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 2fwr_1_A DATA FIRST_RESID 23 DATA SEQUENCE MIAEIYYERG TIVVKGDAHV PHAKFDSRSG TYRALAFRYR DIIEYFESNG DATA SEQUENCE IEFVDNAADP IPTPYFDAEI SLRDYQEKAL ERWLVDKRGC IVLPTGSGKT DATA SEQUENCE HVAMAAINEL STPTLIVVPT LALAEQWKER LGIFGEEYVG EFSGRIKELK DATA SEQUENCE PLTVSTYDSA YVNAEKLGNR FMLLIFDEVH HLPAESYVQI AQMSIAPFRL DATA SEQUENCE GLTATFERED GRHEILKEVV GGKVFELFPD SLAGKHLAKY TIKRIFVPLA DATA SEQUENCE EDERVEYEKR EKVYKQFLRA RGITLRRAED FNKIVMASGY DERAYEALRA DATA SEQUENCE WEEARRIAFN SKNKIRKLRE ILERHRKDKI IIFTRHNELV YRISKVFLIP DATA SEQUENCE AITHRTSREE REEILEGFRT GRFRAIVSSQ VLDEGIDVPD ANVGVIMSGS DATA SEQUENCE GSAREYIQRL GRILRPSKGK KEAVLYELIS RGTG 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 23 M HA 0.000 nan 4.480 nan 0.000 0.227 23 M C 0.000 176.321 176.300 0.036 0.000 1.140 23 M CA 0.000 55.319 55.300 0.032 0.000 0.988 23 M CB 0.000 32.626 32.600 0.043 0.000 1.302 24 I N 2.358 122.942 120.570 0.023 0.000 3.004 24 I HA 0.704 4.860 4.170 -0.024 0.000 0.287 24 I C 1.277 177.414 176.117 0.033 0.000 1.144 24 I CA 0.014 61.324 61.300 0.017 0.000 1.353 24 I CB 1.218 39.209 38.000 -0.014 0.000 1.417 24 I HN 1.040 nan 8.210 nan 0.000 0.602 25 A N 3.562 126.398 122.820 0.027 0.000 2.351 25 A HA 0.437 4.742 4.320 -0.024 0.000 0.257 25 A C 0.052 177.652 177.584 0.028 0.000 1.087 25 A CA -0.191 51.873 52.037 0.045 0.000 0.798 25 A CB 0.517 19.510 19.000 -0.011 0.000 1.033 25 A HN 0.831 nan 8.150 nan 0.000 0.488 26 E N 0.514 120.776 120.200 0.105 0.000 2.354 26 E HA 0.540 4.876 4.350 -0.024 0.000 0.283 26 E C -1.436 175.317 176.600 0.256 0.000 0.938 26 E CA -0.581 55.909 56.400 0.150 0.000 0.777 26 E CB 1.382 31.164 29.700 0.136 0.000 1.222 26 E HN 0.784 nan 8.360 nan 0.000 0.423 27 I N 1.009 121.763 120.570 0.306 0.000 2.689 27 I HA 0.767 4.923 4.170 -0.024 0.000 0.299 27 I C -1.377 174.963 176.117 0.371 0.000 1.059 27 I CA -0.961 60.530 61.300 0.319 0.000 1.055 27 I CB 1.588 39.807 38.000 0.365 0.000 1.243 27 I HN 0.608 nan 8.210 nan 0.000 0.425 28 Y N 2.773 123.168 120.300 0.158 0.000 2.609 28 Y HA 0.565 5.101 4.550 -0.024 0.000 0.336 28 Y C -1.982 174.000 175.900 0.135 0.000 1.129 28 Y CA -1.573 56.607 58.100 0.133 0.000 1.040 28 Y CB 0.862 39.374 38.460 0.087 0.000 1.310 28 Y HN 0.690 nan 8.280 nan 0.000 0.460 29 Y N 2.308 122.679 120.300 0.118 0.000 2.313 29 Y HA 0.551 5.090 4.550 -0.018 0.000 0.332 29 Y C -0.446 175.489 175.900 0.060 0.000 1.071 29 Y CA -0.283 57.821 58.100 0.006 0.000 1.169 29 Y CB 1.115 39.559 38.460 -0.026 0.000 1.192 29 Y HN 0.766 nan 8.280 nan 0.000 0.487 30 E N 6.788 126.643 120.200 -0.575 0.000 2.373 30 E HA 0.229 4.565 4.350 -0.024 0.000 0.251 30 E C -0.806 175.449 176.600 -0.574 0.000 0.923 30 E CA -0.824 55.356 56.400 -0.366 0.000 0.798 30 E CB 0.818 30.397 29.700 -0.202 0.000 1.303 30 E HN 0.848 nan 8.360 nan 0.000 0.412 31 R N 1.939 122.150 120.500 -0.481 0.000 3.127 31 R HA -0.279 4.047 4.340 -0.024 0.000 0.247 31 R C 0.811 176.906 176.300 -0.343 0.000 0.896 31 R CA 1.162 57.097 56.100 -0.275 0.000 0.624 31 R CB -1.692 28.524 30.300 -0.139 0.000 1.154 31 R HN 0.958 nan 8.270 nan 0.000 0.474 32 G N -1.013 107.486 108.800 -0.500 0.000 2.162 32 G HA2 -0.366 3.580 3.960 -0.024 0.000 0.260 32 G HA3 -0.366 3.580 3.960 -0.024 0.000 0.260 32 G C 0.104 174.903 174.900 -0.167 0.000 0.976 32 G CA 0.846 45.866 45.100 -0.133 0.000 0.655 32 G HN 1.078 nan 8.290 nan 0.000 0.533 33 T N -2.312 111.997 114.554 -0.408 0.000 2.883 33 T HA 0.737 5.073 4.350 -0.024 0.000 0.296 33 T C -0.541 173.986 174.700 -0.288 0.000 1.117 33 T CA -1.096 60.856 62.100 -0.247 0.000 1.006 33 T CB 2.413 71.156 68.868 -0.210 0.000 1.191 33 T HN 0.382 nan 8.240 nan 0.000 0.508 34 I N 2.785 123.263 120.570 -0.153 0.000 2.330 34 I HA 0.347 4.503 4.170 -0.024 0.000 0.286 34 I C 0.113 176.114 176.117 -0.194 0.000 1.025 34 I CA -0.874 60.363 61.300 -0.105 0.000 1.197 34 I CB 1.022 39.038 38.000 0.028 0.000 1.358 34 I HN 0.556 nan 8.210 nan 0.000 0.467 35 V N 7.650 127.314 119.914 -0.416 0.000 2.649 35 V HA 0.312 4.418 4.120 -0.024 0.000 0.292 35 V C 0.300 176.233 176.094 -0.268 0.000 1.055 35 V CA -0.404 61.601 62.300 -0.492 0.000 1.023 35 V CB 1.944 33.134 31.823 -1.054 0.000 0.992 35 V HN 0.423 nan 8.190 nan 0.000 0.480 36 V N 5.058 124.947 119.914 -0.042 0.000 2.540 36 V HA 0.531 4.636 4.120 -0.024 0.000 0.302 36 V C -0.216 175.995 176.094 0.196 0.000 1.035 36 V CA -0.988 61.387 62.300 0.125 0.000 0.873 36 V CB 1.740 33.658 31.823 0.159 0.000 0.992 36 V HN 0.834 nan 8.190 nan 0.000 0.428 37 K N 1.960 122.491 120.400 0.219 0.000 2.318 37 K HA 0.679 4.985 4.320 -0.024 0.000 0.249 37 K C 0.770 177.471 176.600 0.168 0.000 0.942 37 K CA -0.193 56.217 56.287 0.205 0.000 0.808 37 K CB 1.946 34.573 32.500 0.211 0.000 1.189 37 K HN 1.054 nan 8.250 nan 0.000 0.428 38 G N 1.627 110.507 108.800 0.132 0.000 2.143 38 G HA2 -0.216 3.730 3.960 -0.024 0.000 0.248 38 G HA3 -0.216 3.730 3.960 -0.024 0.000 0.248 38 G C -0.493 174.463 174.900 0.093 0.000 0.991 38 G CA 0.351 45.514 45.100 0.105 0.000 0.689 38 G HN 0.644 nan 8.290 nan 0.000 0.522 39 D N -1.218 119.194 120.400 0.019 0.000 2.688 39 D HA 0.514 5.140 4.640 -0.024 0.000 0.210 39 D C 0.463 176.496 176.300 -0.445 0.000 1.333 39 D CA 0.298 54.261 54.000 -0.063 0.000 0.920 39 D CB 0.913 41.807 40.800 0.157 0.000 1.554 39 D HN 0.507 nan 8.370 nan 0.000 0.579 40 A N 2.925 125.323 122.820 -0.703 0.000 2.423 40 A HA 0.108 4.414 4.320 -0.024 0.000 0.246 40 A C 0.538 177.478 177.584 -1.073 0.000 1.278 40 A CA 0.149 51.429 52.037 -1.261 0.000 0.903 40 A CB 0.046 18.476 19.000 -0.950 0.000 0.997 40 A HN 0.528 nan 8.150 nan 0.000 0.510 41 H N -1.396 117.515 119.070 -0.265 0.000 3.058 41 H HA 0.208 4.749 4.556 -0.024 0.000 0.266 41 H C 0.264 175.426 175.328 -0.276 0.000 1.135 41 H CA -0.209 55.734 56.048 -0.176 