 2.433 68 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 68 L C -0.362 176.199 176.870 -0.514 0.000 1.120 68 L CA -0.055 54.607 54.840 -0.297 0.000 0.879 68 L CB 0.024 41.958 42.059 -0.209 0.000 1.232 68 L HN 0.676 nan 8.230 nan 0.000 0.454 69 L N 5.666 126.603 121.223 -0.478 0.000 2.456 69 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 69 L C -0.887 175.566 176.870 -0.696 0.000 1.189 69 L CA 0.899 55.487 54.840 -0.418 0.000 0.846 69 L CB 0.123 42.039 42.059 -0.238 0.000 1.111 69 L HN 0.439 nan 8.230 nan 0.000 0.475 70 F N 1.776 121.626 119.950 -0.167 0.000 2.613 70 F HA 0.294 4.821 4.527 -0.000 0.000 0.314 70 F C -0.237 175.477 175.800 -0.143 0.000 1.075 70 F CA -1.151 56.734 58.000 -0.191 0.000 0.945 70 F CB 1.127 39.856 39.000 -0.452 0.000 1.310 70 F HN 0.388 nan 8.300 nan 0.000 0.467 71 D N 2.147 122.653 120.400 0.177 0.000 2.346 71 D HA 0.184 4.824 4.640 -0.000 0.000 0.260 71 D C 0.264 176.633 176.300 0.115 0.000 1.252 71 D CA 0.491 54.577 54.000 0.143 0.000 0.895 71 D CB 0.566 41.488 40.800 0.203 0.000 1.097 71 D HN 0.506 nan 8.370 nan 0.000 0.489 72 L N 3.542 124.800 121.223 0.059 0.000 2.700 72 L HA 0.254 4.594 4.340 -0.000 0.000 0.234 72 L C 1.004 177.920 176.870 0.076 0.000 1.156 72 L CA -0.249 54.621 54.840 0.050 0.000 0.946 72 L CB 0.020 42.084 42.059 0.009 0.000 1.216 72 L HN 0.063 nan 8.230 nan 0.000 0.493 73 R N 0.738 121.289 120.500 0.084 0.000 2.308 73 R HA 0.193 4.533 4.340 -0.000 0.000 0.305 73 R C -0.503 175.839 176.300 0.070 0.000 1.053 73 R CA -0.718 55.423 56.100 0.067 0.000 0.957 73 R CB 0.934 31.267 30.300 0.055 0.000 1.022 73 R HN -0.029 nan 8.270 nan 0.000 0.461 74 D N 2.387 122.810 120.400 0.040 0.000 2.400 74 D HA 0.031 4.671 4.640 -0.000 0.000 0.238 74 D C -0.127 176.153 176.300 -0.032 0.000 1.157 74 D CA 0.550 54.542 54.000 -0.014 0.000 0.889 74 D CB 0.753 41.505 40.800 -0.079 0.000 1.199 74 D HN 0.365 nan 8.370 nan 0.000 0.436 75 E N -0.285 119.876 120.200 -0.065 0.000 2.256 75 E HA 0.598 4.948 4.350 -0.000 0.000 0.267 75 E C -0.858 175.678 176.600 -0.106 0.000 0.892 75 E CA -0.819 55.558 56.400 -0.038 0.000 0.775 75 E CB 2.032 31.755 29.700 0.038 0.000 1.207 75 E HN 0.134 nan 8.360 nan 0.000 0.420 76 T N 1.767 116.276 114.554 -0.074 0.000 2.921 76 T HA 0.452 4.801 4.350 -0.000 0.000 0.297 76 T C -1.038 173.635 174.700 -0.045 0.000 1.013 76 T CA -0.737 61.307 62.100 -0.094 0.000 0.990 76 T CB 1.192 70.004 68.868 -0.092 0.000 1.023 76 T HN 0.273 nan 8.240 nan 0.000 0.447 77 R N 2.876 123.351 120.500 -0.041 0.000 2.483 77 R HA 0.347 4.687 4.340 -0.000 0.000 0.303 77 R C -1.144 175.145 176.300 -0.017 0.000 0.987 77 R CA -0.690 55.403 56.100 -0.011 0.000 0.881 77 R CB 0.665 30.981 30.300 0.026 0.000 1.177 77 R HN 0.504 nan 8.270 nan 0.000 0.451 78 N N 3.589 122.282 118.700 -0.013 0.000 2.469 78 N HA 0.202 4.942 4.740 -0.000 0.000 0.239 78 N C -1.213 174.298 175.510 0.002 0.000 1.053 78 N CA -0.035 53.010 53.050 -0.010 0.000 0.937 78 N CB 1.857 40.338 38.487 -0.010 0.000 1.163 78 N HN 0.258 nan 8.380 nan 0.000 0.509 79 V N 0.323 120.242 119.914 0.008 0.000 2.932 79 V HA 0.606 4.726 4.120 -0.000 0.000 0.307 79 V C 0.557 176.662 176.094 0.020 0.000 1.147 79 V CA -0.136 62.174 62.300 0.017 0.000 0.951 79 V CB 1.563 33.402 31.823 0.028 0.000 1.031 79 V HN 0.820 nan 8.190 nan 0.000 0.426 80 G N 4.338 113.149 108.800 0.019 0.000 2.273 80 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.280 80 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.280 80 G C 0.593 175.501 174.900 0.015 0.000 1.047 80 G CA 0.962 46.074 45.100 0.020 0.000 0.869 80 G HN 2.063 nan 8.290 nan 0.000 0.502 81 S N -2.018 113.688 115.700 0.010 0.000 3.587 81 S HA -0.212 4.258 4.470 -0.000 0.000 0.337 81 S C 0.584 175.187 174.600 0.005 0.000 1.119 81 S CA 2.163 60.367 58.200 0.007 0.000 0.976 81 S CB -0.902 62.302 63.200 0.007 0.000 0.922 81 S HN 1.135 nan 8.310 nan 0.000 0.503 82 Q N -0.728 119.075 119.800 0.004 0.000 2.528 82 Q HA 0.597 4.937 4.340 -0.000 0.000 0.289 82 Q C -0.793 175.196 176.000 -0.018 0.000 1.091 82 Q CA -0.814 54.987 55.803 -0.003 0.000 0.797 82 Q CB 1.957 30.699 28.738 0.007 0.000 1.466 82 Q HN 0.198 nan 8.270 nan 0.000 0.436 83 T N 1.665 116.194 114.554 -0.041 0.000 2.864 83 T HA 0.439 4.789 4.350 -0.000 0.000 0.310 83 T C -0.419 174.196 174.700 -0.141 0.000 1.040 83 T CA -0.510 61.549 62.100 -0.068 0.000 0.977 83 T CB 0.181 69.015 68.868 -0.057 0.000 0.976 83 T HN 0.252 nan 8.240 nan 0.000 0.459 84 L N 3.449 124.578 121.223 -0.157 0.000 2.350 84 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 84 L C 0.341 176.981 176.870 -0.383 0.000 1.099 84 L CA -0.605 54.033 54.840 -0.336 0.000 0.808 84 L CB 0.625 42.625 42.059 -0.099 0.000 1.149 84 L HN 0.495 nan 8.230 nan 0.000 0.442 85 Q N 1.465 120.868 119.800 -0.662 0.000 2.289 85 Q HA 0.387 4.727 4.340 -0.000 0.000 0.270 85 Q C -0.846 174.848 176.000 -0.511 0.000 1.038 85 Q CA -0.674 54.801 55.803 -0.547 0.000 0.812 85 Q CB 2.877 31.332 28.738 -0.472 0.000 1.300 85 Q HN 0.737 nan 8.270 nan 0.000 0.427 86 T N -1.208 113.128 114.554 -0.364 0.000 2.859 86 T HA 0.758 5.108 4.350 -0.000 0.000 0.281 86 T C -0.659 173.787 174.700 -0.423 0.000 1.005 86 T CA -0.490 61.555 62.100 -0.092 0.000 1.025 86 T CB 0.586 69.538 68.868 0.141 0.000 0.977 86 T HN 0.320 nan 8.240 nan 0.000 0.458 87 F N 1.362 121.423 119.950 0.186 0.000 2.577 87 F HA 0.471 4.998 4.527 -0.000 0.000 0.344 87 F C 1.084 176.991 175.800 0.180 0.000 1.145 87 F CA -0.965 57.126 58.000 0.151 0.000 0.996 87 F CB 2.099 41.179 39.000 0.134 0.000 1.248 87 F HN 0.595 nan 8.300 nan 0.000 0.447 88 K N 1.688 122.253 120.400 0.276 0.000 2.374 88 K HA 0.356 4.676 4.320 -0.000 0.000 0.196 88 K C 0.692 177.411 176.600 0.198 0.000 1.023 88 K CA -0.113 56.315 56.287 0.235 0.000 1.103 88 K CB 0.551 33.167 32.500 0.194 0.000 0.848 88 K HN 0.564 nan 8.250 nan 0.000 0.528 89 A N 1.966 124.904 122.820 0.196 0.000 2.488 89 A HA 0.116 4.436 4.320 -0.000 0.000 0.249 89 A C 0.270 177.936 177.584 0.137 0.000 1.083 89 A CA -0.055 52.063 52.037 0.135 0.000 0.768 89 A CB 0.083 19.147 19.000 0.107 0.000 1.017 89 A HN 0.387 nan 8.150 nan 0.000 0.496 90 R N 0.631 121.195 120.500 0.108 0.000 3.953 90 R HA -0.245 4.094 4.340 -0.000 0.000 0.340 90 R C 1.138 177.572 176.300 0.223 0.000 1.195 90 R CA 1.526 57.691 56.100 0.108 0.000 0.929 90 R CB -2.448 27.881 30.300 0.048 0.000 1.402 90 R HN 1.102 nan 8.270 nan 0.000 0.540 91 Q N 0.273 120.216 119.800 0.238 0.000 2.364 91 Q HA 0.005 4.345 4.340 -0.000 0.000 0.207 91 Q C 1.095 177.270 176.000 0.292 0.000 0.970 91 Q CA 1.324 57.302 55.803 0.291 0.000 0.888 91 Q CB 0.101 28.973 28.738 0.224 0.000 0.951 91 Q HN 0.456 nan 8.270 nan 0.000 0.469 92 G N 1.798 110.751 108.800 0.254 0.000 2.256 92 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.272 92 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.272 92 G C -0.330 174.551 174.900 -0.031 0.000 1.076 92 G CA 0.115 45.337 45.100 0.203 0.000 0.882 92 G HN 0.437 nan 8.290 nan 0.000 0.497 93 L N 0.106 121.309 121.223 -0.034 0.000 2.534 93 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 93 L C 1.455 178.254 176.870 -0.119 0.000 1.178 93 L CA 1.786 56.557 54.840 -0.116 0.000 0.907 93 L CB 0.361 42.286 42.059 -0.224 0.000 1.164 93 L HN 1.686 nan 8.230 nan 0.000 0.482 94 G N 2.960 111.681 108.800 -0.132 0.000 2.144 94 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 94 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 94 G C 0.849 175.717 174.900 -0.054 0.000 0.988 94 G CA 0.262 45.314 45.100 -0.080 0.000 0.659 94 G HN 1.279 nan 8.290 nan 0.000 0.522 95 A N -0.362 122.366 122.820 -0.153 0.000 2.070 95 A HA 0.485 4.805 4.320 -0.000 0.000 0.220 95 A C 1.604 179.189 177.584 0.003 0.000 1.159 95 A CA 2.252 54.199 52.037 -0.151 0.000 0.656 95 A CB -0.200 18.489 19.000 -0.518 0.000 0.800 95 A HN 2.127 nan 8.150 nan 0.000 0.453 96 S N -1.098 114.539 115.700 -0.105 0.000 2.575 96 S HA 0.584 5.054 4.470 -0.000 0.000 0.278 96 S C -0.845 173.708 174.600 -0.077 0.000 1.139 96 S CA -0.109 58.037 58.200 -0.091 0.000 0.954 96 S CB 1.399 64.509 63.200 -0.151 0.000 1.054 96 S HN 1.237 nan 8.310 nan 0.000 0.483 97 V N 0.345 120.227 119.914 -0.052 0.000 2.735 97 V HA 1.010 5.130 4.120 -0.000 0.000 0.310 97 V C -0.589 175.491 176.094 -0.024 0.000 1.061 97 V CA -0.763 61.514 62.300 -0.038 0.000 0.913 97 V CB 1.180 32.987 31.823 -0.026 0.000 1.005 97 V HN 1.131 nan 8.190 nan 0.000 0.428 98 V N 2.635 122.550 119.914 0.001 0.000 2.971 98 V HA 0.813 4.933 4.120 -0.000 0.000 0.309 98 V C -0.448 175.699 176.094 0.089 0.000 1.130 98 V CA 0.287 62.609 62.300 0.037 0.000 0.964 98 V CB 2.553 34.390 31.823 0.022 0.000 1.029 98 V HN 1.400 nan 8.190 nan 0.000 0.427 99 S N 4.786 120.573 115.700 0.146 0.000 2.537 99 S HA 0.833 5.302 4.470 -0.000 0.000 0.301 99 S C -1.743 173.052 174.600 0.326 0.000 1.092 99 S CA -0.430 57.902 58.200 0.220 0.000 1.048 99 S CB 1.425 64.788 63.200 0.273 0.000 1.053 99 S HN 0.993 nan 8.310 nan 0.000 0.501 100 W N 3.880 125.259 121.300 0.132 0.000 3.615 100 W HA 0.473 5.133 4.660 -0.000 0.000 0.319 100 W C 0.236 176.824 176.519 0.116 0.000 1.172 100 W CA 0.472 57.879 57.345 0.104 0.000 1.240 100 W CB 0.867 30.367 29.460 0.067 0.000 1.313 100 W HN 0.969 nan 8.180 nan 0.000 0.487 101 S N 2.723 117.927 115.700 -0.827 0.000 4.110 101 S HA -0.383 4.087 4.470 -0.000 0.000 0.573 101 S C 0.802 175.269 174.600 -0.222 0.000 1.936 101 S CA 2.405 60.154 58.200 -0.751 0.000 4.227 101 S CB -1.197 61.205 63.200 -1.330 0.000 0.327 101 S HN 1.008 nan 8.310 nan 0.000 0.532 102 D N 1.869 122.189 120.400 -0.134 0.000 2.427 102 D HA 0.408 5.048 4.640 -0.000 0.000 0.224 102 D C 0.133 176.541 176.300 0.179 0.000 1.157 102 D CA 0.056 54.108 54.000 0.088 0.000 0.828 102 D CB -0.170 40.621 40.800 -0.015 0.000 0.974 102 D HN 0.376 nan 8.370 nan 0.000 0.498 103 V N 0.825 120.866 119.914 0.211 0.000 2.628 103 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 103 V C 0.083 176.277 176.094 0.167 0.000 1.045 103 V CA -0.883 61.562 62.300 0.242 0.000 0.905 103 V CB 2.310 34.385 31.823 0.420 0.000 0.997 103 V HN 0.064 nan 8.190 nan 0.000 0.436 104 I N 3.979 124.602 120.570 0.089 0.000 2.404 104 I HA 0.476 4.645 4.170 -0.000 0.000 0.293 104 I C -0.818 175.375 176.117 0.126 0.000 0.992 104 I CA -0.788 60.537 61.300 0.043 0.000 1.149 104 I CB 2.099 40.061 38.000 -0.062 0.000 1.315 104 I HN 0.259 nan 8.210 nan 0.000 0.446 105 V N 5.914 125.877 119.914 0.082 0.000 2.326 105 V HA 0.581 4.700 4.120 -0.000 0.000 0.281 105 V C 0.194 176.275 176.094 -0.021 0.000 1.015 105 V CA -0.502 61.816 62.300 0.030 0.000 0.823 105 V CB 1.237 33.068 31.823 0.013 0.000 1.009 105 V HN 0.803 nan 8.190 nan 0.000 0.436 106 A N 4.403 127.177 122.820 -0.076 0.000 2.303 106 A HA 0.748 5.068 4.320 -0.000 0.000 0.320 106 A C -0.297 177.213 177.584 -0.123 0.000 1.192 106 A CA -0.336 51.625 52.037 -0.127 0.000 0.821 106 A CB 0.855 19.733 19.000 -0.203 0.000 1.188 106 A HN 0.808 nan 8.150 nan 0.000 0.492 107 c N 1.366 119.895 118.600 -0.119 0.000 2.454 107 c HA 0.852 5.422 4.570 -0.000 0.000 0.336 107 c C 0.793 174.795 174.090 -0.147 0.000 1.189 107 c CA -0.282 55.972 56.329 -0.125 0.000 1.877 107 c CB 1.284 43.687 42.510 -0.177 0.000 2.348 107 c HN 1.012 nan 8.230 nan 0.000 0.508 108 A N 2.615 125.365 122.820 -0.117 0.000 2.664 108 A HA 0.590 4.910 4.320 -0.000 0.000 0.338 108 A C -2.010 175.402 177.584 -0.287 0.000 1.280 108 A CA -0.957 50.997 52.037 -0.138 0.000 0.809 108 A CB 0.217 19.276 19.000 0.099 0.000 1.114 108 A HN 0.654 nan 8.150 nan 0.000 0.479 109 P HA -0.095 nan 4.420 nan 0.000 0.220 109 P C 0.508 177.442 177.300 -0.610 0.000 1.148 109 P CA 1.094 63.750 63.100 -0.740 0.000 0.803 109 P CB 0.160 31.119 31.700 -1.235 0.000 0.782 110 W N -0.562 120.729 121.300 -0.015 0.000 3.102 110 W HA 0.338 4.998 4.660 -0.000 0.000 0.401 110 W C 0.389 176.944 176.519 0.059 0.000 1.070 110 W CA -0.511 56.833 57.345 -0.002 0.000 1.921 110 W CB -1.122 28.376 29.460 0.062 0.000 1.118 110 W HN 0.080 nan 8.180 nan 0.000 0.647 111 Q N 1.426 121.320 119.800 0.157 0.000 2.263 111 Q HA -0.043 4.297 4.340 -0.000 0.000 0.289 111 Q C -0.553 175.555 176.000 0.180 0.000 1.061 111 Q CA 0.902 56.832 55.803 0.212 0.000 0.927 111 Q CB 0.508 29.321 28.738 0.125 0.000 1.154 111 Q HN 0.151 nan 8.270 nan 0.000 0.378 112 H N 2.712 121.949 119.070 0.278 0.000 2.517 112 H HA 0.521 5.077 4.556 -0.000 0.000 0.346 112 H C -1.127 174.511 175.328 0.517 0.000 1.222 112 H CA -0.233 56.008 56.048 0.321 0.000 1.314 112 H CB 1.027 30.916 29.762 0.213 0.000 1.609 112 H HN 0.671 nan 8.280 nan 0.000 0.571 113 W N 1.930 123.449 121.300 0.366 0.000 3.479 113 W HA 0.335 4.995 4.660 -0.000 0.000 0.304 113 W C -2.012 174.669 176.519 0.270 0.000 1.243 113 W CA -0.369 57.142 57.345 0.276 0.000 1.202 113 W CB 2.067 31.569 29.460 0.069 0.000 1.346 113 W HN 0.555 nan 8.180 nan 0.000 0.539 114 N N 2.368 120.804 118.700 -0.441 0.000 2.494 114 N HA 0.657 5.397 4.740 -0.000 0.000 0.270 114 N C -2.204 172.890 175.510 -0.693 0.000 1.285 114 N CA -0.409 52.419 53.050 -0.369 0.000 0.812 114 N CB 2.644 41.140 38.487 0.014 0.000 1.557 114 N HN 0.132 nan 8.380 nan 0.000 0.487 115 V N 2.349 122.055 119.914 -0.347 0.000 2.524 115 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 115 V C -0.340 175.699 176.094 -0.091 0.000 1.035 115 V CA -0.668 61.486 62.300 -0.244 0.000 0.867 115 V CB 1.407 33.166 31.823 -0.107 0.000 1.004 115 V HN 0.483 nan 8.190 nan 0.000 0.426 116 L N 3.705 124.881 121.223 -0.077 0.000 2.343 116 L HA 0.740 5.080 4.340 -0.000 0.000 0.275 116 L C -0.021 