0.000 1.174 41 H CB 0.084 29.806 29.762 -0.067 0.000 1.581 41 H HN 0.160 nan 8.280 nan 0.000 0.553 42 V N 5.109 124.830 119.914 -0.321 0.000 3.032 42 V HA -0.004 4.101 4.120 -0.024 0.000 0.307 42 V C -1.559 174.173 176.094 -0.605 0.000 1.097 42 V CA -0.613 61.247 62.300 -0.734 0.000 1.191 42 V CB 0.849 32.361 31.823 -0.518 0.000 0.964 42 V HN 0.182 nan 8.190 nan 0.000 0.494 43 P HA 0.248 nan 4.420 nan 0.000 0.278 43 P C -0.121 177.000 177.300 -0.298 0.000 1.238 43 P CA -0.022 62.769 63.100 -0.516 0.000 0.794 43 P CB 0.529 31.925 31.700 -0.507 0.000 0.955 44 H N -0.985 117.973 119.070 -0.187 0.000 4.444 44 H HA -0.231 4.316 4.556 -0.015 0.000 0.136 44 H C 0.579 175.844 175.328 -0.104 0.000 0.754 44 H CA 1.508 57.470 56.048 -0.143 0.000 1.246 44 H CB -2.252 27.394 29.762 -0.194 0.000 0.823 44 H HN 0.675 nan 8.280 nan 0.000 0.476 45 A N 1.813 124.624 122.820 -0.016 0.000 2.396 45 A HA 0.447 4.752 4.320 -0.024 0.000 0.279 45 A C 0.094 177.770 177.584 0.154 0.000 1.165 45 A CA -0.307 51.763 52.037 0.054 0.000 0.824 45 A CB 0.274 19.304 19.000 0.050 0.000 1.100 45 A HN 0.185 nan 8.150 nan 0.000 0.516 46 K N 2.019 122.485 120.400 0.109 0.000 2.207 46 K HA 0.354 4.660 4.320 -0.024 0.000 0.255 46 K C -0.643 175.933 176.600 -0.039 0.000 0.941 46 K CA -0.994 55.349 56.287 0.094 0.000 0.825 46 K CB 1.042 33.564 32.500 0.037 0.000 1.119 46 K HN 0.578 nan 8.250 nan 0.000 0.430 47 F N 1.827 121.562 119.950 -0.359 0.000 2.578 47 F HA -0.061 4.452 4.527 -0.023 0.000 0.381 47 F C 0.505 176.104 175.800 -0.335 0.000 1.069 47 F CA 0.122 57.736 58.000 -0.643 0.000 1.231 47 F CB 0.467 39.086 39.000 -0.635 0.000 1.086 47 F HN 0.429 nan 8.300 nan 0.000 0.564 48 D N 3.889 123.683 120.400 -1.009 0.000 2.411 48 D HA 0.095 4.720 4.640 -0.024 0.000 0.225 48 D C 0.976 176.703 176.300 -0.956 0.000 1.156 48 D CA 0.159 53.745 54.000 -0.690 0.000 0.874 48 D CB 1.070 41.572 40.800 -0.496 0.000 1.034 48 D HN 0.520 nan 8.370 nan 0.000 0.502 49 S N 4.096 119.524 115.700 -0.454 0.000 2.399 49 S HA -0.208 4.248 4.470 -0.024 0.000 0.231 49 S C 1.869 176.376 174.600 -0.155 0.000 1.022 49 S CA 0.488 58.601 58.200 -0.146 0.000 0.983 49 S CB -0.122 63.108 63.200 0.050 0.000 0.803 49 S HN 0.534 nan 8.310 nan 0.000 0.480 50 R N 1.372 121.767 120.500 -0.175 0.000 2.148 50 R HA -0.010 4.315 4.340 -0.024 0.000 0.227 50 R C 1.274 177.494 176.300 -0.133 0.000 1.103 50 R CA 1.513 57.542 56.100 -0.119 0.000 0.983 50 R CB -0.154 30.087 30.300 -0.099 0.000 0.874 50 R HN 0.638 nan 8.270 nan 0.000 0.451 51 S N -2.299 113.268 115.700 -0.221 0.000 2.952 51 S HA 0.187 4.643 4.470 -0.024 0.000 0.251 51 S C 0.669 175.140 174.600 -0.215 0.000 1.021 51 S CA 0.132 58.229 58.200 -0.170 0.000 1.067 51 S CB 1.011 64.130 63.200 -0.135 0.000 1.002 51 S HN 0.403 nan 8.310 nan 0.000 0.574 52 G N 1.949 110.537 108.800 -0.353 0.000 2.337 52 G HA2 -0.251 3.694 3.960 -0.024 0.000 0.290 52 G HA3 -0.251 3.694 3.960 -0.024 0.000 0.290 52 G C 0.178 174.920 174.900 -0.264 0.000 1.003 52 G CA 0.797 45.725 45.100 -0.286 0.000 0.825 52 G HN 1.414 nan 8.290 nan 0.000 0.509 53 T N -3.111 111.139 114.554 -0.507 0.000 2.906 53 T HA 0.631 4.967 4.350 -0.024 0.000 0.295 53 T C -0.433 174.041 174.700 -0.376 0.000 1.061 53 T CA -1.081 60.891 62.100 -0.213 0.000 1.000 53 T CB 1.910 70.723 68.868 -0.092 0.000 1.103 53 T HN 0.194 nan 8.240 nan 0.000 0.486 54 Y N 0.911 121.181 120.300 -0.050 0.000 2.319 54 Y HA 0.611 5.146 4.550 -0.026 0.000 0.328 54 Y C 1.013 176.858 175.900 -0.093 0.000 1.133 54 Y CA -0.502 57.583 58.100 -0.025 0.000 1.265 54 Y CB 0.984 39.467 38.460 0.037 0.000 1.218 54 Y HN 0.617 nan 8.280 nan 0.000 0.508 55 R N 1.752 122.233 120.500 -0.032 0.000 2.725 55 R HA 0.888 5.213 4.340 -0.024 0.000 0.277 55 R C -1.919 174.351 176.300 -0.051 0.000 0.987 55 R CA -0.823 55.228 56.100 -0.082 0.000 0.901 55 R CB 1.624 31.834 30.300 -0.150 0.000 1.207 55 R HN 0.763 nan 8.270 nan 0.000 0.463 56 A N 4.160 126.938 122.820 -0.071 0.000 2.486 56 A HA 0.424 4.730 4.320 -0.024 0.000 0.300 56 A C -1.150 176.376 177.584 -0.097 0.000 1.048 56 A CA -0.797 51.195 52.037 -0.075 0.000 0.696 56 A CB 1.366 20.318 19.000 -0.080 0.000 1.278 56 A HN 0.552 nan 8.150 nan 0.000 0.405 57 L N 1.607 122.776 121.223 -0.091 0.000 2.529 57 L HA 0.038 4.363 4.340 -0.024 0.000 0.287 57 L C 1.948 178.781 176.870 -0.061 0.000 1.241 57 L CA 1.159 55.987 54.840 -0.021 0.000 0.857 57 L CB 0.208 42.349 42.059 0.137 0.000 1.113 57 L HN 1.038 nan 8.230 nan 0.000 0.504 58 A N 4.171 127.035 122.820 0.073 0.000 1.978 58 A HA -0.232 4.074 4.320 -0.024 0.000 0.220 58 A C 1.791 179.460 177.584 0.142 0.000 1.170 58 A CA 1.647 53.764 52.037 0.133 0.000 0.636 58 A CB -0.784 18.385 19.000 0.282 0.000 0.810 58 A HN 0.800 nan 8.150 nan 0.000 0.448 59 F N -1.110 118.891 119.950 0.084 0.000 2.583 59 F HA 0.049 4.551 4.527 -0.042 0.000 0.297 59 F C 1.603 177.425 175.800 0.037 0.000 1.131 59 F CA 0.703 58.748 58.000 0.075 0.000 1.467 59 F CB -0.066 38.974 39.000 0.065 0.000 1.097 59 F HN -0.043 nan 8.300 nan 0.000 0.586 60 R N -0.104 120.020 120.500 -0.628 0.000 2.334 60 R HA -0.013 4.312 4.340 -0.024 0.000 0.220 60 R C 1.411 177.589 176.300 -0.204 0.000 0.917 60 R CA 0.182 55.917 56.100 -0.608 0.000 1.073 60 R CB -1.209 28.625 30.300 -0.778 0.000 1.056 60 R HN 0.577 nan 8.270 nan 0.000 0.506 61 Y N 1.633 121.837 120.300 -0.160 0.000 2.128 61 Y HA -0.290 4.243 4.550 -0.028 0.000 0.284 61 Y C 2.598 178.461 175.900 -0.060 0.000 1.154 61 Y CA 1.910 59.971 58.100 -0.064 0.000 1.149 61 Y CB 0.004 38.462 38.460 -0.002 0.000 0.976 61 Y HN -0.044 nan 8.280 nan 0.000 0.505 62 R N 0.559 120.988 120.500 -0.118 0.000 2.097 62 R HA -0.221 4.104 4.340 -0.024 0.000 0.236 62 R C 1.920 178.096 176.300 -0.207 0.000 1.135 62 R CA 2.393 58.362 56.100 -0.219 0.000 0.934 62 R CB -0.564 29.696 30.300 -0.068 0.000 0.846 62 R HN 