176.839 176.870 -0.016 0.000 1.056 116 L CA -0.329 54.494 54.840 -0.029 0.000 0.804 116 L CB 1.634 43.680 42.059 -0.021 0.000 1.203 116 L HN 0.704 nan 8.230 nan 0.000 0.440 117 E N 3.352 123.552 120.200 -0.000 0.000 2.448 117 E HA 0.237 4.587 4.350 -0.000 0.000 0.288 117 E C -0.812 175.793 176.600 0.008 0.000 0.936 117 E CA -0.382 56.021 56.400 0.004 0.000 0.809 117 E CB 0.878 30.584 29.700 0.010 0.000 1.408 117 E HN 0.608 nan 8.360 nan 0.000 0.393 118 K N -0.061 120.342 120.400 0.006 0.000 1.779 118 K HA -0.296 4.024 4.320 -0.000 0.000 0.128 118 K C 1.017 177.623 176.600 0.010 0.000 1.288 118 K CA 2.180 58.472 56.287 0.007 0.000 0.398 118 K CB -1.546 30.958 32.500 0.008 0.000 0.609 118 K HN 0.651 nan 8.250 nan 0.000 0.874 119 T N 0.031 114.593 114.554 0.012 0.000 3.129 119 T HA 0.130 4.480 4.350 -0.000 0.000 0.251 119 T C 0.358 175.070 174.700 0.020 0.000 1.117 119 T CA 0.495 62.604 62.100 0.015 0.000 1.034 119 T CB -0.049 68.828 68.868 0.015 0.000 0.968 119 T HN 0.332 nan 8.240 nan 0.000 0.526 120 E N 1.041 121.254 120.200 0.022 0.000 2.232 120 E HA 0.577 4.927 4.350 -0.000 0.000 0.264 120 E C -0.431 176.188 176.600 0.032 0.000 0.973 120 E CA -0.965 55.454 56.400 0.032 0.000 0.849 120 E CB 1.354 31.074 29.700 0.034 0.000 1.198 120 E HN 0.696 nan 8.360 nan 0.000 0.407 121 E N -0.588 119.641 120.200 0.047 0.000 2.433 121 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 121 E C -0.468 176.182 176.600 0.083 0.000 0.976 121 E CA -0.865 55.562 56.400 0.045 0.000 0.793 121 E CB 1.207 30.927 29.700 0.033 0.000 1.311 121 E HN 0.395 nan 8.360 nan 0.000 0.460 122 A N 1.182 124.053 122.820 0.085 0.000 2.014 122 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 122 A C 0.072 177.728 177.584 0.120 0.000 1.163 122 A CA 1.438 53.565 52.037 0.149 0.000 0.652 122 A CB -0.683 18.417 19.000 0.167 0.000 0.808 122 A HN 0.679 nan 8.150 nan 0.000 0.449 123 E N -1.978 118.272 120.200 0.083 0.000 7.325 123 E HA -0.069 4.281 4.350 -0.000 0.000 0.420 123 E C -0.832 175.818 176.600 0.084 0.000 0.616 123 E CA -0.039 56.413 56.400 0.085 0.000 1.670 123 E CB -0.353 29.420 29.700 0.123 0.000 0.915 123 E HN 0.422 nan 8.360 nan 0.000 0.262 124 K N 2.939 123.376 120.400 0.062 0.000 2.278 124 K HA 0.208 4.528 4.320 -0.000 0.000 0.289 124 K C -0.520 176.215 176.600 0.225 0.000 1.080 124 K CA 0.645 56.974 56.287 0.070 0.000 0.934 124 K CB 0.234 32.660 32.500 -0.123 0.000 1.093 124 K HN 0.469 nan 8.250 nan 0.000 0.459 125 T N 1.046 115.769 114.554 0.282 0.000 2.903 125 T HA 0.450 4.800 4.350 -0.000 0.000 0.299 125 T C -2.839 171.821 174.700 -0.066 0.000 1.093 125 T CA -2.149 60.087 62.100 0.225 0.000 1.002 125 T CB 1.953 70.893 68.868 0.121 0.000 1.127 125 T HN 0.299 nan 8.240 nan 0.000 0.488 126 P HA 0.217 nan 4.420 nan 0.000 0.247 126 P C 1.351 178.518 177.300 -0.220 0.000 1.756 126 P CA -0.534 62.235 63.100 -0.551 0.000 1.117 126 P CB 0.172 31.626 31.700 -0.409 0.000 1.869 127 V N 0.244 120.049 119.914 -0.182 0.000 2.809 127 V HA 0.193 4.313 4.120 -0.000 0.000 0.256 127 V C 1.014 176.950 176.094 -0.263 0.000 1.080 127 V CA 0.924 63.079 62.300 -0.241 0.000 1.102 127 V CB -1.910 29.728 31.823 -0.308 0.000 0.705 127 V HN 0.652 nan 8.190 nan 0.000 0.475 128 G N -0.452 108.218 108.800 -0.217 0.000 2.787 128 G HA2 0.103 4.063 3.960 -0.000 0.000 0.685 128 G HA3 0.103 4.063 3.960 -0.000 0.000 0.685 128 G C -0.387 174.344 174.900 -0.281 0.000 1.437 128 G CA 0.052 45.009 45.100 -0.238 0.000 0.872 128 G HN 1.600 nan 8.290 nan 0.000 0.566 129 S N -1.219 114.313 115.700 -0.281 0.000 2.543 129 S HA 0.639 5.109 4.470 -0.000 0.000 0.274 129 S C -0.491 173.888 174.600 -0.368 0.000 1.149 129 S CA 0.095 58.073 58.200 -0.369 0.000 0.866 129 S CB 1.210 64.167 63.200 -0.405 0.000 1.111 129 S HN 1.540 nan 8.310 nan 0.000 0.457 130 c N 3.518 121.885 118.600 -0.389 0.000 2.382 130 c HA 0.701 5.271 4.570 -0.000 0.000 0.327 130 c C -0.913 172.907 174.090 -0.450 0.000 1.250 130 c CA -0.665 55.487 56.329 -0.294 0.000 1.707 130 c CB -0.171 42.250 42.510 -0.147 0.000 2.272 130 c HN 0.750 nan 8.230 nan 0.000 0.506 131 F N 3.194 122.931 119.950 -0.356 0.000 2.404 131 F HA 0.577 5.104 4.527 -0.000 0.000 0.354 131 F C 0.053 175.653 175.800 -0.334 0.000 1.122 131 F CA -0.601 57.129 58.000 -0.450 0.000 1.080 131 F CB 0.566 39.018 39.000 -0.914 0.000 1.131 131 F HN 0.207 nan 8.300 nan 0.000 0.471 132 L N 3.743 124.909 121.223 -0.094 0.000 2.295 132 L HA 0.772 5.112 4.340 -0.000 0.000 0.285 132 L C -0.078 176.948 176.870 0.260 0.000 1.035 132 L CA -0.368 54.455 54.840 -0.028 0.000 0.806 132 L CB 1.481 43.282 42.059 -0.430 0.000 1.214 132 L HN 0.733 nan 8.230 nan 0.000 0.426 133 A N 3.041 126.115 122.820 0.423 0.000 2.393 133 A HA 0.644 4.963 4.320 -0.000 0.000 0.306 133 A C -0.880 176.888 177.584 0.308 0.000 1.050 133 A CA -0.528 51.747 52.037 0.397 0.000 0.724 133 A CB 1.433 20.617 19.000 0.306 0.000 1.248 133 A HN 0.636 nan 8.150 nan 0.000 0.424 134 Q N 3.359 123.290 119.800 0.218 0.000 2.508 134 Q HA 0.323 4.663 4.340 -0.000 0.000 0.247 134 Q C -2.085 173.938 176.000 0.038 0.000 1.047 134 Q CA -2.020 53.825 55.803 0.070 0.000 0.783 134 Q CB 1.175 29.857 28.738 -0.093 0.000 1.172 134 Q HN 0.459 nan 8.270 nan 0.000 0.515 135 P HA -0.194 nan 4.420 nan 0.000 0.216 135 P C 0.171 177.492 177.300 0.035 0.000 1.153 135 P CA 1.396 64.510 63.100 0.024 0.000 0.858 135 P CB 0.315 32.045 31.700 0.051 0.000 0.789 136 E N -0.825 119.406 120.200 0.052 0.000 2.418 136 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 136 E C 1.799 178.409 176.600 0.017 0.000 1.026 136 E CA 1.214 57.640 56.400 0.044 0.000 0.862 136 E CB -0.168 29.560 29.700 0.048 0.000 0.799 136 E HN 0.377 nan 8.360 nan 0.000 0.518 137 S N -1.599 114.101 115.700 0.001 0.000 2.545 137 S HA 0.250 4.720 4.470 -0.000 0.000 0.232 137 S C 1.688 176.289 174.600 0.001 0.000 1.070 137 S CA 0.488 58.683 58.200 -0.009 0.000 0.923 137 S CB 0.911 64.089 63.200 -0.036 0.000 0.806 137 S HN 0.280 nan 8.310 nan 0.000 0.506 138 G N 1.448 110.251 108.800 0.006 0.000 2.195 138 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 138 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 138 G C 0.137 175.063 174.900 0.042 0.000 0.990 138 G CA -0.170 44.935 45.100 0.009 0.000 0.639 138 G HN 0.567 nan 8.290 nan 0.000 0.514 139 R N 0.592 121.128 120.500 0.060 0.000 2.623 139 R HA 0.447 4.787 4.340 -0.000 0.000 0.271 139 R C 0.231 176.696 176.300 0.274 0.000 1.043 139 R CA 0.237 56.421 56.100 0.141 0.000 1.083 139 R CB 0.302 30.649 30.300 0.079 0.000 0.974 139 R HN 0.118 nan 8.270 nan 0.000 0.436 140 R N 0.684 121.364 120.500 0.299 0.000 2.686 140 R HA 0.676 5.015 4.340 -0.000 0.000 0.286 140 R C -1.022 175.336 176.300 0.098 0.000 0.969 140 R CA -0.834 55.421 56.100 0.259 0.000 0.898 140 R CB 2.313 32.729 30.300 0.192 0.000 1.183 140 R HN 0.746 nan 8.270 nan 0.000 0.456 141 A N 1.502 124.145 122.820 -0.294 0.000 2.594 141 A HA 0.715 5.035 4.320 -0.000 0.000 0.291 141 A C -1.203 175.823 177.584 -0.929 0.000 1.105 141 A CA -0.696 50.801 52.037 -0.900 0.000 0.694 141 A CB 2.013 20.382 19.000 -1.051 0.000 1.291 141 A HN 0.640 nan 8.150 nan 0.000 0.410 142 E N -0.821 118.644 120.200 -1.225 0.000 2.359 142 E HA 0.593 4.943 4.350 -0.000 0.000 0.266 142 E C -2.122 174.471 176.600 -0.011 0.000 0.920 142 E CA -0.582 55.467 56.400 -0.585 0.000 0.788 142 E CB 2.606 31.998 29.700 -0.514 0.000 1.279 142 E HN 0.533 nan 8.360 nan 0.000 0.438 143 Y N 0.339 120.532 120.300 -0.179 0.000 2.401 143 Y HA 0.377 4.926 4.550 -0.000 0.000 0.330 143 Y C -1.271 174.460 175.900 -0.282 0.000 1.071 143 Y CA -0.769 57.259 58.100 -0.119 0.000 1.049 143 Y CB 2.119 40.480 38.460 -0.164 0.000 1.239 143 Y HN 0.409 nan 8.280 nan 0.000 0.437 144 S N 8.155 123.388 115.700 -0.779 0.000 2.564 144 S HA 0.311 4.781 4.470 -0.000 0.000 0.141 144 S C -2.452 171.595 174.600 -0.923 0.000 1.474 144 S CA -0.881 56.852 58.200 -0.779 0.000 1.236 144 S CB 0.532 63.372 63.200 -0.601 0.000 1.481 144 S HN 0.575 nan 8.310 nan 0.000 0.397 145 P HA 0.160 nan 4.420 nan 0.000 0.237 145 P C 0.788 177.755 177.300 -0.555 0.000 1.178 145 P CA 0.390 63.005 63.100 -0.808 0.000 0.766 145 P CB -0.221 31.009 31.700 -0.784 0.000 0.876 146 c N -0.773 117.496 118.600 -0.553 0.000 2.926 146 c HA 0.257 4.827 4.570 -0.000 0.000 0.272 146 c C 1.329 175.130 174.090 -0.482 0.000 1.249 146 c CA -0.436 55.628 56.329 -0.443 0.000 1.691 146 c CB -1.039 41.227 42.510 -0.406 0.000 1.983 146 c HN 0.183 nan 8.230 nan 0.000 0.615 147 R N 1.244 121.324 120.500 -0.700 0.000 2.570 147 R HA 0.421 4.761 4.340 -0.000 0.000 0.277 147 R C 0.511 176.519 176.300 -0.486 0.000 1.039 147 R CA 0.614 56.124 56.100 -0.984 0.000 1.065 147 R CB 0.261 29.610 30.300 -1.585 0.000 0.964 147 R HN 0.520 nan 8.270 nan 0.000 0.428 148 G N 0.448 109.173 108.800 -0.125 0.000 2.798 148 G HA2 0.194 4.154 3.960 -0.000 0.000 0.286 148 G HA3 0.194 4.154 3.960 -0.000 0.000 0.286 148 G C -0.562 174.527 174.900 0.315 0.000 1.389 148 G CA -0.730 44.422 45.100 0.087 0.000 0.894 148 G HN 0.684 nan 8.290 nan 0.000 0.488 149 N N -1.071 117.748 118.700 0.198 0.000 2.291 149 N HA 0.148 4.888 4.740 -0.000 0.000 0.244 149 N C -0.098 175.485 175.510 0.122 0.000 1.216 149 N CA -0.306 52.855 53.050 0.185 0.000 0.879 149 N CB 0.706 39.273 38.487 0.134 0.000 1.167 149 N HN 0.233 nan 8.380 nan 0.000 0.515 150 T N 1.519 116.154 114.554 0.135 0.000 2.856 150 T HA 0.361 4.710 4.350 -0.000 0.000 0.292 150 T C 0.547 175.340 174.700 0.154 0.000 0.980 150 T CA -0.420 61.709 62.100 0.048 0.000 1.091 150 T CB 1.132 69.912 68.868 -0.148 0.000 0.936 150 T HN 0.101 nan 8.240 nan 0.000 0.503 151 L N 1.776 123.045 121.223 0.076 0.000 2.456 151 L HA 0.264 4.604 4.340 -0.000 0.000 0.257 151 L C 2.102 179.102 176.870 0.218 0.000 1.162 151 L CA -0.435 54.482 54.840 0.127 0.000 0.808 151 L CB 0.558 42.655 42.059 0.062 0.000 1.136 151 L HN 0.697 nan 8.230 nan 0.000 0.466 152 S N 0.767 116.603 115.700 0.227 0.000 2.365 152 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 152 S C 2.037 176.765 174.600 0.213 0.000 1.039 152 S CA 1.998 60.360 58.200 0.270 0.000 1.033 152 S CB -0.210 63.097 63.200 0.179 0.000 0.887 152 S HN 0.687 nan 8.310 nan 0.000 0.447 153 R N 0.166 120.730 120.500 0.107 0.000 2.105 153 R HA -0.074 4.266 4.340 -0.000 0.000 0.239 153 R C 2.062 178.351 176.300 -0.018 0.000 1.135 153 R CA 1.833 57.958 56.100 0.042 0.000 0.967 153 R CB -0.357 29.958 30.300 0.025 0.000 0.861 153 R HN 0.435 nan 8.270 nan 0.000 0.442 154 I N 0.397 120.936 120.570 -0.051 0.000 2.315 154 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 154 I C 1.831 177.812 176.117 -0.226 0.000 1.117 154 I CA 1.289 62.496 61.300 -0.155 0.000 1.404 154 I CB -1.359 36.507 38.000 -0.224 0.000 1.071 154 I HN 0.167 nan 8.210 nan 0.000 0.419 155 Y N 0.961 121.180 120.300 -0.135 0.000 2.145 155 Y HA -0.177 4.373 4.550 -0.000 0.000 0.286 155 Y C 2.743 178.234 175.900 -0.683 0.000 1.145 155 Y CA 1.314 59.249 58.100 -0.274 0.000 1.148 155 Y CB -1.122 37.255 38.460 -0.139 0.000 0.981 155 Y HN -0.110 nan 8.280 nan 0.000 0.507 156 V N 0.199 119.815 119.914 -0.497 0.000 2.287 156 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 156 V C 1.915 177.830 176.094 -0.297 0.000 1.053 156 V CA 2.215 64.179 62.300 -0.561 0.000 1.027 156 V CB -0.632 31.101 31.823 -0.149 0.000 0.646 156 V HN 0.433 nan 8.190 nan 0.000 0.447 157 E N 0.146 120.239 120.200 -0.178 0.000 2.338 157 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 157 E C 0.921 177.461 176.600 -0.100 0.000 1.007 157 E CA 0.664 57.001 56.400 -0.106 0.000 0.849 157 E CB -0.075 29.578 29.700 -0.078 0.000 0.774 157 E HN 0.611 nan 8.360 nan 0.000 0.506 158 N N 1.160 119.778 118.700 -0.136 0.000 2.338 158 N HA 0.002 4.742 4.740 -0.000 0.000 0.251 158 N C -0.986 174.491 175.510 -0.055 0.000 1.199 158 N CA 0.095 53.102 53.050 -0.071 0.000 0.879 158 N CB 0.900 39.359 38.487 -0.048 0.000 1.159 158 N HN -0.025 nan 8.380 nan 0.000 0.514 159 D N 0.685 121.024 120.400 -0.102 0.000 2.708 159 D HA -0.222 4.418 4.640 -0.000 0.000 0.236 159 D C -0.192 176.190 176.300 0.137 0.000 1.146 159 D CA 0.616 54.625 54.000 0.016 0.000 0.662 159 D CB -1.728 39.100 40.800 0.046 0.000 1.059 159 D HN 0.366 nan 8.370 nan 0.000 0.428 160 F N -1.973 118.033 119.950 0.094 0.000 3.100 160 F HA -0.304 4.223 4.527 -0.000 0.000 0.283 160 F C 1.219 177.106 175.800 0.144 0.000 0.900 160 F CA 0.881 58.978 58.000 0.162 0.000 1.010 160 F CB -2.391 36.595 39.000 -0.024 0.000 1.029 160 F HN 0.147 nan 8.300 nan 0.000 0.637 161 S N -1.984 113.847 115.700 0.218 0.000 2.580 161 S HA 0.364 4.834 4.470 -0.000 0.000 0.274 161 S C 0.128 174.902 174.600 0.290 0.000 1.329 161 S CA -0.151 58.109 58.200 0.099 0.000 1.036 161 S CB 0.479 63.739 63.200 0.100 0.000 0.919 161 S HN 0.458 nan 8.310 nan 0.000 0.515 162 W N -0.341 121.036 121.300 0.130 0.000 6.170 162 W HA -0.165 4.495 4.660 -0.000 0.000 0.394 162 W C -0.246 176.513 176.519 0.400 0.000 1.480 162 W CA 0.651 58.132 57.345 0.225 0.000 1.027 162 W CB -1.746 27.784 29.460 0.117 0.000 2.638 162 W HN 0.809 nan 8.180 nan 0.000 1.547 163 D N 1.020 121.733 120.400 0.522 0.000 2.411 163 D HA 0.188 4.827 4.640 -0.000 0.000 0.225 163 D C 0.820 177.137 176.300 0.029 0.000 1.156 163 D CA -0.050 54.135 54.000 0.308 0.000 0.874 163 D CB 0.634 41.636 40.800 0.337 0.000 1.034 163 D HN 0.254 nan 8.370 nan 0.000 0.502 164 K N 2.714 123.063 120.400 -0.084 0.000 2.397 164 K HA 0.180 4.499 4.320 -0.000 0.000 0.202 164 K C 1.536 177.854 176.600 -0.470 0.000 1.022 164 K CA -0.239 55.881 56.287 -0.278 0.000 1.141 164 K CB 0.874 33.258 32.500 -0.193 0.000 0.857 164 K HN 0.212 nan 8.250 nan 0.000 0.514 165 R N 0.044 120.081 120.500 -0.772 0.000 2.148 165 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 165 R C 0.544 176.363 176.300 -0.802 0.000 1.103 165 R CA 1.293 56.882 56.100 -0.852 0.000 0.983 165 R CB -0.007 29.636 30.300 -1.095 0.000 0.874 165 R HN 0.285 nan 8.270 nan 0.000 0.451 166 Y N -2.741 117.357 120.300 -0.336 0.000 2.696 166 Y HA 0.215 4.765 4.550 -0.000 0.000 0.260 166 Y C 1.639 177.340 175.900 -0.332 0.000 1.165 166 Y CA -1.254 56.628 58.100 -0.363 0.000 1.189 166 Y CB -0.769 37.306 38.460 -0.640 0.000 1.180 166 Y HN -0.069 nan 8.280 nan 0.000 0.538 167 c N 0.880 119.314 118.600 -0.277 0.000 2.375 167 c HA -0.289 4.281 4.570 -0.000 0.000 0.274 167 c C 1.361 175.341 174.090 -0.184 0.000 1.190 167 c CA 2.012 58.187 56.329 -0.258 0.000 1.775 167 c CB -0.844 41.480 42.510 -0.310 0.000 2.067 167 c HN 0.729 nan 8.230 nan 0.000 0.463 168 E N -0.743 119.358 120.200 -0.165 0.000 2.271 168 E HA -0.216 4.134 4.350 -0.000 0.000 0.223 168 E C 0.124 176.616 176.600 -0.179 0.000 1.223 168 E CA 0.019 56.329 56.400 -0.150 0.000 0.704 168 E CB -1.415 28.268 29.700 -0.028 0.000 1.194 168 E HN 0.783 nan 8.360 nan 0.000 0.375 169 A N 0.279 122.959 122.820 -0.234 0.000 2.540 169 A HA 0.389 4.708 4.320 -0.000 0.000 0.239 169 A C 1.681 179.131 177.584 -0.223 0.000 1.061 169 A CA 1.026 52.918 52.037 -0.241 0.000 0.758 169 A CB 0.168 18.973 19.000 -0.326 0.000 0.991 169 A HN 1.149 nan 8.150 nan 0.000 0.502 170 G N 1.090 109.786 108.800 -0.172 0.000 2.176 170 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.253 170 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.253 170 G C 0.720 175.512 174.900 -0.180 0.000 0.979 170 G CA 0.796 45.794 45.100 -0.171 0.000 0.641 170 G HN 1.251 nan 8.290 nan 0.000 0.530 171 F N 2.525 122.282 119.950 -0.321 0.000 2.063 171 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 171 F C 1.832 177.474 175.800 -0.263 0.000 1.109 171 F CA 2.563 60.358 58.000 -0.342 0.000 1.212 171 F CB -0.083 38.729 39.000 -0.313 0.000 0.973 171 F HN 0.620 nan 8.300 nan 0.000 0.480 172 S N -0.851 114.877 115.700 0.046 0.000 2.638 172 S HA 0.715 5.185 4.470 -0.000 0.000 0.302 172 S C -0.523 174.024 174.600 -0.089 0.000 1.096 172 S CA -0.024 58.144 58.200 -0.053 0.000 0.953 172 S CB 1.930 65.124 63.200 -0.010 0.000 1.107 172 S HN 0.534 nan 8.310 nan 0.000 0.503 173 S N -0.147 115.492 115.700 -0.101 0.000 2.565 173 S HA 0.824 5.293 4.470 -0.000 0.000 0.269 173 S C -1.268 173.275 174.600 -0.096 0.000 1.153 173 S CA -0.578 57.559 58.200 -0.104 0.000 0.835 173 S CB 1.146 64.289 63.200 -0.095 0.000 1.122 173 S HN 1.969 nan 8.310 nan 0.000 0.462 174 V N 0.762 120.610 119.914 -0.109 0.000 3.225 174 V HA 0.769 4.889 4.120 -0.000 0.000 0.293 174 V C -1.851 174.175 176.094 -0.115 0.000 1.405 174 V CA -0.469 61.778 62.300 -0.090 0.000 1.038 174 V CB 2.026 33.791 31.823 -0.097 0.000 1.123 174 V HN 1.184 nan 8.190 nan 0.000 0.447 175 V N 3.380 123.249 119.914 -0.075 0.000 2.656 175 V HA 0.643 4.762 4.120 -0.000 0.000 0.307 175 V C 0.385 176.423 176.094 -0.093 0.000 1.051 175 V CA -0.017 62.196 62.300 -0.145 0.000 0.893 175 V CB 2.047 33.781 31.823 -0.150 0.000 0.999 175 V HN 1.120 nan 8.190 nan 0.000 0.426 176 T N 0.857 115.323 114.554 -0.146 0.000 2.788 176 T HA 0.172 4.522 4.350 -0.000 0.000 0.287 176 T C 0.854 175.571 174.700 0.029 0.000 1.007 176 T CA -0.342 61.741 62.100 -0.027 0.000 1.005 176 T CB 0.936 69.807 68.868 0.004 0.000 1.012 176 T HN 0.544 nan 8.240 nan 0.000 0.530 177 Q N 0.276 120.169 119.800 0.154 0.000 2.167 177 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 177 Q C 2.567 178.794 176.000 0.379 0.000 0.970 177 Q CA 1.637 57.630 55.803 0.317 0.000 0.855 177 Q CB -0.948 27.910 28.738 0.200 0.000 0.911 177 Q HN 0.916 nan 8.270 nan 0.000 0.438 178 A N -0.128 122.786 122.820 0.157 0.000 2.066 178 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 178 A C 1.495 179.065 177.584 -0.024 0.000 1.157 178 A CA 1.453 53.561 52.037 0.118 0.000 0.670 178 A CB -0.205 18.815 19.000 0.033 0.000 0.804 178 A HN 0.454 nan 8.150 nan 0.000 0.453 179 G N -1.142 107.376 108.800 -0.469 0.000 2.141 179 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.164 179 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.164 179 G C -0.369 174.081 174.900 -0.751 0.000 1.009 179 G CA 0.008 44.307 45.100 -1.336 0.000 0.677 179 G HN 0.375 nan 8.290 nan 0.000 0.508 180 E N 0.260 120.191 120.200 -0.448 0.000 2.180 180 E HA 0.333 4.683 4.350 -0.000 0.000 0.283 180 E C 0.145 176.548 176.600 -0.328 0.000 1.061 180 E CA -0.626 55.590 56.400 -0.306 0.000 0.861 180 E CB 1.609 31.214 29.700 -0.158 0.000 1.056 180 E HN 0.332 nan 8.360 nan 0.000 0.407 181 L N 4.779 125.812 121.223 -0.316 0.000 2.331 181 L HA 0.149 4.488 4.340 -0.000 0.000 0.278 181 L C -0.883 175.858 176.870 -0.214 0.000 1.106 181 L CA -0.182 54.504 54.840 -0.257 0.000 0.824 181 L CB 1.036 42.949 42.059 -0.245 0.000 1.142 181 L HN 0.138 nan 8.230 nan 0.000 0.443 182 V N 6.893 126.675 119.914 -0.220 0.000 2.444 182 V HA 0.451 4.570 4.120 -0.000 0.000 0.294 182 V C -0.119 175.872 176.094 -0.171 0.000 1.022 182 V CA -0.590 61.564 62.300 -0.244 0.000 0.850 182 V CB 1.514 33.050 31.823 -0.477 0.000 0.992 182 V HN 0.613 nan 8.190 nan 0.000 0.426 183 L N 3.843 124.999 121.223 -0.113 0.000 2.329 183 L HA 0.747 5.087 4.340 -0.000 0.000 0.279 183 L C 0.778 177.572 176.870 -0.126 0.000 1.014 183 L CA -0.559 54.217 54.840 -0.106 0.000 0.814 183 L CB 1.911 43.922 42.059 -0.080 0.000 1.257 183 L HN 0.745 nan 8.230 nan 0.000 0.424 184 G N 1.595 110.323 108.800 -0.120 0.000 2.339 184 G HA2 0.551 4.511 3.960 -0.000 0.000 0.287 184 G HA3 0.551 4.511 3.960 -0.000 0.000 0.287 184 G C -0.403 174.436 174.900 -0.101 0.000 1.163 184 G CA -0.232 44.797 45.100 -0.117 0.000 0.872 184 G HN 0.713 nan 8.290 nan 0.000 0.464 185 A N 4.997 127.744 122.820 -0.121 0.000 2.842 185 A HA 0.662 4.982 4.320 -0.000 0.000 0.339 185 A C -1.463 176.048 177.584 -0.121 0.000 1.177 185 A CA -1.260 50.687 52.037 -0.151 0.000 0.797 185 A CB 1.607 20.485 19.000 -0.204 0.000 1.094 185 A HN 0.458 nan 8.150 nan 0.000 0.474 186 P HA -0.040 nan 4.420 nan 0.000 0.229 186 P C 1.257 178.622 177.300 0.108 0.000 1.160 186 P CA 1.425 64.499 63.100 -0.043 0.000 0.777 186 P CB 0.229 31.736 31.700 -0.322 0.000 0.814 187 G N -0.109 108.680 108.800 -0.018 0.000 2.985 187 G HA2 0.160 4.120 3.960 -0.000 0.000 0.209 187 G HA3 0.160 4.120 3.960 -0.000 0.000 0.209 187 G C 0.854 175.635 174.900 -0.198 0.000 1.165 187 G CA 0.028 45.117 45.100 -0.017 0.000 0.776 187 G HN 0.386 nan 8.290 nan 0.000 0.541 188 G N -0.732 107.970 108.800 -0.163 0.000 2.491 188 G HA2 0.287 4.247 3.960 -0.000 0.000 0.238 188 G HA3 0.287 4.247 3.960 -0.000 0.000 0.238 188 G C 0.025 174.824 174.900 -0.169 0.000 1.277 188 G CA -0.370 44.538 45.100 -0.321 0.000 0.851 188 G HN 0.382 nan 8.290 nan 0.000 0.573 189 Y N -0.762 119.509 120.300 -0.047 0.000 3.027 189 Y HA -0.228 4.322 4.550 -0.000 0.000 0.195 189 Y C 0.751 176.698 175.900 0.079 0.000 1.381 189 Y CA 0.682 58.776 58.100 -0.011 0.000 1.015 189 Y CB -2.838 35.568 38.460 -0.089 0.000 1.329 189 Y HN 0.865 nan 8.280 nan 0.000 0.462 190 Y N -1.038 119.290 120.300 0.046 0.000 3.078 190 Y HA -0.232 4.318 4.550 -0.000 0.000 0.202 190 Y C 0.747 176.654 175.900 0.012 0.000 1.322 190 Y CA 1.072 59.147 58.100 -0.042 0.000 1.118 190 Y CB -1.741 36.739 38.460 0.033 0.000 1.343 190 Y HN 0.465 nan 8.280 nan 0.000 0.499 191 F N -3.960 116.088 119.950 0.164 0.000 2.699 191 F HA -0.406 4.121 4.527 -0.000 0.000 0.343 191 F C 1.170 177.081 175.800 0.185 0.000 0.633 191 F CA 0.619 58.725 58.000 0.177 0.000 1.365 191 F CB -1.972 37.108 39.000 0.133 0.000 1.795 191 F HN 0.202 nan 8.300 nan 0.000 0.304 192 L N 0.027 121.430 121.223 0.300 0.000 2.005 192 L HA 0.370 4.709 4.340 -0.000 0.000 0.207 192 L C 1.649 178.731 176.870 0.353 0.000 1.072 192 L CA 2.002 57.024 54.840 0.303 0.000 0.744 192 L CB -0.988 41.240 42.059 0.281 0.000 0.895 192 L HN 0.574 nan 8.230 nan 0.000 0.433 193 G N -0.904 108.068 108.800 0.286 0.000 2.640 193 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 193 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 193 G C -1.394 173.689 174.900 0.304 0.000 1.229 193 G CA -0.463 44.813 45.100 0.293 0.000 0.796 193 G HN 0.433 nan 8.290 nan 0.000 0.654 194 L N -0.994 120.326 121.223 0.161 0.000 2.403 194 L HA 1.023 5.362 4.340 -0.000 0.000 0.253 194 L C -0.961 175.954 176.870 0.074 0.000 1.045 194 L CA -1.501 53.419 54.840 0.134 0.000 0.845 194 L CB 1.610 43.469 42.059 -0.333 0.000 1.447 194 L HN 0.711 nan 8.230 nan 0.000 0.411 195 L N 1.423 122.654 121.223 0.013 0.000 2.346 195 L HA 0.950 5.290 4.340 -0.000 0.000 0.274 195 L C -0.259 176.528 176.870 -0.139 0.000 1.007 195 L CA -0.267 54.510 54.840 -0.105 0.000 0.818 195 L CB 1.885 43.903 42.059 -0.069 0.000 1.284 195 L HN 0.999 nan 8.230 nan 0.000 0.424 196 A N 3.352 126.135 122.820 -0.061 0.000 2.330 196 A HA 0.762 5.082 4.320 -0.000 0.000 0.313 196 A C -1.049 176.590 177.584 0.092 0.000 1.124 196 A CA -0.524 51.523 52.037 0.015 0.000 0.774 196 A CB 1.187 20.150 19.000 -0.062 0.000 1.198 196 A HN 0.664 nan 8.150 nan 0.000 0.465 197 Q N 1.356 121.241 119.800 0.141 0.000 2.377 197 Q HA 0.870 5.210 4.340 -0.000 0.000 0.271 197 Q C -0.874 175.118 176.000 -0.013 0.000 1.077 197 Q CA -0.877 54.946 55.803 0.034 0.000 0.820 197 Q CB 2.367 31.114 28.738 0.015 0.000 1.347 197 Q HN 1.509 nan 8.270 nan 0.000 0.444 198 A N 1.963 124.688 122.820 -0.159 0.000 2.594 198 A HA 0.645 4.965 4.320 -0.000 0.000 0.296 198 A C -2.974 174.446 177.584 -0.274 0.000 1.061 198 A CA -1.314 50.579 52.037 -0.239 0.000 0.689 198 A CB 1.611 20.337 19.000 -0.456 0.000 1.280 198 A HN 0.595 nan 8.150 nan 0.000 0.406 199 P HA 0.263 nan 4.420 nan 0.000 0.271 199 P C 1.098 178.275 177.300 -0.206 0.000 1.216 199 P CA -0.122 62.857 63.100 -0.202 0.000 0.771 199 P CB 0.855 32.483 31.700 -0.120 0.000 0.864 200 V N 3.425 123.194 119.914 -0.242 0.000 2.324 200 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 200 V C 2.402 178.562 176.094 0.110 0.000 1.060 200 V CA 2.790 65.027 62.300 -0.105 0.000 1.042 200 V CB -1.611 30.140 31.823 -0.121 0.000 0.650 200 V HN 0.664 nan 8.190 nan 0.000 0.450 201 A N -0.120 122.750 122.820 0.082 0.000 1.908 201 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 201 A C 1.958 179.621 177.584 0.131 0.000 1.181 201 A CA 2.247 54.369 52.037 0.141 0.000 0.627 201 A CB -0.584 18.468 19.000 0.087 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 D N -0.471 119.958 120.400 0.049 0.000 2.234 202 D HA 0.020 4.659 4.640 -0.000 0.000 0.205 202 D C 1.822 178.153 176.300 0.053 0.000 0.962 202 D CA 0.533 54.560 54.000 0.045 0.000 0.855 202 D CB -0.235 40.568 40.800 0.005 0.000 0.951 202 D HN 0.526 nan 8.370 nan 0.000 0.500 203 I N 0.039 120.592 120.570 -0.028 0.000 2.142 203 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 203 I C 2.014 178.135 176.117 0.006 0.000 1.078 203 I CA 0.921 62.180 61.300 -0.068 0.000 1.343 203 I CB -0.218 37.599 38.000 -0.305 0.000 1.046 203 I HN -0.105 nan 8.210 nan 0.000 0.405 204 F N 1.295 121.262 119.950 0.027 0.000 2.126 204 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 204 F C 2.953 178.791 175.800 0.064 0.000 1.096 204 F CA 1.925 59.955 58.000 0.050 0.000 1.255 204 F CB -0.624 38.402 39.000 0.044 0.000 0.997 204 F HN 0.140 nan 8.300 nan 0.000 0.479 205 S N -1.432 114.410 115.700 0.236 0.000 2.461 205 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 205 S C 1.767 176.425 174.600 0.096 0.000 1.005 205 S CA 0.749 59.036 58.200 0.146 0.000 0.942 205 S CB -0.712 62.554 63.200 0.110 0.000 0.776 205 S HN 0.338 nan 8.310 nan 0.000 0.514 206 S N -0.653 115.113 115.700 0.110 0.000 2.556 206 S HA 0.249 4.719 4.470 -0.000 0.000 0.216 206 S C 0.038 174.557 174.600 -0.135 0.000 0.970 206 S CA -0.787 57.467 58.200 0.090 0.000 0.912 206 S CB -0.645 62.703 63.200 0.247 0.000 0.790 206 S HN 0.596 nan 8.310 nan 0.000 0.504 207 Y N 2.877 122.984 120.300 -0.321 0.000 2.313 207 Y HA 0.662 5.212 4.550 -0.000 0.000 0.332 207 Y C -0.102 175.519 175.900 -0.466 0.000 1.071 207 Y CA -0.873 56.803 58.100 -0.707 0.000 1.169 207 Y CB 0.607 38.740 38.460 -0.544 0.000 1.192 207 Y HN -0.008 nan 8.280 nan 0.000 0.487 208 R N 6.412 126.078 120.500 -1.390 0.000 2.686 208 R HA 0.406 4.746 4.340 -0.000 0.000 0.283 208 R C -2.988 172.523 176.300 -1.316 0.000 0.978 208 R CA -2.503 52.978 56.100 -1.033 0.000 0.897 208 R CB 1.464 31.460 30.300 -0.507 0.000 1.192 208 R HN 0.546 nan 8.270 nan 0.000 0.457 209 P HA 0.142 nan 4.420 nan 0.000 0.271 209 P C 0.634 177.784 177.300 -0.250 0.000 1.216 209 P CA 0.418 63.277 63.100 -0.401 0.000 0.771 209 P CB 0.711 32.360 31.700 -0.086 0.000 0.864 210 G N 2.529 111.249 108.800 -0.133 0.000 2.213 210 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.236 210 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.236 210 G C 0.861 175.745 174.900 -0.026 0.000 0.991 210 G CA 0.078 45.148 45.100 -0.050 0.000 0.629 210 G HN 0.436 nan 8.290 nan 0.000 0.517 211 I N 0.617 121.139 120.570 -0.081 0.000 2.277 211 I HA 0.081 4.251 4.170 -0.000 0.000 0.243 211 I C 2.707 178.933 176.117 0.183 0.000 1.094 211 I CA 2.138 63.446 61.300 0.013 0.000 1.393 211 I CB -1.017 36.950 38.000 -0.055 0.000 1.078 211 I HN 0.508 nan 8.210 nan 0.000 0.417 212 L N -1.552 119.862 121.223 0.319 0.000 3.417 212 L HA -0.290 4.050 4.340 -0.000 0.000 0.368 212 L C 0.508 177.568 176.870 0.317 0.000 0.810 212 L CA 1.056 56.154 54.840 0.431 