0.419 nan 8.270 nan 0.000 0.431 63 D N 0.451 120.764 120.400 -0.145 0.000 2.106 63 D HA -0.216 4.410 4.640 -0.024 0.000 0.191 63 D C 2.033 178.253 176.300 -0.133 0.000 0.997 63 D CA 1.750 55.686 54.000 -0.108 0.000 0.834 63 D CB -0.340 40.397 40.800 -0.104 0.000 0.956 63 D HN 0.355 nan 8.370 nan 0.000 0.448 64 I N 0.962 121.417 120.570 -0.192 0.000 2.118 64 I HA -0.285 3.871 4.170 -0.024 0.000 0.241 64 I C 2.466 178.426 176.117 -0.261 0.000 1.070 64 I CA 0.731 61.878 61.300 -0.255 0.000 1.327 64 I CB -0.171 37.725 38.000 -0.173 0.000 1.034 64 I HN 0.020 nan 8.210 nan 0.000 0.405 65 I N 0.791 121.178 120.570 -0.304 0.000 2.099 65 I HA -0.316 3.840 4.170 -0.024 0.000 0.239 65 I C 2.484 178.496 176.117 -0.175 0.000 1.066 65 I CA 1.862 62.974 61.300 -0.312 0.000 1.324 65 I CB -1.227 36.501 38.000 -0.454 0.000 1.037 65 I HN 0.323 nan 8.210 nan 0.000 0.401 66 E N -0.615 119.505 120.200 -0.133 0.000 2.219 66 E HA -0.287 4.049 4.350 -0.024 0.000 0.198 66 E C 2.040 178.618 176.600 -0.037 0.000 0.998 66 E CA 1.461 57.828 56.400 -0.056 0.000 0.818 66 E CB -0.294 29.385 29.700 -0.035 0.000 0.741 66 E HN 0.613 nan 8.360 nan 0.000 0.477 67 Y N -0.165 119.999 120.300 -0.225 0.000 2.153 67 Y HA -0.197 4.338 4.550 -0.026 0.000 0.289 67 Y C 1.739 177.500 175.900 -0.230 0.000 1.119 67 Y CA 1.322 59.263 58.100 -0.264 0.000 1.116 67 Y CB -0.367 37.852 38.460 -0.401 0.000 1.004 67 Y HN -0.099 nan 8.280 nan 0.000 0.501 68 F N 1.288 121.050 119.950 -0.314 0.000 2.120 68 F HA -0.193 4.318 4.527 -0.028 0.000 0.300 68 F C 2.336 177.976 175.800 -0.266 0.000 1.095 68 F CA 1.914 59.663 58.000 -0.419 0.000 1.249 68 F CB -0.962 37.727 39.000 -0.518 0.000 0.995 68 F HN 0.163 nan 8.300 nan 0.000 0.480 69 E N 0.399 120.603 120.200 0.006 0.000 1.998 69 E HA -0.197 4.139 4.350 -0.024 0.000 0.196 69 E C 2.457 179.052 176.600 -0.007 0.000 1.003 69 E CA 2.043 58.469 56.400 0.043 0.000 0.829 69 E CB -0.494 29.238 29.700 0.053 0.000 0.777 69 E HN 0.277 nan 8.360 nan 0.000 0.460 70 S N 0.332 116.004 115.700 -0.047 0.000 2.407 70 S HA -0.227 4.228 4.470 -0.024 0.000 0.235 70 S C 1.213 175.751 174.600 -0.104 0.000 1.036 70 S CA 1.681 59.838 58.200 -0.072 0.000 1.013 70 S CB -0.562 62.596 63.200 -0.071 0.000 0.820 70 S HN 0.193 nan 8.310 nan 0.000 0.476 71 N N 1.527 120.127 118.700 -0.167 0.000 2.295 71 N HA 0.366 5.092 4.740 -0.024 0.000 0.221 71 N C 0.791 176.236 175.510 -0.107 0.000 1.129 71 N CA 0.494 53.434 53.050 -0.182 0.000 0.836 71 N CB 0.086 38.358 38.487 -0.358 0.000 1.040 71 N HN 0.574 nan 8.380 nan 0.000 0.494 72 G N 1.006 109.780 108.800 -0.043 0.000 2.441 72 G HA2 -0.289 3.657 3.960 -0.024 0.000 0.298 72 G HA3 -0.289 3.657 3.960 -0.024 0.000 0.298 72 G C -0.068 174.852 174.900 0.033 0.000 0.949 72 G CA 0.260 45.371 45.100 0.017 0.000 1.072 72 G HN 0.394 nan 8.290 nan 0.000 0.512 73 I N -0.313 120.292 120.570 0.058 0.000 2.428 73 I HA 0.282 4.437 4.170 -0.024 0.000 0.296 73 I C 0.237 176.457 176.117 0.172 0.000 0.985 73 I CA -0.853 60.519 61.300 0.121 0.000 1.260 73 I CB 1.390 39.521 38.000 0.218 0.000 1.389 73 I HN -0.026 nan 8.210 nan 0.000 0.484 74 E N 6.269 126.534 120.200 0.109 0.000 2.200 74 E HA 0.404 4.740 4.350 -0.024 0.000 0.283 74 E C -1.036 175.570 176.600 0.009 0.000 1.015 74 E CA -0.118 56.322 56.400 0.067 0.000 0.819 74 E CB 1.362 31.067 29.700 0.008 0.000 1.081 74 E HN 0.419 nan 8.360 nan 0.000 0.397 75 F N 0.009 119.764 119.950 -0.326 0.000 2.643 75 F HA 0.660 5.171 4.527 -0.027 0.000 0.314 75 F C -1.242 174.412 175.800 -0.243 0.000 1.096 75 F CA -1.218 56.512 58.000 -0.449 0.000 0.953 75 F CB 0.948 39.301 39.000 -1.078 0.000 1.345 75 F HN -0.018 nan 8.300 nan 0.000 0.468 76 V N 1.520 121.204 119.914 -0.384 0.000 2.417 76 V HA 0.279 4.384 4.120 -0.024 0.000 0.291 76 V C -1.149 174.871 176.094 -0.123 0.000 1.024 76 V CA -0.423 61.673 62.300 -0.340 0.000 0.861 76 V CB 1.347 33.093 31.823 -0.129 0.000 0.985 76 V HN 0.754 nan 8.190 nan 0.000 0.436 77 D N 3.773 124.084 120.400 -0.149 0.000 2.479 77 D HA 0.215 4.840 4.640 -0.024 0.000 0.218 77 D C 0.451 176.830 176.300 0.133 0.000 1.131 77 D CA 0.062 54.171 54.000 0.181 0.000 0.916 77 D CB 0.259 41.237 40.800 0.296 0.000 1.022 77 D HN 0.582 nan 8.370 nan 0.000 0.515 78 N N 1.802 120.606 118.700 0.174 0.000 2.238 78 N HA 0.171 4.896 4.740 -0.024 0.000 0.222 78 N C 0.827 176.457 175.510 0.199 0.000 1.133 78 N CA -0.214 52.921 53.050 0.142 0.000 0.854 78 N CB 0.876 39.436 38.487 0.120 0.000 1.041 78 N HN 0.352 nan 8.380 nan 0.000 0.510 79 A N 0.754 123.701 122.820 0.212 0.000 1.881 79 A HA 0.422 4.728 4.320 -0.024 0.000 0.210 79 A C 1.113 178.691 177.584 -0.009 0.000 1.239 79 A CA 0.210 52.353 52.037 0.177 0.000 0.629 79 A CB -0.241 18.876 19.000 0.195 0.000 0.906 79 A HN 0.251 nan 8.150 nan 0.000 0.460 80 A N 0.390 123.161 122.820 -0.081 0.000 2.450 80 A HA 0.444 4.750 4.320 -0.024 0.000 0.255 80 A C -0.587 176.916 177.584 -0.135 0.000 1.096 80 A CA 0.338 52.255 52.037 -0.201 0.000 0.778 80 A CB -0.005 18.918 19.000 -0.129 0.000 1.031 80 A HN 0.283 nan 8.150 nan 0.000 0.494 81 D N 2.741 123.017 120.400 -0.206 0.000 2.468 81 D HA 0.388 5.013 4.640 -0.024 0.000 0.272 81 D C -2.917 173.241 176.300 -0.237 0.000 1.221 81 D CA -1.556 52.334 54.000 -0.183 0.000 0.860 81 D CB 0.864 41.554 40.800 -0.183 0.000 1.190 81 D HN 0.157 nan 8.370 nan 0.000 0.509 82 P HA 0.189 nan 4.420 nan 0.000 0.271 82 P C 0.199 177.369 177.300 -0.218 0.000 1.220 82 P CA -0.159 62.813 63.100 -0.213 0.000 0.768 82 P CB 0.686 32.306 31.700 -0.133 0.000 0.848 83 I N 6.132 126.533 120.570 -0.283 0.000 2.598 83 I HA 0.052 4.208 4.170 -0.024 0.000 0.284 83 I C -1.559 174.465 176.117 -0.155 0.000 1.140 83 I CA -1.755 59.413 61.300 -0.221 0.000 1.420 83 I CB 0.210 38.060 38.000 -0.250 0.000 1.387 83 I HN 0.183 nan 8.210 nan 0.000 0.553 84 P HA 0.033 nan 4.420 nan 0.000 0.263 