0.000 3.108 212 L CB -1.330 40.976 42.059 0.412 0.000 0.687 212 L HN 0.132 nan 8.230 nan 0.000 0.756 213 L N 0.397 121.769 121.223 0.247 0.000 2.301 213 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 213 L C -0.509 176.387 176.870 0.044 0.000 1.022 213 L CA -0.403 54.431 54.840 -0.010 0.000 0.854 213 L CB 0.940 43.004 42.059 0.009 0.000 1.226 213 L HN 0.320 nan 8.230 nan 0.000 0.429 214 W N 2.563 123.736 121.300 -0.212 0.000 2.992 214 W HA 0.539 5.199 4.660 -0.000 0.000 0.342 214 W C -0.993 175.366 176.519 -0.267 0.000 1.176 214 W CA -0.894 56.318 57.345 -0.222 0.000 1.118 214 W CB 0.668 30.075 29.460 -0.090 0.000 1.457 214 W HN 0.161 nan 8.180 nan 0.000 0.573 215 H N 1.049 120.218 119.070 0.164 0.000 2.489 215 H HA 0.462 5.018 4.556 -0.000 0.000 0.322 215 H C -0.691 174.735 175.328 0.164 0.000 1.091 215 H CA -0.678 55.404 56.048 0.056 0.000 1.291 215 H CB 2.006 31.806 29.762 0.063 0.000 1.436 215 H HN 0.320 nan 8.280 nan 0.000 0.480 216 V N 3.624 123.655 119.914 0.195 0.000 2.257 216 V HA -0.013 4.107 4.120 -0.000 0.000 0.269 216 V C 1.467 177.632 176.094 0.118 0.000 1.040 216 V CA -0.297 62.114 62.300 0.186 0.000 0.813 216 V CB 0.738 32.664 31.823 0.172 0.000 1.065 216 V HN 0.888 nan 8.190 nan 0.000 0.457 217 S N 2.769 118.532 115.700 0.105 0.000 2.400 217 S HA -0.179 4.291 4.470 -0.000 0.000 0.232 217 S C 1.815 176.435 174.600 0.033 0.000 1.025 217 S CA 1.571 59.803 58.200 0.053 0.000 0.993 217 S CB -0.319 62.902 63.200 0.035 0.000 0.808 217 S HN 0.864 nan 8.310 nan 0.000 0.478 218 S N 1.272 116.988 115.700 0.026 0.000 2.603 218 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 218 S C 0.765 175.362 174.600 -0.005 0.000 0.967 218 S CA -0.317 57.883 58.200 0.001 0.000 0.920 218 S CB -0.690 62.502 63.200 -0.014 0.000 0.773 218 S HN 0.874 nan 8.310 nan 0.000 0.529 219 Q N 1.187 120.999 119.800 0.020 0.000 2.417 219 Q HA 0.540 4.880 4.340 -0.000 0.000 0.241 219 Q C -0.530 175.503 176.000 0.055 0.000 1.008 219 Q CA -0.415 55.412 55.803 0.040 0.000 0.901 219 Q CB 0.678 29.480 28.738 0.107 0.000 1.259 219 Q HN 0.126 nan 8.270 nan 0.000 0.489 220 S N 2.000 117.753 115.700 0.088 0.000 2.668 220 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 220 S C -1.678 173.068 174.600 0.242 0.000 1.170 220 S CA -0.746 57.539 58.200 0.141 0.000 0.994 220 S CB 0.846 64.097 63.200 0.084 0.000 1.051 220 S HN 0.521 nan 8.310 nan 0.000 0.484 221 L N 3.880 125.187 121.223 0.139 0.000 2.334 221 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 221 L C 0.916 177.553 176.870 -0.388 0.000 1.013 221 L CA -0.155 54.660 54.840 -0.043 0.000 0.816 221 L CB 1.899 43.947 42.059 -0.017 0.000 1.278 221 L HN 0.856 nan 8.230 nan 0.000 0.431 222 S N 0.827 116.032 115.700 -0.824 0.000 2.633 222 S HA 0.559 5.029 4.470 -0.000 0.000 0.257 222 S C -0.248 174.009 174.600 -0.572 0.000 1.265 222 S CA -0.324 57.202 58.200 -1.123 0.000 0.980 222 S CB 0.221 62.950 63.200 -0.786 0.000 1.017 222 S HN 0.203 nan 8.310 nan 0.000 0.577 223 F N -0.309 119.664 119.950 0.037 0.000 2.507 223 F HA 0.484 5.010 4.527 -0.000 0.000 0.327 223 F C 0.612 176.078 175.800 -0.556 0.000 1.068 223 F CA -1.137 56.816 58.000 -0.079 0.000 0.965 223 F CB 0.886 39.856 39.000 -0.050 0.000 1.192 223 F HN 0.507 nan 8.300 nan 0.000 0.476 224 D N 0.528 120.194 120.400 -1.222 0.000 2.344 224 D HA 0.372 5.012 4.640 -0.000 0.000 0.244 224 D C -0.799 175.085 176.300 -0.694 0.000 1.134 224 D CA 0.317 53.495 54.000 -1.370 0.000 0.930 224 D CB 1.557 41.054 40.800 -2.171 0.000 1.175 224 D HN 0.454 nan 8.370 nan 0.000 0.437 225 S N -0.609 114.826 115.700 -0.441 0.000 2.564 225 S HA 0.403 4.872 4.470 -0.000 0.000 0.274 225 S C 0.034 174.603 174.600 -0.052 0.000 1.124 225 S CA -0.367 57.671 58.200 -0.270 0.000 0.869 225 S CB 1.071 64.059 63.200 -0.354 0.000 1.105 225 S HN 0.385 nan 8.310 nan 0.000 0.472 226 S N 2.163 117.849 115.700 -0.025 0.000 2.554 226 S HA 0.221 4.691 4.470 -0.000 0.000 0.226 226 S C 0.193 174.796 174.600 0.005 0.000 0.980 226 S CA -0.374 57.895 58.200 0.115 0.000 0.939 226 S CB -0.378 62.849 63.200 0.044 0.000 0.832 226 S HN 0.588 nan 8.310 nan 0.000 0.486 227 N N 3.433 122.069 118.700 -0.107 0.000 2.405 227 N HA 0.274 5.014 4.740 -0.000 0.000 0.260 227 N C -2.071 173.044 175.510 -0.658 0.000 1.152 227 N CA -2.000 50.928 53.050 -0.203 0.000 0.948 227 N CB 1.266 39.756 38.487 0.005 0.000 1.111 227 N HN 0.008 nan 8.380 nan 0.000 0.485 228 P HA -0.083 nan 4.420 nan 0.000 0.225 228 P C 0.522 177.032 177.300 -1.317 0.000 1.148 228 P CA 1.051 63.153 63.100 -1.662 0.000 0.779 228 P CB 0.319 31.606 31.700 -0.688 0.000 0.780 229 E N -1.522 118.179 120.200 -0.830 0.000 2.160 229 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 229 E C 1.221 177.085 176.600 -1.228 0.000 0.991 229 E CA 1.108 56.879 56.400 -1.049 0.000 0.810 229 E CB -0.487 28.720 29.700 -0.822 0.000 0.742 229 E HN 0.433 nan 8.360 nan 0.000 0.466 230 Y N -0.509 119.420 120.300 -0.618 0.000 2.523 230 Y HA 0.077 4.627 4.550 -0.000 0.000 0.279 230 Y C 0.547 176.398 175.900 -0.081 0.000 1.139 230 Y CA -0.099 57.876 58.100 -0.208 0.000 1.296 230 Y CB 0.127 38.576 38.460 -0.019 0.000 1.045 230 Y HN -0.103 nan 8.280 nan 0.000 0.538 231 F N 2.334 122.127 119.950 -0.262 0.000 2.578 231 F HA -0.076 4.451 4.527 -0.000 0.000 0.376 231 F C 0.637 176.258 175.800 -0.299 0.000 1.085 231 F CA -0.112 57.749 58.000 -0.233 0.000 1.260 231 F CB 0.315 39.133 39.000 -0.304 0.000 1.095 231 F HN 0.287 nan 8.300 nan 0.000 0.573 232 D N 1.944 122.349 120.400 0.008 0.000 2.911 232 D HA -0.177 4.463 4.640 -0.000 0.000 0.227 232 D C 1.282 177.273 176.300 -0.514 0.000 1.164 232 D CA 0.808 54.651 54.000 -0.262 0.000 0.782 232 D CB -1.373 39.259 40.800 -0.280 0.000 1.094 232 D HN 0.870 nan 8.370 nan 0.000 0.425 233 G N -0.439 108.249 108.800 -0.187 0.000 2.650 233 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 233 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 233 G C 0.485 175.437 174.900 0.086 0.000 1.136 233 G CA 0.036 45.114 45.100 -0.038 0.000 0.789 233 G HN 0.348 nan 8.290 nan 0.000 0.536 234 Y N -2.419 118.027 120.300 0.243 0.000 3.168 234 Y HA -0.165 4.385 4.550 -0.000 0.000 0.207 234 Y C 0.485 176.534 175.900 0.248 0.000 1.280 234 Y CA -0.585 57.648 58.100 0.221 0.000 1.235 234 Y CB -2.509 36.085 38.460 0.223 0.000 1.370 234 Y HN 0.453 nan 8.280 nan 0.000 0.537 235 W N 1.832 123.272 121.300 0.234 0.000 2.692 235 W HA 0.426 5.085 4.660 -0.000 0.000 0.339 235 W C 1.126 177.707 176.519 0.105 0.000 1.415 235 W CA 1.544 58.995 57.345 0.175 0.000 1.389 235 W CB 0.191 29.789 29.460 0.229 0.000 1.492 235 W HN 0.652 nan 8.180 nan 0.000 0.545 236 G N 4.027 112.726 108.800 -0.167 0.000 2.175 236 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.182 236 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.182 236 G C 0.513 175.387 174.900 -0.044 0.000 1.003 236 G CA 0.027 45.015 45.100 -0.186 0.000 0.666 236 G HN 0.608 nan 8.290 nan 0.000 0.506 237 Y N 2.220 122.465 120.300 -0.092 0.000 2.207 237 Y HA 0.137 4.687 4.550 -0.000 0.000 0.287 237 Y C 1.740 177.703 175.900 0.105 0.000 1.156 237 Y CA 2.467 60.564 58.100 -0.005 0.000 1.182 237 Y CB 0.203 38.704 38.460 0.068 0.000 0.979 237 Y HN 0.692 nan 8.280 nan 0.000 0.521 238 S N -1.102 114.690 115.700 0.153 0.000 2.569 238 S HA 0.656 5.126 4.470 -0.000 0.000 0.280 238 S C -1.330 173.215 174.600 -0.091 0.000 1.111 238 S CA -0.644 57.568 58.200 0.020 0.000 0.887 238 S CB 1.978 65.181 63.200 0.007 0.000 1.095 238 S HN 0.053 nan 8.310 nan 0.000 0.476 239 V N 0.368 120.219 119.914 -0.106 0.000 3.012 239 V HA 0.959 5.079 4.120 -0.000 0.000 0.307 239 V C -0.878 175.154 176.094 -0.104 0.000 1.166 239 V CA 0.135 62.349 62.300 -0.143 0.000 0.974 239 V CB 1.736 33.454 31.823 -0.176 0.000 1.040 239 V HN 1.830 nan 8.190 nan 0.000 0.428 240 A N 3.865 126.635 122.820 -0.083 0.000 2.599 240 A HA 0.949 5.269 4.320 -0.000 0.000 0.290 240 A C -1.148 176.451 177.584 0.025 0.000 1.101 240 A CA 0.032 52.049 52.037 -0.034 0.000 0.674 240 A CB 1.795 20.786 19.000 -0.015 0.000 1.277 240 A HN 2.095 nan 8.150 nan 0.000 0.419 241 V N -2.151 117.796 119.914 0.054 0.000 3.102 241 V HA 1.077 5.197 4.120 -0.000 0.000 0.312 241 V C 0.091 176.228 176.094 0.071 0.000 1.135 241 V CA 0.144 62.526 62.300 0.137 0.000 1.022 241 V CB 1.291 33.201 31.823 0.144 0.000 1.056 241 V HN 2.542 nan 8.190 nan 0.000 0.436 242 G N 1.173 110.033 108.800 0.100 0.000 2.340 242 G HA2 0.522 4.482 3.960 -0.000 0.000 0.299 242 G HA3 0.522 4.482 3.960 -0.000 0.000 0.299 242 G C -1.932 172.951 174.900 -0.028 0.000 1.291 242 G CA -0.262 44.749 45.100 -0.148 0.000 0.841 242 G HN 1.141 nan 8.290 nan 0.000 0.500 243 E N -0.390 119.708 120.200 -0.169 0.000 2.145 243 E HA 0.716 5.066 4.350 -0.000 0.000 0.262 243 E C -0.999 175.412 176.600 -0.315 0.000 0.883 243 E CA -0.734 55.634 56.400 -0.052 0.000 0.748 243 E CB 0.782 30.531 29.700 0.082 0.000 1.140 243 E HN 0.279 nan 8.360 nan 0.000 0.417 244 F N 2.019 122.043 119.950 0.124 0.000 2.856 244 F HA 0.187 4.714 4.527 -0.000 0.000 0.338 244 F C 0.725 176.606 175.800 0.136 0.000 1.100 244 F CA -0.261 57.826 58.000 0.145 0.000 1.150 244 F CB 0.980 40.076 39.000 0.160 0.000 1.101 244 F HN 0.440 nan 8.300 nan 0.000 0.548 245 D N -1.268 119.256 120.400 0.207 0.000 2.513 245 D HA 0.277 4.917 4.640 -0.000 0.000 0.222 245 D C 1.733 178.087 176.300 0.091 0.000 1.210 245 D CA 0.572 54.655 54.000 0.138 0.000 0.825 245 D CB 0.235 41.083 40.800 0.080 0.000 1.037 245 D HN 0.238 nan 8.370 nan 0.000 0.506 246 G N 0.897 109.744 108.800 0.078 0.000 2.396 246 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 246 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 246 G C 0.102 175.022 174.900 0.033 0.000 1.069 246 G CA 0.288 45.418 45.100 0.050 0.000 0.633 246 G HN 0.590 nan 8.290 nan 0.000 0.517 247 D N 1.262 121.682 120.400 0.034 0.000 2.344 247 D HA 0.431 5.070 4.640 -0.000 0.000 0.253 247 D C 1.802 178.116 176.300 0.023 0.000 1.255 247 D CA -0.255 53.759 54.000 0.025 0.000 0.894 247 D CB 0.192 41.006 40.800 0.023 0.000 1.067 247 D HN 0.254 nan 8.370 nan 0.000 0.492 248 L N 3.532 124.767 121.223 0.018 0.000 2.362 248 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 248 L C 1.929 178.812 176.870 0.021 0.000 1.134 248 L CA 0.419 55.270 54.840 0.019 0.000 0.807 248 L CB -0.345 41.722 42.059 0.013 0.000 0.927 248 L HN 0.388 nan 8.230 nan 0.000 0.447 249 N N -0.381 118.330 118.700 0.019 0.000 2.331 249 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 249 N C 0.672 176.191 175.510 0.016 0.000 1.019 249 N CA 1.049 54.110 53.050 0.019 0.000 0.881 249 N CB 0.170 38.668 38.487 0.019 0.000 0.972 249 N HN 0.335 nan 8.380 nan 0.000 0.435 250 T N -3.260 111.302 114.554 0.013 0.000 2.925 250 T HA 0.565 4.915 4.350 -0.000 0.000 0.285 250 T C -0.270 174.421 174.700 -0.015 0.000 1.021 250 T CA -0.821 61.276 62.100 -0.004 0.000 1.042 250 T CB 1.780 70.649 68.868 0.003 0.000 1.037 250 T HN -0.128 nan 8.240 nan 0.000 0.481 251 T N 2.286 116.801 114.554 -0.066 0.000 2.807 251 T HA 0.543 4.893 4.350 -0.000 0.000 0.279 251 T C -0.673 173.904 174.700 -0.204 0.000 0.993 251 T CA -0.651 61.411 62.100 -0.062 0.000 0.970 251 T CB 1.502 70.371 68.868 0.002 0.000 0.950 251 T HN 0.649 nan 8.240 nan 0.000 0.441 252 E N 1.554 121.722 120.200 -0.054 0.000 2.242 252 E HA 0.508 4.858 4.350 -0.000 0.000 0.275 252 E C -1.076 175.579 176.600 0.091 0.000 1.002 252 E CA -0.520 55.850 56.400 -0.050 0.000 0.841 252 E CB 0.675 30.492 29.700 0.195 0.000 1.109 252 E HN 0.435 nan 8.360 nan 0.000 0.394 253 Y N 0.212 120.549 120.300 0.062 0.000 2.409 253 Y HA 0.467 5.017 4.550 -0.000 0.000 0.339 253 Y C -0.202 175.687 175.900 -0.018 0.000 1.033 253 Y CA -1.426 56.688 58.100 0.024 0.000 1.094 253 Y CB 1.100 39.574 38.460 0.025 0.000 1.210 253 Y HN 0.138 nan 8.280 nan 0.000 0.456 254 V N 4.140 124.117 119.914 0.104 0.000 2.370 254 V HA 0.531 4.651 4.120 -0.000 0.000 0.283 254 V C -0.366 175.650 176.094 -0.129 0.000 1.023 254 V CA -0.867 61.403 62.300 -0.049 0.000 0.857 254 V CB 1.281 33.058 31.823 -0.076 0.000 0.985 254 V HN 0.519 nan 8.190 nan 0.000 0.443 255 V N 3.481 123.262 119.914 -0.221 0.000 2.495 255 V HA 0.730 4.850 4.120 -0.000 0.000 0.298 255 V C 0.722 176.599 176.094 -0.361 0.000 1.031 255 V CA -0.426 61.616 62.300 -0.431 0.000 0.871 255 V CB 1.950 33.198 31.823 -0.958 0.000 0.988 255 V HN 0.950 nan 8.190 nan 0.000 0.432 256 G N 2.727 111.354 108.800 -0.289 0.000 2.325 256 G HA2 0.590 4.550 3.960 -0.000 0.000 0.298 256 G HA3 0.590 4.550 3.960 -0.000 0.000 0.298 256 G C -0.150 174.681 174.900 -0.115 0.000 1.134 256 G CA -0.108 44.888 45.100 -0.173 0.000 0.876 256 G HN 1.138 nan 8.290 nan 0.000 0.452 257 A N 5.013 127.816 122.820 -0.028 0.000 2.978 257 A HA 0.646 4.966 4.320 -0.000 0.000 0.341 257 A C -1.348 176.281 177.584 0.075 0.000 1.105 257 A CA -1.248 50.867 52.037 0.131 0.000 0.819 257 A CB 1.377 20.581 19.000 0.340 0.000 1.080 257 A HN 0.454 nan 8.150 nan 0.000 0.476 258 P HA -0.100 nan 4.420 nan 0.000 0.225 258 P C 0.977 178.057 177.300 -0.367 0.000 1.148 258 P CA 1.688 64.574 63.100 -0.357 0.000 0.779 258 P CB 0.006 31.133 31.700 -0.955 0.000 0.780 259 T N -7.067 107.360 114.554 -0.211 0.000 3.182 259 T HA 0.136 4.486 4.350 -0.000 0.000 0.277 259 T C -0.006 174.649 174.700 -0.074 0.000 1.013 259 T CA -0.788 61.218 62.100 -0.156 0.000 0.900 259 T CB -0.897 67.833 68.868 -0.230 0.000 1.098 259 T HN -0.045 nan 8.240 nan 0.000 0.543 260 W N 2.547 123.755 121.300 -0.154 0.000 2.209 260 W HA 0.377 5.037 4.660 -0.000 0.000 0.344 260 W C 0.758 177.178 176.519 -0.165 0.000 