84 P C -0.646 176.554 177.300 -0.168 0.000 1.195 84 P CA 0.101 63.119 63.100 -0.136 0.000 0.762 84 P CB 0.493 32.129 31.700 -0.107 0.000 0.799 85 T N 5.148 119.557 114.554 -0.243 0.000 2.841 85 T HA 0.466 4.801 4.350 -0.024 0.000 0.283 85 T C -1.806 172.577 174.700 -0.528 0.000 1.000 85 T CA -1.133 60.741 62.100 -0.376 0.000 0.977 85 T CB 1.361 70.013 68.868 -0.359 0.000 0.979 85 T HN 0.390 nan 8.240 nan 0.000 0.446 86 P HA 0.233 nan 4.420 nan 0.000 0.293 86 P C -1.009 175.897 177.300 -0.657 0.000 1.298 86 P CA -0.596 62.161 63.100 -0.572 0.000 0.757 86 P CB 0.915 32.299 31.700 -0.527 0.000 1.262 87 Y N -0.624 119.433 120.300 -0.404 0.000 2.434 87 Y HA 0.235 4.769 4.550 -0.027 0.000 0.341 87 Y C 0.428 176.213 175.900 -0.192 0.000 0.965 87 Y CA -1.139 56.770 58.100 -0.318 0.000 1.205 87 Y CB 0.267 38.645 38.460 -0.137 0.000 1.121 87 Y HN 0.064 nan 8.280 nan 0.000 0.507 88 F N 2.322 122.343 119.950 0.118 0.000 2.506 88 F HA 0.099 4.604 4.527 -0.036 0.000 0.351 88 F C 0.556 176.466 175.800 0.183 0.000 1.136 88 F CA -0.312 57.773 58.000 0.143 0.000 1.298 88 F CB 0.475 39.513 39.000 0.062 0.000 1.145 88 F HN 0.412 nan 8.300 nan 0.000 0.593 89 D N 1.172 121.858 120.400 0.477 0.000 2.934 89 D HA 0.416 5.042 4.640 -0.024 0.000 0.249 89 D C -0.575 175.898 176.300 0.288 0.000 1.293 89 D CA -0.090 54.123 54.000 0.356 0.000 0.812 89 D CB 0.221 41.181 40.800 0.268 0.000 1.439 89 D HN 0.599 nan 8.370 nan 0.000 0.555 90 A N 1.259 124.241 122.820 0.269 0.000 2.274 90 A HA 0.797 5.102 4.320 -0.024 0.000 0.297 90 A C -0.111 177.529 177.584 0.092 0.000 1.191 90 A CA -0.460 51.609 52.037 0.053 0.000 0.889 90 A CB 0.769 19.579 19.000 -0.315 0.000 1.294 90 A HN 0.304 nan 8.150 nan 0.000 0.506 91 E N -0.138 120.074 120.200 0.021 0.000 2.235 91 E HA 0.426 4.762 4.350 -0.024 0.000 0.252 91 E C -1.771 174.833 176.600 0.006 0.000 0.886 91 E CA -0.196 56.240 56.400 0.060 0.000 0.767 91 E CB 1.447 31.197 29.700 0.085 0.000 1.205 91 E HN 0.413 nan 8.360 nan 0.000 0.421 92 I N 2.459 123.045 120.570 0.026 0.000 2.330 92 I HA 0.080 4.236 4.170 -0.024 0.000 0.289 92 I C 0.413 176.526 176.117 -0.007 0.000 1.001 92 I CA -0.403 60.904 61.300 0.011 0.000 1.193 92 I CB 1.415 39.438 38.000 0.038 0.000 1.345 92 I HN 0.286 nan 8.210 nan 0.000 0.461 93 S N 7.326 123.008 115.700 -0.031 0.000 2.528 93 S HA 0.711 5.167 4.470 -0.024 0.000 0.277 93 S C -0.474 174.039 174.600 -0.145 0.000 1.297 93 S CA -0.613 57.527 58.200 -0.101 0.000 1.052 93 S CB 0.500 63.632 63.200 -0.113 0.000 0.917 93 S HN 0.502 nan 8.310 nan 0.000 0.492 94 L N 2.938 124.047 121.223 -0.190 0.000 2.406 94 L HA 0.507 4.832 4.340 -0.024 0.000 0.272 94 L C 0.479 177.140 176.870 -0.347 0.000 0.980 94 L CA -0.856 53.825 54.840 -0.266 0.000 0.831 94 L CB 1.847 43.784 42.059 -0.203 0.000 1.253 94 L HN 0.667 nan 8.230 nan 0.000 0.406 95 R N 0.870 121.109 120.500 -0.435 0.000 2.893 95 R HA -0.035 4.291 4.340 -0.024 0.000 0.279 95 R C 1.021 177.038 176.300 -0.470 0.000 1.076 95 R CA 0.099 55.946 56.100 -0.422 0.000 1.203 95 R CB 0.484 30.596 30.300 -0.313 0.000 1.137 95 R HN 0.717 nan 8.270 nan 0.000 0.541 96 D N 0.457 120.659 120.400 -0.330 0.000 2.117 96 D HA -0.239 4.387 4.640 -0.024 0.000 0.197 96 D C 1.654 177.872 176.300 -0.136 0.000 0.987 96 D CA 1.826 55.703 54.000 -0.205 0.000 0.829 96 D CB -0.687 40.064 40.800 -0.082 0.000 0.961 96 D HN 0.714 nan 8.370 nan 0.000 0.460 97 Y N 0.176 120.358 120.300 -0.196 0.000 2.352 97 Y HA 0.111 4.647 4.550 -0.023 0.000 0.292 97 Y C 2.146 177.911 175.900 -0.224 0.000 1.136 97 Y CA 0.761 58.779 58.100 -0.138 0.000 1.227 97 Y CB -1.120 37.272 38.460 -0.114 0.000 0.991 97 Y HN -0.010 nan 8.280 nan 0.000 0.545 98 Q N 0.117 119.413 119.800 -0.840 0.000 2.311 98 Q HA -0.123 4.203 4.340 -0.024 0.000 0.203 98 Q C 1.798 177.566 176.000 -0.387 0.000 0.954 98 Q CA 1.228 56.644 55.803 -0.646 0.000 0.885 98 Q CB -0.001 28.298 28.738 -0.733 0.000 0.963 98 Q HN 0.504 nan 8.270 nan 0.000 0.471 99 E N 1.186 121.198 120.200 -0.313 0.000 2.170 99 E HA -0.107 4.228 4.350 -0.024 0.000 0.191 99 E C 1.748 178.260 176.600 -0.146 0.000 0.981 99 E CA 0.902 57.194 56.400 -0.180 0.000 0.830 99 E CB 0.164 29.784 29.700 -0.132 0.000 0.775 99 E HN -0.060 nan 8.360 nan 0.000 0.470 100 K N 0.321 120.618 120.400 -0.173 0.000 2.025 100 K HA 0.021 4.327 4.320 -0.024 0.000 0.207 100 K C 1.954 178.376 176.600 -0.297 0.000 1.049 100 K CA 1.166 57.382 56.287 -0.119 0.000 0.933 100 K CB -0.493 32.016 32.500 0.015 0.000 0.714 100 K HN 0.183 nan 8.250 nan 0.000 0.438 101 A N 1.708 124.080 122.820 -0.746 0.000 1.865 101 A HA -0.201 4.104 4.320 -0.024 0.000 0.217 101 A C 2.214 179.628 177.584 -0.282 0.000 1.191 101 A CA 1.666 53.117 52.037 -0.976 0.000 0.623 101 A CB -0.810 17.558 19.000 -1.054 0.000 0.826 101 A HN 0.321 nan 8.150 nan 0.000 0.444 102 L N -0.078 121.032 121.223 -0.190 0.000 1.956 102 L HA -0.212 4.113 4.340 -0.024 0.000 0.216 102 L C 2.292 179.228 176.870 0.110 0.000 1.073 102 L CA 2.662 57.503 54.840 0.002 0.000 0.762 102 L CB -0.838 41.211 42.059 -0.017 0.000 0.889 102 L HN 0.422 nan 8.230 nan 0.000 0.433 103 E N -0.307 119.920 120.200 0.045 0.000 2.130 103 E HA -0.232 4.104 4.350 -0.024 0.000 0.196 103 E C 2.330 178.980 176.600 0.084 0.000 0.998 103 E CA 1.017 57.459 56.400 0.070 0.000 0.806 103 E CB -0.280 29.446 29.700 0.044 0.000 0.738 103 E HN 0.474 nan 8.360 nan 0.000 0.459 104 R N -0.348 120.205 120.500 0.088 0.000 2.091 104 R HA -0.176 4.149 4.340 -0.024 0.000 0.238 104 R C 2.088 178.473 176.300 0.141 0.000 1.136 104 R CA 1.245 57.422 56.100 0.130 0.000 0.959 104 R CB -0.853 29.574 30.300 0.212 0.000 0.856 104 R HN 0.324 nan 8.270 nan 0.000 0.437 105 W N 1.157 122.463 121.300 0.010 0.000 2.388 105 W HA -0.115 4.505 4.660 -0.067 0.000 0.294 105 W C 1.481 178.011 176.519 0.019 0.000 1.212 105 W CA 0.661 58.019 57.345 0.021 0.000 1.271 105 W CB -0.118 29.346 29.460 0.006 0.000 1.126 105 W HN -0.053 nan 8.180 nan 0.000 0.535 106 L N 0.679 121.914 121.223 0.021 0.000 2.549 106 L HA -0.153 4.173 4.340 -0.024 0.000 0.230 106 L C 2.027 178.769 176.870 -0.213 0.000 1.162 106 L CA 0.962 55.710 54.840 -0.153 0.000 0.834 106 L CB -1.758 40.318 42.059 0.027 0.000 0.947 106 L HN -0.012 nan 8.230 nan 0.000 0.452 107 V N -0.411 119.405 119.914 -0.163 0.000 2.270 107 V HA -0.207 3.899 4.120 -0.024 0.000 0.245 107 V C 1.725 177.722 176.094 -0.162 0.000 1.043 107 V CA 1.824 64.056 62.300 -0.113 0.000 1.014 107 V CB -0.190 31.601 31.823 -0.054 0.000 0.645 107 V HN 0.400 nan 8.190 nan 0.000 0.447 108 D N -1.382 118.869 120.400 -0.248 0.000 2.449 108 D HA 0.124 4.750 4.640 -0.024 0.000 0.210 108 D C 0.494 176.585 176.300 -0.348 0.000 1.094 108 D CA -0.012 53.865 54.000 -0.204 0.000 0.846 108 D CB 0.263 40.999 40.800 -0.106 0.000 1.003 108 D HN 0.398 nan 8.370 nan 0.000 0.504 109 K N 0.660 120.533 120.400 -0.878 0.000 3.148 109 K HA -0.239 4.067 4.320 -0.024 0.000 0.267 109 K C 0.114 176.399 176.600 -0.526 0.000 0.996 109 K CA 0.382 55.743 56.287 -1.543 0.000 0.737 109 K CB -1.197 30.727 32.500 -0.960 0.000 1.308 109 K HN 0.052 nan 8.250 nan 0.000 0.470 110 R N -0.297 119.992 120.500 -0.352 0.000 3.189 110 R HA 0.314 4.640 4.340 -0.024 0.000 0.222 110 R C -0.618 175.814 176.300 0.219 0.000 1.735 110 R CA 0.298 56.495 56.100 0.162 0.000 1.129 110 R CB 0.892 31.267 30.300 0.124 0.000 1.549 110 R HN 0.368 nan 8.270 nan 0.000 0.525 111 G N 0.473 109.561 108.800 0.480 0.000 2.488 111 G HA2 0.399 4.345 3.960 -0.024 0.000 0.301 111 G HA3 0.399 4.345 3.960 -0.024 0.000 0.301 111 G C -1.389 173.723 174.900 0.354 0.000 1.339 111 G CA -0.527 44.784 45.100 0.352 0.000 0.803 111 G HN 0.352 nan 8.290 nan 0.000 0.482 112 C N -0.400 119.005 119.300 0.176 0.000 2.411 112 C HA 0.768 5.214 4.460 -0.024 0.000 0.330 112 C C -0.216 174.804 174.990 0.050 0.000 1.224 112 C CA -0.305 58.763 59.018 0.085 0.000 1.770 112 C CB 0.559 28.271 27.740 -0.047 0.000 2.297 112 C HN 0.553 nan 8.230 nan 0.000 0.507 113 I N 2.918 123.525 120.570 0.061 0.000 2.355 113 I HA 0.402 4.558 4.170 -0.024 0.000 0.288 113 I C -0.375 175.788 176.117 0.077 0.000 0.999 113 I CA 0.239 61.592 61.300 0.088 0.000 1.163 113 I CB 1.353 39.377 38.000 0.040 0.000 1.316 113 I HN 0.407 nan 8.210 nan 0.000 0.454 114 V N 7.946 127.904 119.914 0.074 0.000 2.398 114 V HA 0.606 4.712 4.120 -0.024 0.000 0.286 114 V C -0.130 175.998 176.094 0.058 0.000 1.026 114 V CA -0.567 61.746 62.300 0.022 0.000 0.868 114 V CB 1.242 33.010 31.823 -0.091 0.000 0.982 114 V HN 0.460 nan 8.190 nan 0.000 0.443 115 L N 5.472 126.727 121.223 0.053 0.000 2.556 115 L HA 0.504 4.830 4.340 -0.024 0.000 0.257 115 L C -2.827 174.072 176.870 0.048 0.000 0.955 115 L CA -1.796 53.088 54.840 0.073 0.000 0.850 115 L CB 3.025 45.167 42.059 0.139 0.000 1.398 115 L HN 0.376 nan 8.230 nan 0.000 0.412 116 P HA 0.094 nan 4.420 nan 0.000 0.271 116 P C -0.465 176.867 177.300 0.053 0.000 1.233 116 P CA -0.159 62.962 63.100 0.035 0.000 0.789 116 P CB 0.402 32.122 31.700 0.033 0.000 0.951 117 T N 0.683 115.265 114.554 0.046 0.000 2.903 117 T HA 0.310 4.645 4.350 -0.024 0.000 0.314 117 T C 1.457 176.188 174.700 0.053 0.000 1.078 117 T CA 1.210 63.342 62.100 0.052 0.000 1.114 117 T CB -0.352 68.543 68.868 0.045 0.000 0.987 117 T HN 0.827 nan 8.240 nan 0.000 0.548 118 G N 1.407 110.240 108.800 0.055 0.000 2.212 118 G HA2 -0.337 3.608 3.960 -0.024 0.000 0.266 118 G HA3 -0.337 3.608 3.960 -0.024 0.000 0.266 118 G C 1.270 176.222 174.900 0.086 0.000 0.978 118 G CA 0.626 45.761 45.100 0.058 0.000 0.632 118 G HN 0.699 nan 8.290 nan 0.000 0.537 119 S N 0.047 115.811 115.700 0.106 0.000 2.474 119 S HA 0.330 4.786 4.470 -0.024 0.000 0.235 119 S C 2.028 176.748 174.600 0.200 0.000 0.997 119 S CA 1.463 59.773 58.200 0.183 0.000 0.949 119 S CB -0.191 63.120 63.200 0.186 0.000 0.766 119 S HN 2.276 nan 8.310 nan 0.000 0.517 120 G N 1.644 110.523 108.800 0.132 0.000 2.255 120 G HA2 -0.235 3.711 3.960 -0.024 0.000 0.239 120 G HA3 -0.235 3.711 3.960 -0.024 0.000 0.239 120 G C 0.566 175.534 174.900 0.113 0.000 1.083 120 G CA 0.311 45.510 45.100 0.165 0.000 0.826 120 G HN 0.416 nan 8.290 nan 0.000 0.493 121 K N -0.627 119.813 120.400 0.067 0.000 2.063 121 K HA -0.101 4.204 4.320 -0.024 0.000 0.208 121 K C 2.604 179.202 176.600 -0.004 0.000 1.048 121 K CA 1.848 58.156 56.287 0.036 0.000 0.928 121 K CB -0.259 32.283 32.500 0.071 0.000 0.713 121 K HN 0.405 nan 8.250 nan 0.000 0.442 122 T N 0.566 115.065 114.554 -0.092 0.000 2.822 122 T HA -0.165 4.171 4.350 -0.024 0.000 0.270 122 T C 1.489 176.002 174.700 -0.312 0.000 1.064 122 T CA 1.156 63.063 62.100 -0.322 0.000 1.131 122 T CB -0.305 68.159 68.868 -0.674 0.000 0.858 122 T HN 0.331 nan 8.240 nan 0.000 0.483 123 H N -0.029 118.944 119.070 -0.162 0.000 2.395 123 H HA 0.081 4.623 4.556 -0.022 0.000 0.299 123 H C 2.486 177.747 175.328 -0.110 0.000 1.070 123 H CA 1.013 56.976 56.048 -0.141 0.000 1.356 123 H CB -0.233 29.433 29.762 -0.159 0.000 1.401 123 H HN 0.246 nan 8.280 nan 0.000 0.524 124 V N 1.271 121.181 119.914 -0.008 0.000 2.358 124 V HA -0.218 3.887 4.120 -0.024 0.000 0.246 124 V C 2.842 178.889 176.094 -0.078 0.000 1.047 124 V CA 1.430 63.687 62.300 -0.070 0.000 1.035 124 V CB -0.931 30.817 31.823 -0.126 0.000 0.658 124 V HN 0.423 nan 8.190 nan 0.000 0.452 125 A N -0.560 122.236 122.820 -0.040 0.000 1.858 125 A HA -0.273 4.033 4.320 -0.024 0.000 0.216 125 A C 2.170 179.788 177.584 0.056 0.000 1.190 125 A CA 2.387 54.429 52.037 0.009 0.000 0.617 125 A CB -0.583 18.594 19.000 0.295 0.000 0.827 125 A HN 0.421 nan 8.150 nan 0.000 0.443 126 M N -0.026 119.626 119.600 0.087 0.000 2.108 126 M HA -0.127 4.338 4.480 -0.024 0.000 0.261 126 M C 2.282 178.705 176.300 0.205 0.000 1.066 126 