1.285 260 W CA 1.112 58.350 57.345 -0.179 0.000 1.267 260 W CB 0.278 29.654 29.460 -0.140 0.000 1.167 260 W HN 0.327 nan 8.180 nan 0.000 0.574 261 S N 6.585 121.614 115.700 -1.118 0.000 3.436 261 S HA -0.247 4.223 4.470 -0.000 0.000 0.393 261 S C 0.036 174.572 174.600 -0.108 0.000 0.914 261 S CA 0.862 58.549 58.200 -0.855 0.000 1.317 261 S CB -1.507 61.066 63.200 -1.044 0.000 0.920 261 S HN 0.963 nan 8.310 nan 0.000 0.564 262 W N 0.136 121.258 121.300 -0.296 0.000 5.563 262 W HA -0.337 4.323 4.660 -0.000 0.000 0.396 262 W C 1.277 177.739 176.519 -0.095 0.000 1.519 262 W CA 1.335 58.582 57.345 -0.162 0.000 0.953 262 W CB -3.034 26.337 29.460 -0.148 0.000 2.691 262 W HN 1.793 nan 8.180 nan 0.000 1.444 263 T N -4.532 110.041 114.554 0.032 0.000 6.157 263 T HA -0.381 3.969 4.350 -0.000 0.000 0.281 263 T C 0.794 175.554 174.700 0.099 0.000 2.039 263 T CA 1.457 63.593 62.100 0.060 0.000 3.312 263 T CB -1.638 67.292 68.868 0.103 0.000 1.589 263 T HN 0.384 nan 8.240 nan 0.000 1.129 264 L N 1.671 122.960 121.223 0.110 0.000 2.093 264 L HA 0.480 4.820 4.340 -0.000 0.000 0.208 264 L C 1.569 178.529 176.870 0.149 0.000 1.085 264 L CA 2.825 57.740 54.840 0.125 0.000 0.755 264 L CB -0.940 41.199 42.059 0.133 0.000 0.904 264 L HN 1.677 nan 8.230 nan 0.000 0.435 265 G N -1.321 107.610 108.800 0.217 0.000 2.705 265 G HA2 0.369 4.329 3.960 -0.000 0.000 0.686 265 G HA3 0.369 4.329 3.960 -0.000 0.000 0.686 265 G C -0.607 174.477 174.900 0.308 0.000 1.285 265 G CA -0.280 44.970 45.100 0.250 0.000 0.800 265 G HN 1.187 nan 8.290 nan 0.000 0.611 266 A N -0.125 122.864 122.820 0.282 0.000 2.608 266 A HA 0.949 5.269 4.320 -0.000 0.000 0.292 266 A C -0.791 176.818 177.584 0.043 0.000 1.066 266 A CA 0.098 52.179 52.037 0.073 0.000 0.676 266 A CB 1.870 20.536 19.000 -0.556 0.000 1.277 266 A HN 2.160 nan 8.150 nan 0.000 0.413 267 V N 1.001 120.918 119.914 0.005 0.000 2.656 267 V HA 0.572 4.692 4.120 -0.000 0.000 0.307 267 V C -0.442 175.564 176.094 -0.146 0.000 1.051 267 V CA -0.438 61.792 62.300 -0.118 0.000 0.893 267 V CB 1.865 33.576 31.823 -0.187 0.000 0.999 267 V HN 0.927 nan 8.190 nan 0.000 0.426 268 E N 3.655 123.789 120.200 -0.110 0.000 2.222 268 E HA 0.595 4.945 4.350 -0.000 0.000 0.267 268 E C -1.307 175.262 176.600 -0.052 0.000 0.884 268 E CA -0.682 55.698 56.400 -0.033 0.000 0.764 268 E CB 2.834 32.641 29.700 0.177 0.000 1.169 268 E HN 0.533 nan 8.360 nan 0.000 0.413 269 I N 4.396 124.926 120.570 -0.066 0.000 2.312 269 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 269 I C -0.618 175.478 176.117 -0.035 0.000 1.008 269 I CA -0.324 60.913 61.300 -0.104 0.000 1.226 269 I CB 0.443 38.335 38.000 -0.181 0.000 1.371 269 I HN 0.238 nan 8.210 nan 0.000 0.468 270 L N 5.156 126.403 121.223 0.040 0.000 2.323 270 L HA 0.524 4.864 4.340 -0.000 0.000 0.265 270 L C -0.306 176.551 176.870 -0.023 0.000 1.012 270 L CA -1.044 53.847 54.840 0.085 0.000 0.820 270 L CB 1.565 43.790 42.059 0.276 0.000 1.334 270 L HN 0.533 nan 8.230 nan 0.000 0.427 271 D N -0.821 119.559 120.400 -0.033 0.000 2.433 271 D HA 0.072 4.712 4.640 -0.000 0.000 0.255 271 D C 0.864 176.973 176.300 -0.319 0.000 1.226 271 D CA -0.317 53.606 54.000 -0.129 0.000 1.015 271 D CB 0.778 41.575 40.800 -0.005 0.000 1.091 271 D HN 0.513 nan 8.370 nan 0.000 0.527 272 S N -1.553 113.880 115.700 -0.445 0.000 2.555 272 S HA -0.110 4.359 4.470 -0.000 0.000 0.230 272 S C 1.203 175.431 174.600 -0.620 0.000 0.978 272 S CA 0.173 57.948 58.200 -0.709 0.000 0.934 272 S CB -0.744 62.108 63.200 -0.580 0.000 0.766 272 S HN 0.511 nan 8.310 nan 0.000 0.533 273 Y N 0.187 120.320 120.300 -0.279 0.000 2.466 273 Y HA 0.284 4.834 4.550 -0.000 0.000 0.272 273 Y C -0.169 175.778 175.900 0.079 0.000 1.169 273 Y CA -0.874 57.154 58.100 -0.121 0.000 1.285 273 Y CB -0.686 37.786 38.460 0.020 0.000 1.078 273 Y HN 0.173 nan 8.280 nan 0.000 0.523 274 Y N -1.365 119.109 120.300 0.290 0.000 4.366 274 Y HA -0.294 4.256 4.550 -0.000 0.000 0.236 274 Y C 0.152 176.253 175.900 0.335 0.000 1.142 274 Y CA -0.457 57.842 58.100 0.332 0.000 2.024 274 Y CB -2.601 36.038 38.460 0.298 0.000 1.621 274 Y HN 0.250 nan 8.280 nan 0.000 0.694 275 Q N 0.818 120.819 119.800 0.335 0.000 2.261 275 Q HA 0.403 4.743 4.340 -0.000 0.000 0.252 275 Q C 0.328 176.417 176.000 0.149 0.000 0.915 275 Q CA -0.821 55.107 55.803 0.208 0.000 0.915 275 Q CB 0.995 29.802 28.738 0.114 0.000 1.204 275 Q HN 0.256 nan 8.270 nan 0.000 0.421 276 R N 2.275 122.848 120.500 0.122 0.000 2.449 276 R HA 0.056 4.396 4.340 -0.000 0.000 0.296 276 R C 0.839 177.128 176.300 -0.018 0.000 1.047 276 R CA 0.159 56.308 56.100 0.081 0.000 1.018 276 R CB 0.491 30.846 30.300 0.090 0.000 0.962 276 R HN 0.598 nan 8.270 nan 0.000 0.428 277 L N 1.953 123.107 121.223 -0.115 0.000 2.269 277 L HA 0.143 4.482 4.340 -0.000 0.000 0.200 277 L C 0.271 176.859 176.870 -0.470 0.000 1.069 277 L CA 0.640 55.276 54.840 -0.341 0.000 0.804 277 L CB 0.068 41.834 42.059 -0.488 0.000 0.987 277 L HN 0.652 nan 8.230 nan 0.000 0.468 278 H N -1.389 117.663 119.070 -0.031 0.000 2.961 278 H HA 0.553 5.108 4.556 -0.000 0.000 0.371 278 H C -1.004 174.265 175.328 -0.098 0.000 1.190 278 H CA -0.808 55.197 56.048 -0.071 0.000 1.138 278 H CB 2.202 31.892 29.762 -0.120 0.000 1.816 278 H HN -0.150 nan 8.280 nan 0.000 0.551 279 R N 2.185 122.690 120.500 0.009 0.000 2.532 279 R HA 0.431 4.771 4.340 -0.000 0.000 0.297 279 R C -1.743 174.460 176.300 -0.161 0.000 0.984 279 R CA -0.731 55.297 56.100 -0.119 0.000 0.884 279 R CB 1.056 31.245 30.300 -0.184 0.000 1.182 279 R HN 0.558 nan 8.270 nan 0.000 0.442 280 L N 5.143 126.244 121.223 -0.204 0.000 2.280 280 L HA 0.548 4.888 4.340 -0.000 0.000 0.287 280 L C 0.201 176.967 176.870 -0.174 0.000 1.023 280 L CA -0.762 53.952 54.840 -0.209 0.000 0.819 280 L CB 1.533 43.404 42.059 -0.313 0.000 1.212 280 L HN 0.489 nan 8.230 nan 0.000 0.420 281 R N 1.492 121.842 120.500 -0.250 0.000 2.459 281 R HA 0.467 4.807 4.340 -0.000 0.000 0.281 281 R C 0.463 176.316 176.300 -0.746 0.000 1.050 281 R CA -0.557 55.364 56.100 -0.300 0.000 1.055 281 R CB 1.110 31.338 30.300 -0.119 0.000 1.045 281 R HN 0.767 nan 8.270 nan 0.000 0.495 282 G N 0.280 108.610 108.800 -0.783 0.000 2.594 282 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.243 282 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.243 282 G C 0.230 174.830 174.900 -0.500 0.000 1.229 282 G CA -0.318 44.117 45.100 -1.107 0.000 0.843 282 G HN 0.806 nan 8.290 nan 0.000 0.578 283 E N -0.620 119.370 120.200 -0.351 0.000 2.190 283 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 283 E C 0.801 177.472 176.600 0.117 0.000 0.978 283 E CA 0.393 56.773 56.400 -0.033 0.000 0.839 283 E CB 0.161 29.946 29.700 0.142 0.000 0.787 283 E HN 0.546 nan 8.360 nan 0.000 0.473 284 Q N 0.426 120.334 119.800 0.181 0.000 2.284 284 Q HA 0.252 4.592 4.340 -0.000 0.000 0.269 284 Q C -1.269 174.835 176.000 0.173 0.000 1.026 284 Q CA -0.535 55.388 55.803 0.199 0.000 0.831 284 Q CB 1.543 30.454 28.738 0.288 0.000 1.322 284 Q HN 0.031 nan 8.270 nan 0.000 0.419 285 M N 2.527 122.201 119.600 0.124 0.000 2.249 285 M HA 0.198 4.678 4.480 -0.000 0.000 0.340 285 M C 0.952 177.344 176.300 0.153 0.000 1.166 285 M CA 1.573 56.949 55.300 0.126 0.000 1.115 285 M CB 0.592 33.249 32.600 0.096 0.000 1.606 285 M HN 1.025 nan 8.290 nan 0.000 0.448 286 A N 0.739 123.668 122.820 0.182 0.000 3.153 286 A HA -0.211 4.109 4.320 -0.000 0.000 0.265 286 A C 1.503 179.266 177.584 0.299 0.000 1.212 286 A CA 1.374 53.552 52.037 0.235 0.000 1.018 286 A CB -2.584 16.524 19.000 0.180 0.000 1.130 286 A HN 1.028 nan 8.150 nan 0.000 0.873 287 S N -2.501 113.382 115.700 0.306 0.000 2.515 287 S HA 0.117 4.587 4.470 -0.000 0.000 0.231 287 S C 0.747 175.618 174.600 0.451 0.000 0.987 287 S CA 1.176 59.602 58.200 0.376 0.000 0.936 287 S CB -0.459 63.021 63.200 0.466 0.000 0.766 287 S HN 1.661 nan 8.310 nan 0.000 0.528 288 Y N -0.137 120.299 120.300 0.226 0.000 3.689 288 Y HA -0.230 4.320 4.550 -0.000 0.000 0.221 288 Y C 0.046 176.082 175.900 0.227 0.000 1.247 288 Y CA -0.017 58.194 58.100 0.186 0.000 1.671 288 Y CB -2.534 36.003 38.460 0.127 0.000 1.521 288 Y HN 0.560 nan 8.280 nan 0.000 0.632 289 F N 1.278 121.310 119.950 0.135 0.000 2.546 289 F HA 0.344 4.871 4.527 -0.000 0.000 0.388 289 F C 1.244 177.048 175.800 0.006 0.000 1.051 289 F CA 1.719 59.767 58.000 0.081 0.000 1.130 289 F CB 0.104 39.106 39.000 0.003 0.000 1.044 289 F HN 0.375 nan 8.300 nan 0.000 0.553 290 G N 4.220 112.838 108.800 -0.304 0.000 2.205 290 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.180 290 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.180 290 G C 1.255 176.130 174.900 -0.041 0.000 1.004 290 G CA 0.131 45.096 45.100 -0.225 0.000 0.670 290 G HN 0.753 nan 8.290 nan 0.000 0.496 291 H N 0.743 119.808 119.070 -0.010 0.000 2.387 291 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 291 H C 0.377 175.781 175.328 0.126 0.000 1.099 291 H CA 2.095 58.231 56.048 0.147 0.000 1.315 291 H CB 0.273 30.182 29.762 0.245 0.000 1.380 291 H HN 0.365 nan 8.280 nan 0.000 0.513 292 S N 0.112 115.881 115.700 0.113 0.000 2.541 292 S HA 0.471 4.941 4.470 -0.000 0.000 0.280 292 S C -0.914 173.655 174.600 -0.052 0.000 1.112 292 S CA -0.522 57.686 58.200 0.014 0.000 0.925 292 S CB 2.766 66.001 63.200 0.059 0.000 1.067 292 S HN 0.284 nan 8.310 nan 0.000 0.479 293 V N -0.422 119.454 119.914 -0.063 0.000 2.709 293 V HA 1.054 5.174 4.120 -0.000 0.000 0.308 293 V C -0.505 175.571 176.094 -0.030 0.000 1.062 293 V CA -0.951 61.309 62.300 -0.066 0.000 0.901 293 V CB 1.128 32.895 31.823 -0.094 0.000 1.003 293 V HN 1.073 nan 8.190 nan 0.000 0.425 294 A N 3.240 126.063 122.820 0.004 0.000 2.449 294 A HA 0.926 5.246 4.320 -0.000 0.000 0.302 294 A C -1.110 176.522 177.584 0.080 0.000 1.048 294 A CA -0.725 51.330 52.037 0.030 0.000 0.708 294 A CB 2.238 21.253 19.000 0.026 0.000 1.274 294 A HN 1.383 nan 8.150 nan 0.000 0.410 295 V N 1.417 121.380 119.914 0.081 0.000 2.444 295 V HA 0.849 4.969 4.120 -0.000 0.000 0.294 295 V C -0.063 176.087 176.094 0.094 0.000 1.022 295 V CA -0.063 62.306 62.300 0.115 0.000 0.850 295 V CB 1.424 33.285 31.823 0.063 0.000 0.992 295 V HN 1.160 nan 8.190 nan 0.000 0.426 296 T N 2.262 116.925 114.554 0.182 0.000 3.087 296 T HA 0.250 4.600 4.350 -0.000 0.000 0.351 296 T C -1.863 172.971 174.700 0.222 0.000 1.520 296 T CA -0.596 61.641 62.100 0.229 0.000 1.111 296 T CB 1.664 70.619 68.868 0.145 0.000 1.353 296 T HN 0.766 nan 8.240 nan 0.000 0.481 297 D N 2.762 123.271 120.400 0.182 0.000 2.338 297 D HA 0.299 4.939 4.640 -0.000 0.000 0.255 297 D C 1.476 177.839 176.300 0.106 0.000 1.237 297 D CA 0.069 54.120 54.000 0.084 0.000 0.883 297 D CB 0.903 41.681 40.800 -0.038 0.000 1.087 297 D HN 0.431 nan 8.370 nan 0.000 0.485 298 V N 1.922 121.908 119.914 0.119 0.000 3.431 298 V HA 0.119 4.239 4.120 -0.000 0.000 0.253 298 V C 1.182 177.369 176.094 0.156 0.000 1.184 298 V CA 0.511 62.888 62.300 0.129 0.000 1.104 298 V CB -0.353 31.526 31.823 0.093 0.000 0.799 298 V HN 0.570 nan 8.190 nan 0.000 0.462 299 N N 1.129 119.915 118.700 0.143 0.000 2.235 299 N HA 0.215 4.955 4.740 -0.000 0.000 0.209 299 N C 1.414 177.120 175.510 0.327 0.000 1.122 299 N CA 0.589 53.731 53.050 0.155 0.000 0.845 299 N CB 0.422 38.946 38.487 0.062 0.000 1.004 299 N HN 0.875 nan 8.380 nan 0.000 0.499 300 G N 1.857 110.832 108.800 0.292 0.000 2.168 300 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 300 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 300 G C 0.322 175.253 174.900 0.052 0.000 0.997 300 G CA 0.604 45.786 45.100 0.138 0.000 0.708 300 G HN 0.642 nan 8.290 nan 0.000 0.520 301 D N -0.424 120.008 120.400 0.054 0.000 2.339 301 D HA 0.332 4.972 4.640 -0.000 0.000 0.217 301 D C 1.760 178.045 176.300 -0.024 0.000 1.050 301 D CA 0.595 54.606 54.000 0.018 0.000 0.856 301 D CB -0.549 40.269 40.800 0.030 0.000 0.922 301 D HN 1.528 nan 8.370 nan 0.000 0.518 302 G N 0.718 109.486 108.800 -0.052 0.000 2.159 302 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.256 302 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.256 302 G C 0.091 174.894 174.900 -0.160 0.000 0.977 302 G CA -0.162 44.873 45.100 -0.108 0.000 0.652 302 G HN 0.417 nan 8.290 nan 0.000 0.531 303 R N 0.132 120.560 120.500 -0.120 0.000 2.343 303 R HA 0.409 4.749 4.340 -0.000 0.000 0.320 303 R C -0.278 175.945 176.300 -0.130 0.000 0.956 303 R CA -0.819 55.204 56.100 -0.128 0.000 0.836 303 R CB 0.768 31.049 30.300 -0.031 0.000 1.151 303 R HN 0.508 nan 8.270 nan 0.000 0.450 304 H N 1.554 120.512 119.070 -0.187 0.000 3.034 304 H HA -0.027 4.529 4.556 -0.000 0.000 0.324 304 H C -0.092 175.187 175.328 -0.081 0.000 1.015 304 H CA 0.553 56.467 56.048 -0.223 0.000 1.429 304 H CB 0.573 30.024 29.762 -0.518 0.000 1.429 304 H HN 0.370 nan 8.280 nan 0.000 0.585 305 D N 2.060 122.597 120.400 0.228 0.000 2.387 305 D HA 0.242 4.882 4.640 -0.000 0.000 0.255 305 D C -0.461 176.078 176.300 0.399 0.000 1.081 305 D CA -0.654 53.529 54.000 0.304 0.000 0.994 305 D CB 2.002 42.926 40.800 0.207 0.000 1.127 305 D HN 0.128 nan 8.370 nan 0.000 0.513 306 L N 0.621 122.082 121.223 0.397 0.000 2.365 306 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 306 L C -1.613 175.439 176.870 0.304 0.000 1.000 306 L CA -0.503 54.532 54.840 0.325 0.000 0.819 306 L CB 1.322 43.489 42.059 0.180 0.000 1.284 306 L HN 0.267 nan 8.230 nan 0.000 0.418 307 L N 5.606 126.948 121.223 0.199 0.000 2.356 307 L HA 0.718 5.058 4.340 -0.000 0.000 0.277 307 L C -0.961 175.969 176.870 0.100 0.000 0.996 307 L CA -0.686 54.250 54.840 0.160 0.000 0.822 307 L CB 2.076 