M CA 1.637 57.046 55.300 0.182 0.000 1.107 126 M CB -0.672 31.948 32.600 0.033 0.000 1.356 126 M HN 0.452 nan 8.290 nan 0.000 0.406 127 A N -0.762 122.120 122.820 0.103 0.000 1.902 127 A HA -0.027 4.278 4.320 -0.024 0.000 0.217 127 A C 2.333 179.981 177.584 0.107 0.000 1.181 127 A CA 2.076 54.186 52.037 0.121 0.000 0.623 127 A CB -1.296 17.747 19.000 0.072 0.000 0.818 127 A HN 0.540 nan 8.150 nan 0.000 0.443 128 A N 0.028 122.862 122.820 0.023 0.000 1.902 128 A HA -0.071 4.235 4.320 -0.024 0.000 0.217 128 A C 2.110 179.708 177.584 0.024 0.000 1.181 128 A CA 1.478 53.525 52.037 0.017 0.000 0.623 128 A CB -0.638 18.200 19.000 -0.270 0.000 0.818 128 A HN 0.509 nan 8.150 nan 0.000 0.443 129 I N -0.068 120.488 120.570 -0.025 0.000 2.208 129 I HA -0.286 3.870 4.170 -0.024 0.000 0.245 129 I C 2.461 178.511 176.117 -0.111 0.000 1.097 129 I CA 1.893 63.124 61.300 -0.116 0.000 1.363 129 I CB -0.523 37.301 38.000 -0.293 0.000 1.051 129 I HN 0.497 nan 8.210 nan 0.000 0.413 130 N N 1.012 119.713 118.700 0.000 0.000 2.135 130 N HA -0.235 4.490 4.740 -0.024 0.000 0.186 130 N C 1.765 177.212 175.510 -0.104 0.000 1.027 130 N CA 1.568 54.698 53.050 0.134 0.000 0.849 130 N CB -0.047 38.677 38.487 0.395 0.000 1.002 130 N HN 0.219 nan 8.380 nan 0.000 0.425 131 E N 0.219 120.354 120.200 -0.108 0.000 2.023 131 E HA -0.129 4.207 4.350 -0.024 0.000 0.196 131 E C 1.984 178.443 176.600 -0.234 0.000 1.003 131 E CA 1.482 57.717 56.400 -0.276 0.000 0.809 131 E CB -0.423 29.319 29.700 0.069 0.000 0.755 131 E HN 0.413 nan 8.360 nan 0.000 0.449 132 L N -0.572 120.623 121.223 -0.046 0.000 2.093 132 L HA -0.083 4.242 4.340 -0.024 0.000 0.208 132 L C 1.431 178.319 176.870 0.031 0.000 1.085 132 L CA 1.001 55.836 54.840 -0.008 0.000 0.755 132 L CB -0.175 41.911 42.059 0.046 0.000 0.904 132 L HN 0.184 nan 8.230 nan 0.000 0.435 133 S N -0.239 115.505 115.700 0.074 0.000 3.641 133 S HA -0.150 4.306 4.470 -0.024 0.000 0.346 133 S C 0.372 174.906 174.600 -0.111 0.000 1.074 133 S CA 0.594 58.794 58.200 0.001 0.000 1.026 133 S CB -1.129 62.074 63.200 0.005 0.000 0.908 133 S HN 0.700 nan 8.310 nan 0.000 0.479 134 T N -0.206 114.375 114.554 0.046 0.000 2.942 134 T HA 0.738 5.074 4.350 -0.024 0.000 0.289 134 T C -3.076 171.676 174.700 0.088 0.000 1.044 134 T CA -2.101 60.025 62.100 0.045 0.000 1.023 134 T CB 1.901 70.871 68.868 0.170 0.000 1.123 134 T HN 0.054 nan 8.240 nan 0.000 0.512 135 P HA 0.197 nan 4.420 nan 0.000 0.262 135 P C -0.570 176.894 177.300 0.274 0.000 1.182 135 P CA 0.158 63.350 63.100 0.152 0.000 0.761 135 P CB 0.170 31.892 31.700 0.037 0.000 0.795 136 T N 3.682 118.381 114.554 0.241 0.000 2.900 136 T HA 0.519 4.855 4.350 -0.024 0.000 0.295 136 T C -0.540 173.963 174.700 -0.329 0.000 1.044 136 T CA -0.623 61.487 62.100 0.017 0.000 0.995 136 T CB 1.462 70.296 68.868 -0.056 0.000 1.072 136 T HN 0.291 nan 8.240 nan 0.000 0.473 137 L N 2.957 123.799 121.223 -0.635 0.000 2.362 137 L HA 0.642 4.967 4.340 -0.024 0.000 0.275 137 L C -1.591 174.846 176.870 -0.721 0.000 0.998 137 L CA -1.002 53.264 54.840 -0.957 0.000 0.820 137 L CB 1.333 42.573 42.059 -1.365 0.000 1.270 137 L HN 0.619 nan 8.230 nan 0.000 0.415 138 I N 4.737 124.894 120.570 -0.688 0.000 2.404 138 I HA 0.377 4.533 4.170 -0.024 0.000 0.293 138 I C -0.251 175.413 176.117 -0.754 0.000 0.992 138 I CA -0.471 60.353 61.300 -0.792 0.000 1.149 138 I CB 1.938 39.364 38.000 -0.957 0.000 1.315 138 I HN 0.138 nan 8.210 nan 0.000 0.446 139 V N 6.883 126.297 119.914 -0.834 0.000 2.357 139 V HA 0.604 4.709 4.120 -0.024 0.000 0.284 139 V C -0.142 175.467 176.094 -0.807 0.000 1.018 139 V CA -0.695 61.104 62.300 -0.835 0.000 0.841 139 V CB 1.539 32.796 31.823 -0.943 0.000 0.991 139 V HN 0.545 nan 8.190 nan 0.000 0.437 140 V N 3.325 122.875 119.914 -0.607 0.000 2.960 140 V HA 0.644 4.750 4.120 -0.024 0.000 0.315 140 V C -2.385 173.657 176.094 -0.088 0.000 1.087 140 V CA -2.115 60.023 62.300 -0.270 0.000 0.982 140 V CB 2.162 33.891 31.823 -0.155 0.000 1.039 140 V HN 0.488 nan 8.190 nan 0.000 0.437 141 P HA 0.032 nan 4.420 nan 0.000 0.216 141 P C 0.708 178.022 177.300 0.024 0.000 1.153 141 P CA 1.755 64.916 63.100 0.102 0.000 0.844 141 P CB 0.036 31.758 31.700 0.037 0.000 0.787 142 T N -4.275 110.304 114.554 0.041 0.000 2.927 142 T HA 0.381 4.717 4.350 -0.024 0.000 0.286 142 T C 0.949 175.666 174.700 0.027 0.000 1.040 142 T CA -0.774 61.346 62.100 0.033 0.000 1.010 142 T CB 0.604 69.501 68.868 0.049 0.000 1.177 142 T HN -0.211 nan 8.240 nan 0.000 0.546 143 L N 0.524 121.762 121.223 0.025 0.000 2.270 143 L HA 0.173 4.499 4.340 -0.024 0.000 0.210 143 L C 3.103 179.996 176.870 0.038 0.000 1.104 143 L CA 1.046 55.900 54.840 0.023 0.000 0.804 143 L CB -0.779 41.289 42.059 0.016 0.000 0.937 143 L HN 0.946 nan 8.230 nan 0.000 0.450 144 A N 0.162 123.008 122.820 0.043 0.000 1.877 144 A HA -0.190 4.115 4.320 -0.024 0.000 0.216 144 A C 2.236 179.863 177.584 0.072 0.000 1.186 144 A CA 1.328 53.394 52.037 0.048 0.000 0.620 144 A CB -0.658 18.368 19.000 0.044 0.000 0.822 144 A HN 0.333 nan 8.150 nan 0.000 0.443 145 L N -0.928 120.354 121.223 0.098 0.000 2.083 145 L HA -0.203 4.122 4.340 -0.024 0.000 0.209 145 L C 3.002 180.011 176.870 0.231 0.000 1.083 145 L CA 1.108 56.048 54.840 0.168 0.000 0.752 145 L CB -0.386 41.789 42.059 0.193 0.000 0.899 145 L HN 0.486 nan 8.230 nan 0.000 0.433 146 A N -0.396 122.505 122.820 0.135 0.000 1.929 146 A HA -0.181 4.125 4.320 -0.024 0.000 0.216 146 A C 2.038 179.695 177.584 0.121 0.000 1.176 146 A CA 1.214 53.317 52.037 0.110 0.000 0.628 146 A CB -0.288 18.723 19.000 0.019 0.000 0.816 146 A HN 0.460 nan 8.150 nan 0.000 0.444 147 E N -0.590 119.660 120.200 0.084 0.000 2.106 147 E HA -0.226 4.110 4.350 -0.024 0.000 0.192 147 E C 2.195 178.835 176.600 0.065 0.000 0.984 147 E CA 1.160 57.597 56.400 0.062 0.000 0.806 147 E CB -0.152 29.571 29.700 0.039 0.000 0.750 147 E HN 0.778 nan 8.360 nan 0.000 0.458 148 Q N 0.019 119.861 119.800 0.070 0.000 2.020 148 Q HA -0.185 4.141 4.340 -0.024 0.000 0.202 148 Q C 1.778 177.786 176.000 0.014 0.000 0.982 148 Q CA 1.486 57.300 55.803 0.018 0.000 0.838 148 Q CB -0.119 28.619 28.738 0.000 0.000 0.899 148 Q HN 0.329 nan 8.270 nan 0.000 0.423 149 W N 1.068 122.343 121.300 -0.041 0.000 2.338 149 W HA -0.153 4.516 4.660 0.015 0.000 0.304 149 W C 2.315 178.808 176.519 -0.043 0.000 1.212 149 W CA 1.226 58.540 57.345 -0.053 0.000 1.264 149 W CB 0.059 29.481 29.460 -0.064 0.000 1.142 149 W HN 0.140 nan 8.180 nan 0.000 0.512 150 K N 0.047 120.578 120.400 0.217 0.000 2.097 150 K HA -0.238 4.067 4.320 -0.024 0.000 0.206 150 K C 1.893 178.538 176.600 0.076 0.000 1.049 150 K CA 1.625 57.990 56.287 0.129 0.000 0.933 150 K CB -0.293 32.260 32.500 0.088 0.000 0.717 150 K HN 0.261 nan 8.250 nan 0.000 0.442 151 E N 0.894 121.117 120.200 0.038 0.000 2.072 151 E HA -0.175 4.161 4.350 -0.024 0.000 0.191 151 E C 1.921 178.498 176.600 -0.039 0.000 0.985 151 E CA 0.849 57.246 56.400 -0.004 0.000 0.801 151 E CB 0.197 29.884 29.700 -0.021 0.000 0.750 151 E HN 0.205 nan 8.360 nan 0.000 0.452 152 R N 0.029 120.486 120.500 -0.072 0.000 2.080 152 R HA -0.144 4.182 4.340 -0.024 0.000 0.236 152 R C 2.404 178.643 176.300 -0.102 0.000 1.137 152 R CA 1.148 57.160 56.100 -0.146 0.000 0.943 152 R CB -0.454 29.686 30.300 -0.267 0.000 0.846 152 R HN 0.183 nan 8.270 nan 0.000 0.431 153 L N 0.727 121.968 121.223 0.030 0.000 2.351 153 L HA -0.114 4.212 4.340 -0.024 0.000 0.220 153 L C 2.253 179.184 176.870 0.102 0.000 1.127 153 L CA 1.700 56.634 54.840 0.156 0.000 0.786 153 L CB -1.325 40.872 42.059 0.230 0.000 0.914 153 L HN 0.353 nan 8.230 nan 0.000 0.443 154 G N -0.049 108.764 108.800 0.020 0.000 2.501 154 G HA2 -0.240 3.705 3.960 -0.024 0.000 0.220 154 G HA3 -0.240 3.705 3.960 -0.024 0.000 0.220 154 G C 1.539 176.413 174.900 -0.043 0.000 1.114 154 G CA 0.796 45.904 45.100 0.013 0.000 0.757 154 G HN 0.609 nan 8.290 nan 0.000 0.559 155 I N -3.109 117.348 120.570 -0.188 0.000 2.454 155 I HA -0.039 4.117 4.170 -0.024 0.000 0.254 155 I C 1.932 177.890 176.117 -0.266 0.000 1.156 155 I CA 1.064 62.192 61.300 -0.287 0.000 1.433 155 I CB -0.517 37.197 38.000 -0.478 0.000 1.082 155 I HN -0.002 nan 8.210 nan 0.000 0.432 156 F N 2.536 122.478 119.950 -0.013 0.000 2.615 156 F HA 0.419 4.938 4.527 -0.013 0.000 0.297 156 F C 1.395 177.346 175.800 0.252 0.000 1.124 156 F CA 0.443 58.460 58.000 0.027 0.000 1.451 156 F CB -0.313 38.496 39.000 -0.318 0.000 1.103 156 F HN 0.313 nan 8.300 nan 0.000 0.569 157 G N 0.438 109.409 108.800 0.285 0.000 3.101 157 G HA2 -0.089 3.856 3.960 -0.024 0.000 0.672 157 G HA3 -0.089 3.856 3.960 -0.024 0.000 0.672 157 G C 0.046 175.000 174.900 0.091 0.000 1.331 157 G CA -0.822 44.377 45.100 0.165 0.000 0.925 157 G HN 0.213 nan 8.290 nan 0.000 0.596 158 E N 0.524 120.725 120.200 0.001 0.000 2.347 158 E HA -0.073 4.263 4.350 -0.024 0.000 0.196 158 E C 2.144 178.723 176.600 -0.035 0.000 1.008 158 E CA 1.026 57.431 56.400 0.007 0.000 0.852 158 E CB 0.216 29.914 29.700 -0.004 0.000 0.783 158 E HN 0.703 nan 8.360 nan 0.000 0.505 159 E N 0.288 120.381 120.200 -0.179 0.000 2.511 159 E HA -0.151 4.184 4.350 -0.024 0.000 0.196 159 E C 0.340 176.855 176.600 -0.142 0.000 1.066 159 E CA 0.715 56.989 56.400 -0.210 0.000 0.871 159 E CB 0.021 29.531 29.700 -0.316 0.000 0.863 159 E HN 0.429 nan 8.360 nan 0.000 0.520 160 Y N 0.021 120.395 120.300 0.125 0.000 2.481 160 Y HA 0.298 4.835 4.550 -0.022 0.000 0.247 160 Y C 0.597 176.580 175.900 0.139 0.000 1.151 160 Y CA -0.734 57.458 58.100 0.153 0.000 1.238 160 Y CB 0.855 39.464 38.460 0.248 0.000 1.179 160 Y HN -0.193 nan 8.280 nan 0.000 0.524 161 V N 0.458 120.510 119.914 0.230 0.000 2.427 161 V HA 0.838 4.944 4.120 -0.024 0.000 0.286 161 V C 0.500 176.670 176.094 0.126 0.000 1.034 161 V CA -0.492 61.907 62.300 0.166 0.000 0.893 161 V CB 1.135 33.040 31.823 0.136 0.000 0.982 161 V HN 0.296 nan 8.190 nan 0.000 0.452 162 G N 3.113 111.983 108.800 0.118 0.000 2.733 162 G HA2 0.725 4.671 3.960 -0.024 0.000 0.288 162 G HA3 0.725 4.671 3.960 -0.024 0.000 0.288 162 G C -1.469 173.485 174.900 0.089 0.000 1.373 162 G CA -0.494 44.671 45.100 0.109 0.000 0.895 162 G HN 0.692 nan 8.290 nan 0.000 0.479 163 E N -0.717 119.536 120.200 0.090 0.000 2.246 163 E HA 0.544 4.880 4.350 -0.024 0.000 0.266 163 E C -2.098 174.575 176.600 0.122 0.000 0.880 163 E CA -0.799 55.645 56.400 0.074 0.000 0.762 163 E CB 2.080 31.801 29.700 0.035 0.000 1.180 163 E HN 0.237 nan 8.360 nan 0.000 0.416 164 F N 4.789 124.722 119.950 -0.029 0.000 2.382 164 F HA 0.426 4.954 4.527 0.001 0.000 0.361 164 F C -0.484 175.299 175.800 -0.029 0.000 1.109 164 F CA -0.103 57.889 58.000 -0.013 0.000 1.031 164 F CB 0.952 39.954 39.000 0.003 0.000 1.234 164 F HN 0.624 nan 8.300 nan 0.000 0.445 165 S N 2.555 118.139 115.700 -0.193 0.000 3.629 165 S HA 0.584 5.040 4.470 -0.024 0.000 0.319 165 S C 0.743 175.231 174.600 -0.188 0.000 1.149 165 S CA -0.027 58.111 58.200 -0.102 0.000 1.099 165 S CB 0.873 64.048 63.200 -0.041 0.000 1.433 165 S HN 0.547 nan 8.310 nan 0.000 0.736 166 G N -0.135 108.609 108.800 -0.094 0.000 2.796 166 G HA2 0.182 4.127 3.960 -0.024 0.000 0.210 166 G HA3 0.182 4.127 3.960 -0.024 0.000 0.210 166 G C 1.243 176.094 174.900 -0.083 0.000 1.146 166 G CA -0.208 44.841 45.100 -0.084 0.000 0.779 166 G HN 0.559 nan 8.290 nan 0.000 0.535 167 R N -0.981 119.474 120.500 -0.075 0.000 2.080 167 R HA 0.312 4.637 4.340 -0.024 0.000 0.222 167 R C -0.013 176.241 176.300 -0.077 0.000 1.107 167 R CA 0.516 56.581 56.100 -0.058 0.000 0.980 167 R CB 0.146 30.424 30.300 -0.036 0.000 0.879 167 R HN 0.388 nan 8.270 nan 0.000 0.439 168 I N -0.134 120.369 120.570 -0.111 0.000 2.841 168 I HA 0.159 4.314 4.170 -0.024 