44.183 42.059 0.080 0.000 1.256 307 L HN 0.337 nan 8.230 nan 0.000 0.413 308 V N 1.636 121.630 119.914 0.132 0.000 2.604 308 V HA 0.724 4.843 4.120 -0.000 0.000 0.305 308 V C 0.335 176.441 176.094 0.021 0.000 1.043 308 V CA -0.572 61.689 62.300 -0.065 0.000 0.888 308 V CB 1.923 33.517 31.823 -0.382 0.000 0.995 308 V HN 0.819 nan 8.190 nan 0.000 0.429 309 G N 2.323 111.099 108.800 -0.041 0.000 2.379 309 G HA2 0.653 4.612 3.960 -0.000 0.000 0.327 309 G HA3 0.653 4.612 3.960 -0.000 0.000 0.327 309 G C -0.454 174.523 174.900 0.130 0.000 1.145 309 G CA -0.309 44.833 45.100 0.070 0.000 0.905 309 G HN 1.133 nan 8.290 nan 0.000 0.466 310 A N 4.193 127.188 122.820 0.291 0.000 2.842 310 A HA 0.665 4.985 4.320 -0.000 0.000 0.339 310 A C -1.516 176.275 177.584 0.346 0.000 1.177 310 A CA -1.291 50.979 52.037 0.388 0.000 0.797 310 A CB 1.485 20.860 19.000 0.626 0.000 1.094 310 A HN 0.436 nan 8.150 nan 0.000 0.474 311 P HA -0.052 nan 4.420 nan 0.000 0.230 311 P C 0.634 178.069 177.300 0.224 0.000 1.158 311 P CA 0.792 64.001 63.100 0.180 0.000 0.769 311 P CB 0.231 31.926 31.700 -0.009 0.000 0.807 312 L N -1.943 119.434 121.223 0.257 0.000 2.818 312 L HA 0.240 4.580 4.340 -0.000 0.000 0.243 312 L C 0.689 177.718 176.870 0.265 0.000 1.185 312 L CA -0.881 54.102 54.840 0.237 0.000 0.988 312 L CB -0.609 41.569 42.059 0.198 0.000 1.292 312 L HN -0.107 nan 8.230 nan 0.000 0.519 313 Y N 2.381 122.808 120.300 0.212 0.000 2.650 313 Y HA 0.074 4.623 4.550 -0.000 0.000 0.331 313 Y C 0.418 176.399 175.900 0.135 0.000 1.165 313 Y CA 0.210 58.428 58.100 0.196 0.000 1.473 313 Y CB 0.361 38.956 38.460 0.226 0.000 1.224 313 Y HN 0.074 nan 8.280 nan 0.000 0.533 314 M N 6.692 125.986 119.600 -0.510 0.000 2.113 314 M HA 0.191 4.670 4.480 -0.000 0.000 0.352 314 M C -0.267 175.621 176.300 -0.687 0.000 1.170 314 M CA -0.130 54.923 55.300 -0.412 0.000 1.053 314 M CB 1.060 33.527 32.600 -0.221 0.000 1.601 314 M HN 0.677 nan 8.290 nan 0.000 0.459 315 E N 1.765 121.778 120.200 -0.311 0.000 2.313 315 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 315 E C -0.754 175.795 176.600 -0.085 0.000 1.038 315 E CA -0.342 55.988 56.400 -0.116 0.000 0.863 315 E CB 1.187 30.918 29.700 0.053 0.000 1.060 315 E HN 0.592 nan 8.360 nan 0.000 0.402 316 S N 2.679 118.363 115.700 -0.027 0.000 2.564 316 S HA 0.345 4.814 4.470 -0.000 0.000 0.278 316 S C -0.115 174.478 174.600 -0.011 0.000 1.333 316 S CA -0.278 57.911 58.200 -0.019 0.000 1.048 316 S CB 0.729 63.933 63.200 0.007 0.000 0.900 316 S HN 0.419 nan 8.310 nan 0.000 0.505 317 R N 0.178 120.668 120.500 -0.017 0.000 2.810 317 R HA 0.617 4.957 4.340 -0.000 0.000 0.266 317 R C -0.794 175.499 176.300 -0.012 0.000 1.061 317 R CA -1.094 54.997 56.100 -0.015 0.000 0.943 317 R CB 1.022 31.308 30.300 -0.023 0.000 1.237 317 R HN 0.658 nan 8.270 nan 0.000 0.459 318 A N 1.053 123.866 122.820 -0.010 0.000 2.561 318 A HA 0.088 4.408 4.320 -0.000 0.000 0.234 318 A C -0.376 177.203 177.584 -0.008 0.000 1.055 318 A CA 0.759 52.791 52.037 -0.008 0.000 0.756 318 A CB -0.339 18.657 19.000 -0.007 0.000 0.986 318 A HN 0.787 nan 8.150 nan 0.000 0.505 319 D N 0.309 120.706 120.400 -0.006 0.000 2.716 319 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 319 D C 0.541 176.838 176.300 -0.006 0.000 1.125 319 D CA 1.533 55.530 54.000 -0.005 0.000 0.681 319 D CB -1.187 39.610 40.800 -0.005 0.000 1.070 319 D HN 0.831 nan 8.370 nan 0.000 0.432 320 R N -2.462 118.034 120.500 -0.007 0.000 4.000 320 R HA -0.258 4.082 4.340 -0.000 0.000 0.362 320 R C -0.055 176.238 176.300 -0.012 0.000 1.183 320 R CA 1.312 57.407 56.100 -0.008 0.000 1.011 320 R CB -1.304 28.993 30.300 -0.005 0.000 1.501 320 R HN 0.369 nan 8.270 nan 0.000 0.553 321 K N 1.230 121.621 120.400 -0.015 0.000 2.172 321 K HA 0.396 4.716 4.320 -0.000 0.000 0.276 321 K C 0.219 176.800 176.600 -0.032 0.000 1.013 321 K CA -0.365 55.910 56.287 -0.020 0.000 0.913 321 K CB 1.005 33.494 32.500 -0.019 0.000 1.055 321 K HN -0.018 nan 8.250 nan 0.000 0.461 322 L N 1.444 122.643 121.223 -0.039 0.000 2.375 322 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 322 L C -0.252 176.575 176.870 -0.071 0.000 1.058 322 L CA -0.687 54.116 54.840 -0.063 0.000 0.803 322 L CB 1.669 43.687 42.059 -0.068 0.000 1.212 322 L HN 0.684 nan 8.230 nan 0.000 0.451 323 A N 1.480 124.243 122.820 -0.095 0.000 2.530 323 A HA 0.278 4.598 4.320 -0.000 0.000 0.279 323 A C -0.633 176.885 177.584 -0.110 0.000 1.109 323 A CA -0.521 51.448 52.037 -0.113 0.000 0.763 323 A CB 0.888 19.827 19.000 -0.101 0.000 1.257 323 A HN 0.711 nan 8.150 nan 0.000 0.424 324 E N 2.035 122.170 120.200 -0.108 0.000 2.383 324 E HA 0.220 4.570 4.350 -0.000 0.000 0.257 324 E C 0.628 177.225 176.600 -0.006 0.000 1.079 324 E CA 0.650 57.037 56.400 -0.020 0.000 0.934 324 E CB 0.459 30.214 29.700 0.091 0.000 0.978 324 E HN 0.849 nan 8.360 nan 0.000 0.462 325 V N 1.288 121.251 119.914 0.082 0.000 3.408 325 V HA 0.442 4.562 4.120 -0.000 0.000 0.263 325 V C 0.617 176.851 176.094 0.233 0.000 1.503 325 V CA 0.360 62.732 62.300 0.119 0.000 1.046 325 V CB -0.009 31.850 31.823 0.060 0.000 0.851 325 V HN 0.827 nan 8.190 nan 0.000 0.435 326 G N 0.776 109.759 108.800 0.305 0.000 2.692 326 G HA2 0.051 4.011 3.960 -0.000 0.000 0.686 326 G HA3 0.051 4.011 3.960 -0.000 0.000 0.686 326 G C -0.717 174.425 174.900 0.404 0.000 1.243 326 G CA -0.105 45.227 45.100 0.387 0.000 0.782 326 G HN 0.877 nan 8.290 nan 0.000 0.625 327 R N -0.577 120.141 120.500 0.363 0.000 2.707 327 R HA 0.724 5.064 4.340 -0.000 0.000 0.272 327 R C -1.285 175.091 176.300 0.126 0.000 1.011 327 R CA -0.822 55.358 56.100 0.133 0.000 0.893 327 R CB 2.194 32.275 30.300 -0.364 0.000 1.233 327 R HN 0.850 nan 8.270 nan 0.000 0.464 328 V N 3.443 123.365 119.914 0.014 0.000 2.604 328 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 328 V C -1.417 174.546 176.094 -0.217 0.000 1.043 328 V CA -0.660 61.636 62.300 -0.005 0.000 0.888 328 V CB 1.821 33.633 31.823 -0.018 0.000 0.995 328 V HN 0.631 nan 8.190 nan 0.000 0.429 329 Y N 4.313 124.610 120.300 -0.004 0.000 2.328 329 Y HA 0.639 5.189 4.550 -0.000 0.000 0.337 329 Y C -0.217 175.583 175.900 -0.168 0.000 0.966 329 Y CA -0.843 57.196 58.100 -0.102 0.000 1.136 329 Y CB 1.709 40.230 38.460 0.101 0.000 1.170 329 Y HN 0.499 nan 8.280 nan 0.000 0.470 330 L N 4.778 125.879 121.223 -0.203 0.000 2.275 330 L HA 0.604 4.943 4.340 -0.000 0.000 0.288 330 L C -1.708 174.960 176.870 -0.336 0.000 1.046 330 L CA -0.601 54.156 54.840 -0.138 0.000 0.805 330 L CB 0.021 42.014 42.059 -0.110 0.000 1.193 330 L HN 0.410 nan 8.230 nan 0.000 0.426 331 F N 5.932 125.938 119.950 0.094 0.000 2.434 331 F HA 0.458 4.984 4.527 -0.000 0.000 0.355 331 F C -0.280 175.580 175.800 0.100 0.000 1.115 331 F CA -0.570 57.482 58.000 0.087 0.000 1.010 331 F CB 1.083 40.128 39.000 0.075 0.000 1.234 331 F HN 0.247 nan 8.300 nan 0.000 0.439 332 L N 3.090 124.431 121.223 0.198 0.000 2.371 332 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 332 L C 0.277 177.255 176.870 0.179 0.000 1.124 332 L CA -0.388 54.549 54.840 0.161 0.000 0.816 332 L CB 0.949 43.060 42.059 0.088 0.000 1.129 332 L HN 0.588 nan 8.230 nan 0.000 0.448 333 Q N 5.032 124.940 119.800 0.179 0.000 2.294 333 Q HA 0.315 4.655 4.340 -0.000 0.000 0.257 333 Q C -2.241 173.824 176.000 0.108 0.000 0.955 333 Q CA -1.741 54.168 55.803 0.177 0.000 0.936 333 Q CB 1.456 30.317 28.738 0.206 0.000 1.188 333 Q HN 0.308 nan 8.270 nan 0.000 0.420 334 P HA 0.157 nan 4.420 nan 0.000 0.289 334 P C -0.993 176.339 177.300 0.053 0.000 1.299 334 P CA -0.414 62.711 63.100 0.042 0.000 0.766 334 P CB 0.869 32.572 31.700 0.004 0.000 1.226 335 R N -1.051 119.455 120.500 0.010 0.000 2.532 335 R HA 0.504 4.844 4.340 -0.000 0.000 0.272 335 R C 0.479 176.858 176.300 0.133 0.000 1.032 335 R CA 0.626 56.752 56.100 0.044 0.000 1.089 335 R CB -0.051 30.256 30.300 0.012 0.000 1.098 335 R HN 0.857 nan 8.270 nan 0.000 0.526 336 G N 2.801 111.697 108.800 0.159 0.000 2.750 336 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.228 336 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.228 336 G C -2.334 172.711 174.900 0.241 0.000 1.367 336 G CA -0.397 44.837 45.100 0.225 0.000 0.871 336 G HN 0.584 nan 8.290 nan 0.000 0.560 337 P HA 0.283 nan 4.420 nan 0.000 0.237 337 P C -0.541 176.676 177.300 -0.138 0.000 1.788 337 P CA 0.478 63.586 63.100 0.014 0.000 1.061 337 P CB -0.466 31.207 31.700 -0.045 0.000 1.967 338 H N 0.282 119.406 119.070 0.091 0.000 2.690 338 H HA 0.626 5.182 4.556 -0.000 0.000 0.368 338 H C 0.217 175.603 175.328 0.098 0.000 1.150 338 H CA -0.615 55.482 56.048 0.082 0.000 1.174 338 H CB 1.874 31.670 29.762 0.057 0.000 1.684 338 H HN 0.255 nan 8.280 nan 0.000 0.538 339 A N 2.004 124.925 122.820 0.168 0.000 2.280 339 A HA 0.412 4.732 4.320 -0.000 0.000 0.268 339 A C -0.560 176.931 177.584 -0.155 0.000 1.111 339 A CA -0.475 51.538 52.037 -0.041 0.000 0.814 339 A CB 0.217 19.230 19.000 0.021 0.000 1.093 339 A HN 0.509 nan 8.150 nan 0.000 0.498 340 L N 0.775 121.728 121.223 -0.451 0.000 2.426 340 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 340 L C 1.229 178.068 176.870 -0.052 0.000 1.169 340 L CA 1.222 55.951 54.840 -0.184 0.000 0.836 340 L CB 0.632 42.535 42.059 -0.260 0.000 1.112 340 L HN 0.880 nan 8.230 nan 0.000 0.465 341 G N 1.155 110.005 108.800 0.085 0.000 2.773 341 G HA2 0.658 4.618 3.960 -0.000 0.000 0.186 341 G HA3 0.658 4.618 3.960 -0.000 0.000 0.186 341 G C -0.507 174.529 174.900 0.226 0.000 1.411 341 G CA -0.074 45.095 45.100 0.114 0.000 1.054 341 G HN 0.852 nan 8.290 nan 0.000 0.579 342 A N -0.126 122.798 122.820 0.173 0.000 2.313 342 A HA 0.631 4.951 4.320 -0.000 0.000 0.261 342 A C -2.193 175.449 177.584 0.096 0.000 1.090 342 A CA -0.790 51.356 52.037 0.182 0.000 0.807 342 A CB -0.293 18.761 19.000 0.089 0.000 1.055 342 A HN 0.389 nan 8.150 nan 0.000 0.492 343 P HA 0.149 nan 4.420 nan 0.000 0.268 343 P C 0.390 177.556 177.300 -0.223 0.000 1.204 343 P CA 0.184 62.990 63.100 -0.491 0.000 0.768 343 P CB 0.798 32.244 31.700 -0.424 0.000 0.842 344 S N 1.479 117.055 115.700 -0.207 0.000 2.436 344 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 344 S C 0.525 175.053 174.600 -0.121 0.000 1.014 344 S CA 0.655 58.791 58.200 -0.108 0.000 0.950 344 S CB -0.280 62.884 63.200 -0.061 0.000 0.784 344 S HN 0.372 nan 8.310 nan 0.000 0.504 345 L N 0.647 121.765 121.223 -0.174 0.000 2.513 345 L HA 0.483 4.823 4.340 -0.000 0.000 0.261 345 L C -2.035 174.700 176.870 -0.225 0.000 0.945 345 L CA -0.400 54.341 54.840 -0.165 0.000 0.848 345 L CB 1.496 43.471 42.059 -0.140 0.000 1.334 345 L HN -0.007 nan 8.230 nan 0.000 0.407 346 L N 5.692 126.778 121.223 -0.227 0.000 2.298 346 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 346 L C -0.923 175.785 176.870 -0.270 0.000 1.013 346 L CA -0.574 54.071 54.840 -0.325 0.000 0.824 346 L CB 1.466 43.320 42.059 -0.341 0.000 1.221 346 L HN 0.473 nan 8.230 nan 0.000 0.418 347 L N 3.666 124.728 121.223 -0.269 0.000 2.262 347 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 347 L C -0.102 176.634 176.870 -0.223 0.000 1.035 347 L CA -0.168 54.547 54.840 -0.207 0.000 0.820 347 L CB 1.464 43.426 42.059 -0.162 0.000 1.204 347 L HN 0.568 nan 8.230 nan 0.000 0.424 348 T N 1.690 116.040 114.554 -0.340 0.000 2.794 348 T HA 0.444 4.794 4.350 -0.000 0.000 0.280 348 T C 0.613 174.941 174.700 -0.619 0.000 0.987 348 T CA -0.540 61.360 62.100 -0.332 0.000 0.993 348 T CB 1.751 70.526 68.868 -0.155 0.000 0.939 348 T HN 0.681 nan 8.240 nan 0.000 0.449 349 G N 1.040 109.454 108.800 -0.643 0.000 2.667 349 G HA2 0.360 4.319 3.960 -0.000 0.000 0.250 349 G HA3 0.360 4.319 3.960 -0.000 0.000 0.250 349 G C 0.977 175.746 174.900 -0.217 0.000 1.212 349 G CA 0.071 44.828 45.100 -0.572 0.000 0.874 349 G HN 0.807 nan 8.290 nan 0.000 0.561 350 T N -3.118 111.365 114.554 -0.118 0.000 2.964 350 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 350 T C 0.869 175.564 174.700 -0.009 0.000 1.000 350 T CA 0.033 62.100 62.100 -0.055 0.000 0.992 350 T CB 0.185 69.024 68.868 -0.048 0.000 1.087 350 T HN 0.421 nan 8.240 nan 0.000 0.489 351 Q N 1.749 121.569 119.800 0.034 0.000 2.267 351 Q HA 0.530 4.870 4.340 -0.000 0.000 0.255 351 Q C -0.593 175.429 176.000 0.036 0.000 0.923 351 Q CA -0.874 54.960 55.803 0.052 0.000 0.925 351 Q CB 0.903 29.704 28.738 0.106 0.000 1.195 351 Q HN 0.426 nan 8.270 nan 0.000 0.417 352 L N 5.415 126.616 121.223 -0.037 0.000 2.525 352 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 352 L C -0.595 176.226 176.870 -0.082 0.000 1.218 352 L CA 0.919 55.640 54.840 -0.198 0.000 0.878 352 L CB -0.280 41.570 42.059 -0.349 0.000 1.127 352 L HN 0.811 nan 8.230 nan 0.000 0.492 353 Y N 1.759 122.111 120.300 0.085 0.000 4.324 353 Y HA -0.254 4.296 4.550 -0.000 0.000 0.224 353 Y C 1.690 177.689 175.900 0.165 0.000 1.113 353 Y CA 0.931 59.085 58.100 0.090 0.000 1.887 353 Y CB -2.261 36.221 38.460 0.036 0.000 1.602 353 Y HN 0.706 nan 8.280 nan 0.000 0.654 354 G N -0.107 108.869 108.800 0.292 0.000 2.448 354 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 354 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 354 G C 0.913 176.031 174.900 0.363 0.000 1.135 354 G CA 0.401 45.697 45.100 0.326 0.000 0.784 354 G HN 0.488 nan 8.290 nan 0.000 0.543 355 R N -1.456 119.241 120.500 0.328 0.000 3.336 355 R HA -0.189 4.151 4.340 -0.000 0.000 0.260 355 R C -0.198 176.254 176.300 0.253 0.000 1.032 355 R CA 0.188 56.456 56.100 0.281 0.000 0.693 355 R CB -2.464 28.017 30.300 0.301 0.000 1.134 355 R HN 0.381 nan 8.270 nan 0.000 0.433 356 F N 0.966 121.002 119.950 0.143 0.000 2.607 356 F HA 0.217 4.744 4.527 -0.000 0.000 0.374 356 F C 1.612 177.469 175.800 0.096 0.000 1.104 356 F CA 1.871 59.941 58.000 0.116 0.000 1.296 356 F CB 0.646 39.712 39.000 0.111 0.000 1.085 356 F HN 0.410 nan 8.300 nan 0.000 0.584 357 G N 3.210 111.684 108.800 -0.543 0.000 2.143 357 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.249 357 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.249 357 G C 1.080 175.923 174.900 -0.094 0.000 0.981 357 G CA 0.574 45.486 45.100 -0.313 0.000 0.665 357 G HN 0.973 nan 8.290 nan 0.000 0.528 358 S N -0.731 114.919 115.700 -0.084 0.000 2.423 358 S HA 0.512 4.982 4.470 -0.000 0.000 0.231 358 S C 1.231 175.832 174.600 0.003 0.000 1.014 358 S CA 1.918 60.087 58.200 -0.051 0.000 0.965 358 S CB -0.108 63.067 63.200 -0.041 0.000 0.785 358 S HN 1.968 nan 8.310 nan 0.000 0.495 359 A N 0.312 123.073 122.820 -0.099 0.000 2.455 359 A HA 0.732 5.052 4.320 -0.000 0.000 0.300 359 A C -1.251 176.258 177.584 -0.125 0.000 1.040 359 A CA -0.683 51.279 52.037 -0.125 0.000 0.697 359 A CB 1.125 20.014 19.000 -0.185 0.000 1.265 359 A HN 0.364 nan 8.150 nan 0.000 0.407 360 I N 1.724 122.239 120.570 -0.092 0.000 2.468 360 I HA 0.573 4.743 4.170 -0.000 0.000 0.285 360 I C 0.204 176.301 176.117 -0.034 0.000 1.039 360 I CA -0.449 60.810 61.300 -0.068 0.000 1.074 360 I CB 2.027 39.994 38.000 -0.055 0.000 1.228 360 I HN 0.736 nan 8.210 nan 0.000 0.436 361 A N 7.855 130.668 122.820 -0.012 0.000 2.287 361 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 361 A C -2.714 174.898 177.584 0.047 0.000 1.220 361 A CA -1.729 50.317 52.037 0.015 0.000 0.835 361 A CB 0.659 19.668 19.000 0.015 0.000 1.180 361 A HN 0.336 nan 8.150 nan 0.000 0.500 362 P HA 0.179 nan 4.420 nan 0.000 0.267 362 P C 0.309 177.655 177.300 0.077 0.000 1.205 362 P CA 0.093 63.237 63.100 0.073 0.000 0.765 362 P CB 0.593 32.339 31.700 0.076 0.000 0.828 363 L N 1.943 123.212 121.223 0.078 0.000 2.554 363 L HA 0.257 4.597 4.340 -0.000 0.000 0.225 363 L C 1.407 178.309 176.870 0.053 0.000 1.104 363 L CA 0.454 55.337 54.840 0.072 0.000 0.866 363 L CB -0.634 41.469 42.059 0.075 0.000 1.047 363 L HN 0.684 nan 8.230 nan 0.000 0.468 364 G N 0.734 109.566 108.800 0.053 0.000 2.593 364 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.237 364 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.237 364 G C -0.468 174.459 174.900 0.043 0.000 1.312 364 G CA -0.215 44.906 45.100 0.035 0.000 0.896 364 G HN 0.198 nan 8.290 nan 0.000 0.574 365 D N 0.684 121.096 120.400 0.020 0.000 2.468 365 D HA 0.369 5.009 4.640 -0.000 0.000 0.218 365 D C 1.607 177.931 176.300 0.041 0.000 1.155 365 D CA -0.464 53.553 54.000 0.029 0.000 0.924 365 D CB 0.821 41.614 40.800 -0.011 0.000 1.029 365 D HN 0.407 nan 8.370 nan 0.000 0.515 366 L N 3.415 124.686 121.223 0.080 0.000 2.191 366 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 366 L C 1.129 178.117 176.870 0.197 0.000 1.103 366 L CA 1.692 56.605 54.840 0.120 0.000 0.769 366 L CB 0.056 42.174 42.059 0.098 0.000 0.908 366 L HN 0.367 nan 8.230 nan 0.000 0.438 367 D N -2.335 118.159 120.400 0.157 0.000 2.513 367 D HA 0.044 4.684 4.640 -0.000 0.000 0.222 367 D C 0.449 176.830 176.300 0.134 0.000 1.210 367 D CA -0.367 53.753 54.000 0.200 0.000 0.825 367 D CB -0.171 40.712 40.800 0.138 0.000 1.037 367 D HN 0.199 nan 8.370 nan 0.000 0.506 368 R N 1.048 121.567 120.500 0.031 0.000 3.416 368 R HA -0.155 4.185 4.340 -0.000 0.000 0.263 368 R C -0.033 176.256 176.300 -0.017 0.000 1.053 368 R CA 1.089 57.155 56.100 -0.056 0.000 0.705 368 R CB -1.589 28.600 30.300 -0.186 0.000 1.124 368 R HN 0.393 nan 8.270 nan 0.000 0.444 369 D N -1.492 118.920 120.400 0.020 0.000 2.369 369 D HA 0.117 4.757 4.640 -0.000 0.000 0.211 369 D C 1.309 177.577 176.300 -0.053 0.000 1.077 369 D CA 0.833 54.850 54.000 0.029 0.000 0.842 369 D CB 0.474 41.338 40.800 0.106 0.000 0.947 369 D HN 0.401 nan 8.370 nan 0.000 0.509 370 G N -0.587 108.143 108.800 -0.117 0.000 2.307 370 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.210 370 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.210 370 G C -0.262 174.407 174.900 -0.384 0.000 1.005 370 G CA -0.249 44.673 45.100 -0.297 0.000 0.634 370 G HN 0.331 nan 8.290 nan 0.000 0.496 371 Y N 1.909 122.213 120.300 0.006 0.000 2.360 371 Y HA 0.600 5.150 4.550 -0.000 0.000 0.337 371 Y C 0.610 176.523 175.900 0.021 0.000 1.039 371 Y CA -1.151 56.957 58.100 0.014 0.000 1.109 371 Y CB 1.008 39.482 38.460 0.023 0.000 1.201 371 Y HN 0.017 nan 8.280 nan 0.000 0.458 372 N N 2.868 121.673 118.700 0.175 0.000 2.482 372 N HA 0.092 4.832 4.740 -0.000 0.000 0.260 372 N C -0.928 174.664 175.510 0.137 0.000 1.236 372 N CA 0.132 53.256 53.050 0.123 0.000 0.938 372 N CB 0.609 39.156 38.487 0.099 0.000 1.128 372 N HN 0.622 nan 8.380 nan 0.000 0.448 373 D N 0.248 120.716 120.400 0.114 0.000 2.493 373 D HA 0.548 5.188 4.640 -0.000 0.000 0.239 373 D C 0.263 176.633 176.300 0.117 0.000 1.049 373 D CA -0.374 53.699 54.000 0.121 0.000 1.008 373 D CB 1.971 42.837 40.800 0.111 0.000 1.398 373 D HN 0.464 nan 8.370 nan 0.000 0.513 374 I N -3.124 117.532 120.570 0.144 0.000 2.934 374 I HA 0.838 5.008 4.170 -0.000 0.000 0.306 374 I C -1.395 174.824 176.117 0.169 0.000 1.110 374 I CA -1.172 60.210 61.300 0.136 0.000 1.019 374 I CB 2.342 40.411 38.000 0.116 0.000 1.227 374 I HN 0.346 nan 8.210 nan 0.000 0.434 375 A N 4.087 126.977 122.820 0.117 0.000 2.331 375 A HA 0.788 5.108 4.320 -0.000 0.000 0.320 375 A C -0.926 176.699 177.584 0.070 0.000 1.138 375 A CA -0.603 51.494 52.037 0.100 0.000 0.790 375 A CB 1.540 20.555 19.000 0.025 0.000 1.206 375 A HN 0.552 nan 8.150 nan 0.000 0.470 376 V N 1.677 121.656 119.914 0.109 0.000 2.459 376 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 376 V C 0.528 176.549 176.094 -0.122 0.000 1.029 376 V CA -0.389 61.862 62.300 -0.081 0.000 0.874 376 V CB 1.525 33.211 31.823 -0.228 0.000 0.985 376 V HN 1.179 nan 8.190 nan 0.000 0.438 377 A N 3.515 126.219 122.820 -0.193 0.000 2.301 377 A HA 0.859 5.179 4.320 -0.000 0.000 0.312 377 A C 0.197 177.725 177.584 -0.094 0.000 1.182 377 A CA -0.235 51.727 52.037 -0.126 0.000 0.826 377 A CB 1.156 20.071 19.000 -0.142 0.000 1.134 377 A HN 1.398 nan 8.150 nan 0.000 0.501 378 A N 4.122 126.976 122.820 0.057 0.000 2.802 378 A HA 0.651 4.971 4.320 -0.000 0.000 0.344 378 A C -2.126 175.538 177.584 0.134 0.000 1.215 378 A CA -1.349 50.789 52.037 0.169 0.000 0.821 378 A CB 0.355 19.550 19.000 0.325 0.000 1.099 378 A HN 0.471 nan 8.150 nan 0.000 0.479 379 P HA -0.129 nan 4.420 nan 0.000 0.221 379 P C -0.090 176.937 177.300 -0.454 0.000 1.145 379 P CA 1.629 64.612 63.100 -0.194 0.000 0.795 379 P CB -0.061 31.476 31.700 -0.273 0.000 0.775 380 Y N -2.099 118.321 120.300 0.201 0.000 2.715 380 Y HA 0.459 5.009 4.550 -0.000 0.000 0.255 380 Y C 1.468 177.476 175.900 0.179 0.000 1.139 380 Y CA -0.744 57.463 58.100 0.179 0.000 1.151 380 Y CB 0.026 38.583 38.460 0.162 0.000 1.201 380 Y HN -0.180 nan 8.280 nan 0.000 0.556 381 G N -0.228 108.729 108.800 0.262 0.000 2.537 381 G HA2 0.544 4.503 3.960 -0.000 0.000 0.297 381 G HA3 0.544 4.503 3.960 -0.000 0.000 0.297 381 G C 0.252 175.259 174.900 0.179 0.000 1.310 381 G CA -0.088 45.148 45.100 0.227 0.000 1.027 381 G HN 0.571 nan 8.290 nan 0.000 0.505 382 G N -1.264 107.622 108.800 0.144 0.000 2.716 382 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 382 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 382 G C -1.440 173.513 174.900 0.089 0.000 1.337 382 G CA -0.060 45.102 45.100 0.103 0.000 0.829 382 G HN 0.540 nan 8.290 nan 0.000 0.599 383 P HA -0.172 nan 4.420 nan 0.000 0.216 383 P C 2.097 179.434 177.300 0.061 0.000 1.154 383 P CA 2.687 65.819 63.100 0.053 0.000 0.865 383 P CB -0.019 31.703 31.700 0.037 0.000 0.789 384 S N -2.834 112.904 115.700 0.063 0.000 2.501 384 S HA 0.251 4.721 4.470 -0.000 0.000 0.220 384 S C 1.714 176.372 174.600 0.096 0.000 0.997 384 S CA 0.581 58.821 58.200 0.066 0.000 0.919 384 S CB -0.924 62.304 63.200 0.047 0.000 0.778 384 S HN 0.307 nan 8.310 nan 0.000 0.523 385 G N 1.850 110.724 108.800 0.123 0.000 2.157 385 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 385 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 385 G C 0.879 175.899 174.900 0.200 0.000 0.979 385 G CA 0.278 45.487 45.100 0.183 0.000 0.650 385 G HN 0.511 nan 8.290 nan 0.000 0.529 386 R N 0.496 121.077 120.500 0.136 0.000 2.235 386 R HA 0.369 4.709 4.340 -0.000 0.000 0.213 386 R C 1.445 177.822 176.300 0.127 0.000 1.059 386 R CA 0.986 57.155 56.100 0.115 0.000 0.997 386 R CB -0.011 30.320 30.300 0.052 0.000 0.884 386 R HN 1.529 nan 8.270 nan 0.000 0.462 387 G N 0.393 109.286 108.800 0.156 0.000 2.484 387 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.685 387 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.685 387 G C -1.466 173.629 174.900 0.326 0.000 1.294 387 G CA -0.880 44.368 45.100 0.246 0.000 0.879 387 G HN 0.125 nan 8.290 nan 0.000 0.646 388 Q N -1.312 118.738 119.800 0.415 0.000 2.386 388 Q HA 0.601 4.941 4.340 -0.000 0.000 0.274 388 Q C -1.493 174.684 176.000 0.296 0.000 1.011 388 Q CA -0.867 55.152 55.803 0.359 0.000 0.867 388 Q CB 2.846 31.721 28.738 0.227 0.000 1.409 388 Q HN 0.962 nan 8.270 nan 0.000 0.395 389 V N 3.612 123.680 119.914 0.257 0.000 2.483 389 V HA 0.499 4.619 4.120 -0.000 0.000 0.297 389 V C -1.207 174.910 176.094 0.039 0.000 1.027 389 V CA -0.661 61.682 62.300 0.071 0.000 0.855 389 V CB 1.594 33.370 31.823 -0.077 0.000 0.995 389 V HN 0.588 nan 8.190 nan 0.000 0.424 390 L N 5.625 126.882 121.223 0.055 0.000 2.313 390 L HA 0.585 4.925 4.340 -0.000 0.000 0.283 390 L C -0.089 176.669 176.870 -0.187 0.000 1.013 390 L CA -0.259 54.545 54.840 -0.060 0.000 0.816 390 L CB 1.802 43.907 42.059 0.076 0.000 1.236 390 L HN 0.364 nan 8.230 nan 0.000 0.419 391 V N 3.910 123.637 119.914 -0.311 0.000 2.432 391 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 391 V C -0.486 175.346 176.094 -0.437 0.000 1.043 391 V CA -0.206 61.964 62.300 -0.216 0.000 0.925 391 V CB 0.831 32.583 31.823 -0.117 0.000 0.985 391 V HN 0.401 nan 8.190 nan 0.000 0.466 392 F N 4.962 124.935 119.950 0.039 0.000 2.460 392 F HA 0.557 5.084 4.527 -0.000 0.000 0.341 392 F C 0.065 175.886 175.800 0.034 0.000 1.130 392 F CA -0.574 57.449 58.000 0.039 0.000 0.962 392 F CB 1.324 40.352 39.000 0.048 0.000 1.171 392 F HN 0.207 nan 8.300 nan 0.000 0.436 393 L N 2.958 124.275 121.223 0.157 0.000 2.371 393 L HA 0.563 4.903 4.340 -0.000 0.000 0.272 393 L C 0.941 177.868 176.870 0.095 0.000 1.124 393 L CA -0.617 54.292 54.840 0.114 0.000 0.816 393 L CB 0.778 42.884 42.059 0.078 0.000 1.129 393 L HN 0.756 nan 8.230 nan 0.000 0.448 394 G N 1.624 110.478 108.800 0.090 0.000 2.539 394 G HA2 0.516 4.476 3.960 -0.000 0.000 0.258 394 G HA3 0.516 4.476 3.960 -0.000 0.000 0.258 394 G C -0.769 174.004 174.900 -0.211 0.000 1.202 394 G CA -0.229 44.881 45.100 0.016 0.000 0.851 394 G HN 0.739 nan 8.290 nan 0.000 0.556 395 Q N -1.748 117.746 119.800 -0.510 0.000 2.685 395 Q HA 0.460 4.800 4.340 -0.000 0.000 0.301 395 Q C 0.893 176.322 176.000 -0.952 0.000 0.924 395 Q CA -0.206 54.992 55.803 -1.007 0.000 0.755 395 Q CB 0.833 29.316 28.738 -0.425 0.000 1.470 395 Q HN 0.596 nan 8.270 nan 0.000 0.434 396 S N -0.412 114.833 115.700 -0.758 0.000 2.419 396 S HA -0.198 4.272 4.470 -0.000 0.000 0.235 396 S C 0.869 175.400 174.600 -0.114 0.000 1.019 396 S CA 1.732 59.806 58.200 -0.210 0.000 0.982 396 S CB -0.418 62.776 63.200 -0.010 0.000 0.789 396 S HN 0.634 nan 8.310 nan 0.000 0.490 397 E N 0.846 120.962 120.200 -0.141 0.000 2.478 397 E HA 0.387 4.737 4.350 -0.000 0.000 0.194 397 E C 1.327 177.885 176.600 -0.069 0.000 1.045 397 E CA 0.197 56.550 56.400 -0.078 0.000 0.868 397 E CB 0.222 29.881 29.700 -0.068 0.000 0.885 397 E HN 0.690 nan 8.360 nan 0.000 0.505 398 G N 0.851 109.595 108.800 -0.093 0.000 1.844 398 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.177 398 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.177 398 G C -0.826 174.036 174.900 -0.062 0.000 1.010 398 G CA -0.740 44.326 45.100 -0.056 0.000 1.257 398 G HN 0.048 nan 8.290 nan 0.000 0.428 399 L N 1.037 122.233 121.223 -0.045 0.000 2.301 399 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 399 L C 0.380 177.251 176.870 0.002 0.000 1.016 399 L CA -1.253 53.580 54.840 -0.012 0.000 0.821 399 L CB 1.867 43.917 42.059 -0.015 0.000 1.346 399 L HN 0.390 nan 8.230 nan 0.000 0.429 400 R N 0.240 120.782 120.500 0.070 0.000 2.410 400 R HA 0.155 4.495 4.340 -0.000 0.000 0.288 400 R C 0.797 177.188 176.300 0.151 0.000 1.051 400 R CA -0.196 55.956 56.100 0.087 0.000 1.021 400 R CB 1.430 31.789 30.300 0.098 0.000 1.032 400 R HN 0.675 nan 8.270 nan 0.000 0.481 401 S N 2.068 117.822 115.700 0.089 0.000 2.383 401 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 401 S C 0.561 175.289 174.600 0.213 0.000 1.026 401 S CA 0.930 59.187 58.200 0.094 0.000 0.981 401 S CB 0.245 63.460 63.200 0.025 0.000 0.818 401 S HN 0.320 nan 8.310 nan 0.000 0.472 402 R N 2.497 123.089 120.500 0.154 0.000 2.340 402 R HA 0.412 4.752 4.340 -0.000 0.000 0.300 402 R C -2.593 173.753 176.300 0.077 0.000 1.069 402 R CA -2.788 53.378 56.100 0.110 0.000 0.984 402 R CB -0.371 29.953 30.300 0.040 0.000 1.003 402 R HN 0.361 nan 8.270 nan 0.000 0.459 403 P HA 0.035 nan 4.420 nan 0.000 0.272 403 P C 0.368 177.523 177.300 -0.241 0.000 1.223 403 P CA -0.155 62.645 63.100 -0.499 0.000 0.784 403 P CB 0.699 31.989 31.700 -0.684 0.000 0.923 404 S N 0.570 116.131 115.700 -0.232 0.000 2.436 404 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 404 S C 0.678 175.215 174.600 -0.105 0.000 1.014 404 S CA 0.351 58.485 58.200 -0.110 0.000 0.950 404 S CB -0.184 62.978 63.200 -0.062 0.000 0.784 404 S HN 0.693 nan 8.310 nan 0.000 0.504 405 Q N -0.230 119.478 119.800 -0.152 0.000 2.438 405 Q HA 0.523 4.862 4.340 -0.000 0.000 0.272 405 Q C -2.410 173.514 176.000 -0.126 0.000 0.994 405 Q CA -0.598 55.141 55.803 -0.106 0.000 0.887 405 Q CB 2.184 30.878 28.738 -0.073 0.000 1.432 405 Q HN 0.158 nan 8.270 nan 0.000 0.392 406 V N 4.415 124.283 119.914 -0.075 0.000 2.459 406 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 406 V C -0.471 175.613 176.094 -0.016 0.000 1.029 406 V CA -0.622 61.651 62.300 -0.044 0.000 0.874 406 V CB 1.594 33.407 31.823 -0.017 0.000 0.985 406 V HN 0.699 nan 8.190 nan 0.000 0.438 407 L N 4.597 125.822 121.223 0.002 0.000 2.276 407 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 407 L C -0.370 176.562 176.870 0.104 0.000 1.024 407 L CA -0.478 54.376 54.840 0.023 0.000 0.826 407 L CB 1.175 43.175 42.059 -0.098 0.000 1.211 407 L HN 0.552 nan 8.230 nan 0.000 0.422 408 D N 1.612 122.022 120.400 0.017 0.000 2.255 408 D HA 0.064 4.704 4.640 -0.000 0.000 0.249 408 D C 0.168 176.260 176.300 -0.346 0.000 1.078 408 D CA -0.019 53.940 54.000 -0.069 0.000 0.896 408 D CB 1.931 42.702 40.800 -0.047 0.000 1.194 408 D HN 0.313 nan 8.370 nan 0.000 0.429 409 S N 1.897 117.251 115.700 -0.576 0.000 2.537 409 S HA 0.081 4.551 4.470 -0.000 0.000 0.286 409 S C -1.431 172.837 174.600 -0.554 0.000 1.299 409 S CA -0.989 56.579 58.200 -1.054 0.000 1.067 409 S CB 0.600 63.469 63.200 -0.552 0.000 0.864 409 S HN 0.283 nan 8.310 nan 0.000 0.494 410 P HA 0.194 nan 4.420 nan 0.000 0.255 410 P C -0.357 176.614 177.300 -0.548 0.000 1.248 410 P CA 0.113 62.909 63.100 -0.508 0.000 0.807 410 P CB 0.043 31.466 31.700 -0.463 0.000 1.150 411 F N 1.341 121.221 119.950 -0.118 0.000 2.411 411 F HA 0.499 5.026 4.527 -0.000 0.000 0.324 411 F C -1.663 174.100 175.800 -0.063 0.000 1.086 411 F CA -2.765 55.187 58.000 -0.081 0.000 1.028 411 F CB -0.894 38.099 39.000 -0.011 0.000 1.284 411 F HN -0.265 nan 8.300 nan 0.000 0.501 412 P HA 0.162 nan 4.420 nan 0.000 0.277 412 P C -0.602 176.753 177.300 0.091 0.000 1.276 412 P CA -0.487 62.661 63.100 0.081 0.000 0.788 412 P CB 0.188 31.921 31.700 0.055 0.000 1.114 413 T N 0.080 114.678 114.554 0.073 0.000 2.946 413 T HA 0.321 4.670 4.350 -0.000 0.000 0.311 413 T C 1.303 176.058 174.700 0.091 0.000 1.063 413 T CA 1.551 63.706 62.100 0.092 0.000 1.139 413 T CB -0.622 68.293 68.868 0.079 0.000 0.994 413 T HN 0.838 nan 8.240 nan 0.000 0.547 414 G N 1.752 110.635 108.800 0.138 0.000 2.179 414 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 414 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 414 G C 1.249 176.148 174.900 -0.001 0.000 0.977 414 G CA 0.970 46.147 45.100 0.129 0.000 0.641 414 G HN 1.036 nan 8.290 nan 0.000 0.533 415 S N -0.237 115.455 115.700 -0.014 0.000 2.423 415 S HA 0.327 4.797 4.470 -0.000 0.000 0.231 415 S C 2.092 176.523 174.600 -0.282 0.000 1.014 415 S CA 1.755 59.886 58.200 -0.114 0.000 0.965 415 S CB -0.289 62.933 63.200 0.037 0.000 0.785 415 S HN 2.420 nan 8.310 nan 0.000 0.495 416 A N -0.164 122.493 122.820 -0.271 0.000 2.925 416 A HA -0.195 4.125 4.320 -0.000 0.000 0.265 416 A C 0.199 177.714 177.584 -0.116 0.000 1.419 416 A CA 0.584 52.370 52.037 -0.418 0.000 0.807 416 A CB -3.031 15.583 19.000 -0.643 0.000 1.043 416 A HN 1.159 nan 8.150 nan 0.000 0.600 417 F N 0.449 120.342 119.950 -0.096 0.000 2.512 417 F HA 0.319 4.846 4.527 -0.000 0.000 0.406 417 F C 1.446 177.284 175.800 0.064 0.000 0.990 417 F CA 1.757 59.809 58.000 0.086 0.000 1.137 417 F CB -0.214 38.914 39.000 0.213 0.000 0.960 417 F HN 1.632 nan 8.300 nan 0.000 0.533 418 G N 5.077 113.597 108.800 -0.467 0.000 2.195 418 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.224 418 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.224 418 G C 0.811 175.633 174.900 -0.130 0.000 0.990 418 G CA 0.148 45.007 45.100 -0.403 0.000 0.639 418 G HN 0.775 nan 8.290 nan 0.000 0.514 419 F N 2.889 122.750 119.950 -0.148 0.000 2.236 419 F HA 0.151 4.678 4.527 -0.000 0.000 0.302 419 F C 1.531 177.265 175.800 -0.109 0.000 1.073 419 F CA 2.137 60.098 58.000 -0.064 0.000 1.336 419 F CB 0.137 39.174 39.000 0.062 0.000 1.040 419 F HN 0.497 nan 8.300 nan 0.000 0.507 420 S N 0.080 115.753 115.700 -0.044 0.000 2.536 420 S HA 0.735 5.205 4.470 -0.000 0.000 0.287 420 S C -1.051 173.477 174.600 -0.120 0.000 1.101 420 S CA -0.887 57.228 58.200 -0.141 0.000 0.950 420 S CB 2.382 65.529 63.200 -0.088 0.000 1.056 420 S HN 0.118 nan 8.310 nan 0.000 0.481 421 L N 1.092 122.242 121.223 -0.123 0.000 2.415 421 L HA 0.823 5.163 4.340 -0.000 0.000 0.256 421 L C -0.684 176.151 176.870 -0.058 0.000 1.010 421 L CA -0.914 53.874 54.840 -0.087 0.000 0.826 421 L CB 2.509 44.516 42.059 -0.086 0.000 1.405 421 L HN 0.758 nan 8.230 nan 0.000 0.410 422 R N -0.060 120.432 120.500 -0.013 0.000 2.561 422 R HA 0.737 5.077 4.340 -0.000 0.000 0.266 422 R C -1.014 175.454 176.300 0.280 0.000 1.091 422 R CA -0.073 56.066 56.100 0.066 0.000 0.927 422 R CB 2.058 32.312 30.300 -0.077 0.000 1.240 422 R HN 0.791 nan 8.270 nan 0.000 0.449 423 G N 0.545 109.537 108.800 0.320 0.000 3.085 423 G HA2 0.573 4.533 3.960 -0.000 0.000 0.264 423 G HA3 0.573 4.533 3.960 -0.000 0.000 0.264 423 G C -0.484 174.506 174.900 0.150 0.000 1.206 423 G CA -0.086 45.193 45.100 0.297 0.000 0.809 423 G HN 1.346 nan 8.290 nan 0.000 0.592 424 A N -2.417 120.416 122.820 0.022 0.000 2.887 424 A HA 0.038 4.358 4.320 -0.000 0.000 0.257 424 A C 0.087 177.572 177.584 -0.165 0.000 1.372 424 A CA 1.113 53.128 52.037 -0.037 0.000 0.879 424 A CB -2.041 16.972 19.000 0.021 0.000 1.082 424 A HN 1.758 nan 8.150 nan 0.000 0.703 425 V N 0.097 119.787 119.914 -0.374 0.000 2.733 425 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 425 V C -0.606 175.145 176.094 -0.572 0.000 1.084 425 V CA -0.264 61.685 62.300 -0.585 0.000 0.905 425 V CB 2.030 33.207 31.823 -1.077 0.000 1.010 425 V HN 0.474 nan 8.190 nan 0.000 0.424 426 D N 3.353 123.531 120.400 -0.369 0.000 2.441 426 D HA 0.268 4.908 4.640 -0.000 0.000 0.221 426 D C 0.705 176.809 176.300 -0.328 0.000 1.156 426 D CA 0.015 53.849 54.000 -0.277 0.000 0.896 426 D CB 1.091 41.791 40.800 -0.167 0.000 1.028 426 D HN 0.552 nan 8.370 nan 0.000 0.509 427 I N 2.419 122.736 120.570 -0.422 0.000 2.617 427 I HA -0.111 4.059 4.170 -0.000 0.000 0.256 427 I C 0.974 176.670 176.117 -0.703 0.000 1.167 427 I CA 0.794 61.790 61.300 -0.506 0.000 1.469 427 I CB 0.392 38.084 38.000 -0.513 0.000 1.098 427 I HN 0.334 nan 8.210 nan 0.000 0.436 428 D N -1.320 118.721 120.400 -0.598 0.000 2.395 428 D HA -0.039 4.601 4.640 -0.000 0.000 0.213 428 D C 0.471 176.719 176.300 -0.087 0.000 1.110 428 D CA 0.059 53.847 54.000 -0.354 0.000 0.835 428 D CB -0.212 40.477 40.800 -0.184 0.000 0.965 428 D HN 0.216 nan 8.370 nan 0.000 0.505 429 D N 0.962 121.297 120.400 -0.109 0.000 2.800 429 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 429 D C 0.263 176.563 176.300 0.000 0.000 1.137 429 D CA 1.027 55.000 54.000 -0.044 0.000 0.718 429 D CB -1.500 39.293 40.800 -0.012 0.000 1.084 429 D HN 0.453 nan 8.370 nan 0.000 0.432 430 N N -0.126 118.584 118.700 0.018 0.000 2.236 430 N HA 0.208 4.948 4.740 -0.000 0.000 0.196 430 N C 1.624 177.223 175.510 0.147 0.000 1.114 430 N CA 1.104 54.203 53.050 0.081 0.000 0.859 430 N CB 0.397 38.937 38.487 0.087 0.000 0.982 430 N HN 0.539 nan 8.380 nan 0.000 0.493 431 G N -0.726 108.110 108.800 0.061 0.000 2.213 431 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 431 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 431 G C -0.626 174.182 174.900 -0.154 0.000 0.991 431 G CA 0.128 45.203 45.100 -0.043 0.000 0.629 431 G HN 0.369 nan 8.290 nan 0.000 0.517 432 Y N 2.007 122.272 120.300 -0.057 0.000 2.409 432 Y HA 0.586 5.136 4.550 -0.000 0.000 0.339 432 Y C -1.909 173.942 175.900 -0.082 0.000 1.033 432 Y CA -2.439 55.630 58.100 -0.053 0.000 1.094 432 Y CB 1.973 40.414 38.460 -0.032 0.000 1.210 432 Y HN -0.035 nan 8.280 nan 0.000 0.456 433 P HA 0.119 nan 4.420 nan 0.000 0.275 433 P C -0.968 176.332 177.300 -0.000 0.000 1.228 433 P CA -0.114 62.963 63.100 -0.037 0.000 0.786 433 P CB 1.500 33.176 31.700 -0.040 0.000 0.927 434 D N 1.085 121.448 120.400 -0.061 0.000 2.467 434 D HA 0.507 5.147 4.640 -0.000 0.000 0.245 434 D C -0.625 175.763 176.300 0.146 0.000 1.038 434 D CA -0.262 53.755 54.000 0.028 0.000 1.038 434 D CB 1.412 42.196 40.800 -0.028 0.000 1.278 434 D HN 0.165 nan 8.370 nan 0.000 0.564 435 L N 0.997 122.360 121.223 0.235 0.000 2.385 435 L HA 0.507 4.847 4.340 -0.000 0.000 0.273 435 L C -1.028 176.044 176.870 0.337 0.000 0.990 435 L CA -0.691 54.315 54.840 0.276 0.000 0.821 435 L CB 1.322 43.478 42.059 0.161 0.000 1.279 435 L HN 0.381 nan 8.230 nan 0.000 0.412 436 I N 3.400 124.127 120.570 0.263 0.000 2.378 436 I HA 0.757 4.927 4.170 -0.000 0.000 0.291 436 I C -1.132 175.047 176.117 0.104 0.000 0.992 436 I CA -0.858 60.539 61.300 0.162 0.000 1.154 436 I CB 1.813 39.766 38.000 -0.078 0.000 1.315 436 I HN 0.283 nan 8.210 nan 0.000 0.448 437 V N 4.799 124.827 119.914 0.190 0.000 2.555 437 V HA 0.737 4.856 4.120 -0.000 0.000 0.302 437 V C 0.675 176.851 176.094 0.137 0.000 1.038 437 V CA -0.420 61.927 62.300 0.078 0.000 0.887 437 V CB 1.669 33.490 31.823 -0.004 0.000 0.991 437 V HN 0.971 nan 8.190 nan 0.000 0.434 438 G N 2.244 111.070 108.800 0.044 0.000 2.371 438 G HA2 0.643 4.603 3.960 -0.000 0.000 0.326 438 G HA3 0.643 4.603 3.960 -0.000 0.000 0.326 438 G C -0.401 174.561 174.900 0.102 0.000 1.127 438 G CA -0.283 44.873 45.100 0.093 0.000 0.885 438 G HN 1.162 nan 8.290 nan 0.000 0.477 439 A N 2.204 125.065 122.820 0.068 0.000 2.893 439 A HA 0.474 4.794 4.320 -0.000 0.000 0.333 439 A C 0.455 177.982 177.584 -0.095 0.000 1.152 439 A CA -0.677 51.323 52.037 -0.061 0.000 0.782 439 A CB -0.066 18.756 19.000 -0.295 0.000 1.108 439 A HN 1.054 nan 8.150 nan 0.000 0.469 440 Y N 0.216 120.522 120.300 0.011 0.000 2.224 440 Y HA 0.015 4.565 4.550 -0.000 0.000 0.289 440 Y C 1.738 177.659 175.900 0.035 0.000 1.146 440 Y CA 1.661 59.800 58.100 0.065 0.000 1.182 440 Y CB -0.780 37.772 38.460 0.154 0.000 0.983 440 Y HN 0.375 nan 8.280 nan 0.000 0.524 441 G N 0.492 108.959 108.800 -0.554 0.000 2.450 441 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 441 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 441 G C 1.591 176.411 174.900 -0.133 0.000 1.130 441 G CA 0.897 45.810 45.100 -0.311 0.000 0.760 441 G HN 0.702 nan 8.290 nan 0.000 0.557 442 A N 0.054 122.762 122.820 -0.187 0.000 2.308 442 A HA 0.274 4.594 4.320 -0.000 0.000 0.217 442 A C 1.139 178.636 177.584 -0.146 0.000 1.216 442 A CA 0.435 52.355 52.037 -0.195 0.000 0.864 442 A CB -0.134 18.625 19.000 -0.401 0.000 0.902 442 A HN 0.281 nan 8.150 nan 0.000 0.499 443 N N -0.145 118.539 118.700 -0.028 0.000 2.735 443 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 443 N C -0.368 175.223 175.510 0.135 0.000 1.083 443 N CA 1.445 54.553 53.050 0.098 0.000 0.703 443 N CB -1.325 37.178 38.487 0.026 0.000 1.005 443 N HN 0.813 nan 8.380 nan 0.000 0.550 444 Q N -1.057 118.810 119.800 0.111 0.000 2.501 444 Q HA 0.707 5.047 4.340 -0.000 0.000 0.288 444 Q C -0.998 175.173 176.000 0.284 0.000 1.051 444 Q CA -0.818 55.103 55.803 0.196 0.000 0.788 444 Q CB 2.748 31.445 28.738 -0.068 0.000 1.469 444 Q HN 0.015 nan 8.270 nan 0.000 0.416 445 V N 0.713 120.928 119.914 0.502 0.000 2.588 445 V HA 0.747 4.867 4.120 -0.000 0.000 0.304 445 V C -0.996 175.453 176.094 0.591 0.000 1.042 445 V CA -0.700 61.877 62.300 0.463 0.000 0.877 445 V CB 1.667 33.703 31.823 0.355 0.000 0.996 445 V HN 0.828 nan 8.190 nan 0.000 0.425 446 A N 4.423 127.598 122.820 0.592 0.000 2.292 446 A HA 0.825 5.145 4.320 -0.000 0.000 0.319 446 A C -0.678 177.064 177.584 0.264 0.000 1.206 446 A CA -0.491 51.787 52.037 0.401 0.000 0.835 446 A CB 1.234 20.557 19.000 0.538 0.000 1.164 446 A HN 0.704 nan 8.150 nan 0.000 0.505 447 V N 3.439 123.396 119.914 0.073 0.000 2.347 447 V HA 0.295 4.414 4.120 -0.000 0.000 0.280 447 V C -1.185 174.893 176.094 -0.026 0.000 1.021 447 V CA -0.319 62.086 62.300 0.175 0.000 0.847 447 V CB 0.431 32.460 31.823 0.344 0.000 0.990 447 V HN 0.737 nan 8.190 nan 0.000 0.444 448 Y N 3.987 124.360 120.300 0.121 0.000 2.328 448 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 448 Y C 0.704 176.641 175.900 0.061 0.000 1.008 448 Y CA -0.584 57.563 58.100 0.079 0.000 1.129 448 Y CB 1.140 39.651 38.460 0.085 0.000 1.185 448 Y HN 0.476 nan 8.280 nan 0.000 0.476 449 R N 1.749 122.334 120.500 0.142 0.000 2.428 449 R HA 0.767 5.107 4.340 -0.000 0.000 0.294 449 R C -0.519 175.813 176.300 0.053 0.000 1.000 449 R CA -0.828 55.312 56.100 0.067 0.000 0.960 449 R CB 1.218 31.541 30.300 0.040 0.000 1.076 449 R HN 0.777 nan 8.270 nan 0.000 0.475 450 A N 2.592 125.425 122.820 0.022 0.000 2.310 450 A HA 0.366 4.686 4.320 -0.000 0.000 0.299 450 A C -0.656 176.819 177.584 -0.181 0.000 1.147 450 A CA -0.571 51.451 52.037 -0.025 0.000 0.818 450 A CB 0.928 19.965 19.000 0.062 0.000 1.096 450 A HN 0.495 nan 8.150 nan 0.000 0.495 451 Q N 0.700 120.312 119.800 -0.313 0.000 2.458 451 Q HA 0.526 4.866 4.340 -0.000 0.000 0.282 451 Q C -2.630 172.948 176.000 -0.703 0.000 1.106 451 Q CA -1.954 53.591 55.803 -0.431 0.000 0.814 451 Q CB 0.855 29.473 28.738 -0.199 0.000 1.425 451 Q HN 0.467 nan 8.270 nan 0.000 0.437 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.858 63.100 -0.404 0.000 0.800 452 P CB 0.000 31.619 31.700 -0.135 0.000 0.726