0.000 0.298 168 I C -1.709 174.273 176.117 -0.225 0.000 1.304 168 I CA -0.725 60.502 61.300 -0.121 0.000 1.019 168 I CB 2.233 40.196 38.000 -0.062 0.000 1.282 168 I HN -0.197 nan 8.210 nan 0.000 0.432 169 K N 6.073 126.316 120.400 -0.262 0.000 2.540 169 K HA 0.425 4.731 4.320 -0.024 0.000 0.218 169 K C -1.159 175.397 176.600 -0.073 0.000 1.017 169 K CA -0.430 55.575 56.287 -0.469 0.000 1.029 169 K CB 1.015 33.102 32.500 -0.688 0.000 1.348 169 K HN 0.540 nan 8.250 nan 0.000 0.508 170 E N 2.291 122.549 120.200 0.097 0.000 2.204 170 E HA 0.359 4.694 4.350 -0.024 0.000 0.276 170 E C -0.474 176.314 176.600 0.314 0.000 0.974 170 E CA -0.657 55.848 56.400 0.175 0.000 0.815 170 E CB 1.754 31.526 29.700 0.119 0.000 1.119 170 E HN 0.245 nan 8.360 nan 0.000 0.393 171 L N 3.828 125.188 121.223 0.227 0.000 2.445 171 L HA 0.339 4.665 4.340 -0.024 0.000 0.252 171 L C -0.417 176.531 176.870 0.130 0.000 1.105 171 L CA -0.575 54.382 54.840 0.195 0.000 0.943 171 L CB 0.063 42.185 42.059 0.105 0.000 1.277 171 L HN 0.281 nan 8.230 nan 0.000 0.465 172 K N 1.155 121.663 120.400 0.180 0.000 2.238 172 K HA 0.505 4.811 4.320 -0.024 0.000 0.239 172 K C -1.935 174.792 176.600 0.210 0.000 0.987 172 K CA -1.959 54.431 56.287 0.172 0.000 0.857 172 K CB 1.382 33.997 32.500 0.191 0.000 1.154 172 K HN -0.158 nan 8.250 nan 0.000 0.439 173 P HA -0.119 nan 4.420 nan 0.000 0.217 173 P C -0.088 177.353 177.300 0.236 0.000 1.151 173 P CA 1.341 64.548 63.100 0.177 0.000 0.849 173 P CB 0.214 31.976 31.700 0.104 0.000 0.787 174 L N -0.901 120.444 121.223 0.204 0.000 2.301 174 L HA 0.315 4.640 4.340 -0.024 0.000 0.278 174 L C -0.240 176.669 176.870 0.065 0.000 1.022 174 L CA -0.332 54.561 54.840 0.088 0.000 0.854 174 L CB 1.272 43.361 42.059 0.050 0.000 1.226 174 L HN -0.248 nan 8.230 nan 0.000 0.429 175 T N 2.216 116.746 114.554 -0.040 0.000 2.807 175 T HA 0.532 4.867 4.350 -0.024 0.000 0.279 175 T C -0.074 174.490 174.700 -0.226 0.000 0.993 175 T CA -0.417 61.637 62.100 -0.076 0.000 0.970 175 T CB 2.352 71.189 68.868 -0.053 0.000 0.950 175 T HN 0.108 nan 8.240 nan 0.000 0.441 176 V N 2.627 122.461 119.914 -0.134 0.000 2.483 176 V HA 0.831 4.937 4.120 -0.024 0.000 0.295 176 V C 0.129 176.137 176.094 -0.143 0.000 1.035 176 V CA -0.557 61.625 62.300 -0.196 0.000 0.896 176 V CB 1.677 33.438 31.823 -0.103 0.000 0.986 176 V HN 0.913 nan 8.190 nan 0.000 0.447 177 S N 2.360 117.924 115.700 -0.227 0.000 2.579 177 S HA 0.724 5.180 4.470 -0.024 0.000 0.272 177 S C -0.323 174.145 174.600 -0.221 0.000 1.141 177 S CA -0.146 57.970 58.200 -0.140 0.000 0.843 177 S CB 2.226 65.359 63.200 -0.112 0.000 1.122 177 S HN 1.049 nan 8.310 nan 0.000 0.468 178 T N 0.934 115.405 114.554 -0.138 0.000 2.902 178 T HA 0.448 4.784 4.350 -0.024 0.000 0.280 178 T C 0.797 175.360 174.700 -0.229 0.000 0.992 178 T CA -0.334 61.660 62.100 -0.177 0.000 1.015 178 T CB 0.339 69.168 68.868 -0.065 0.000 1.044 178 T HN 0.623 nan 8.240 nan 0.000 0.520 179 Y N 0.383 120.515 120.300 -0.279 0.000 2.207 179 Y HA -0.147 4.393 4.550 -0.016 0.000 0.287 179 Y C 2.563 178.249 175.900 -0.357 0.000 1.156 179 Y CA 1.766 59.559 58.100 -0.512 0.000 1.182 179 Y CB -0.222 37.542 38.460 -1.161 0.000 0.979 179 Y HN 0.689 nan 8.280 nan 0.000 0.521 180 D N -0.902 119.479 120.400 -0.032 0.000 2.117 180 D HA -0.132 4.494 4.640 -0.024 0.000 0.198 180 D C 2.194 178.641 176.300 0.245 0.000 0.982 180 D CA 1.569 55.701 54.000 0.219 0.000 0.828 180 D CB -0.190 40.721 40.800 0.185 0.000 0.967 180 D HN 0.252 nan 8.370 nan 0.000 0.464 181 S N 0.839 116.622 115.700 0.139 0.000 2.355 181 S HA -0.078 4.378 4.470 -0.024 0.000 0.222 181 S C 2.175 176.896 174.600 0.203 0.000 1.031 181 S CA 0.981 59.276 58.200 0.159 0.000 0.993 181 S CB -0.112 63.162 63.200 0.124 0.000 0.859 181 S HN 0.320 nan 8.310 nan 0.000 0.453 182 A N 0.443 123.343 122.820 0.134 0.000 1.972 182 A HA -0.105 4.201 4.320 -0.024 0.000 0.219 182 A C 1.935 179.608 177.584 0.148 0.000 1.169 182 A CA 1.454 53.540 52.037 0.081 0.000 0.635 182 A CB -0.810 18.160 19.000 -0.049 0.000 0.810 182 A HN 0.666 nan 8.150 nan 0.000 0.446 183 Y N 0.115 120.490 120.300 0.125 0.000 2.263 183 Y HA -0.074 4.456 4.550 -0.033 0.000 0.292 183 Y C 1.998 177.992 175.900 0.157 0.000 1.130 183 Y CA 1.702 59.912 58.100 0.183 0.000 1.179 183 Y CB -0.099 38.547 38.460 0.311 0.000 0.998 183 Y HN 0.033 nan 8.280 nan 0.000 0.532 184 V N 1.007 120.888 119.914 -0.055 0.000 2.809 184 V HA -0.216 3.890 4.120 -0.024 0.000 0.256 184 V C 0.306 176.362 176.094 -0.064 0.000 1.080 184 V CA 1.942 64.157 62.300 -0.141 0.000 1.102 184 V CB -0.680 31.184 31.823 0.069 0.000 0.705 184 V HN 0.448 nan 8.190 nan 0.000 0.475 185 N N -0.502 118.220 118.700 0.038 0.000 2.416 185 N HA 0.413 5.138 4.740 -0.024 0.000 0.267 185 N C 1.287 176.809 175.510 0.020 0.000 1.294 185 N CA 0.559 53.662 53.050 0.087 0.000 0.891 185 N CB 0.711 39.380 38.487 0.303 0.000 1.238 185 N HN 0.268 nan 8.380 nan 0.000 0.508 186 A N 0.731 123.543 122.820 -0.014 0.000 1.940 186 A HA -0.203 4.102 4.320 -0.024 0.000 0.219 186 A C 1.913 179.541 177.584 0.074 0.000 1.176 186 A CA 1.479 53.532 52.037 0.027 0.000 0.631 186 A CB -0.181 18.841 19.000 0.036 0.000 0.814 186 A HN 0.363 nan 8.150 nan 0.000 0.446 187 E N -0.829 119.418 120.200 0.078 0.000 2.112 187 E HA -0.108 4.227 4.350 -0.024 0.000 0.190 187 E C 2.064 178.758 176.600 0.157 0.000 0.979 187 E CA 0.752 57.258 56.400 0.176 0.000 0.814 187 E CB -0.034 29.730 29.700 0.107 0.000 0.762 187 E HN 0.313 nan 8.360 nan 0.000 0.460 188 K N 0.947 121.387 120.400 0.065 0.000 2.057 188 K HA -0.062 4.243 4.320 -0.024 0.000 0.206 188 K C 1.945 178.487 176.600 -0.097 0.000 1.050 188 K CA 0.956 57.254 56.287 0.019 0.000 0.935 188 K CB -0.099 32.441 32.500 0.067 0.000 0.715 188 K HN 0.173 nan 8.250 nan 0.000 0.439 189 L N -0.411 120.734 121.223 -0.131 0.000 2.395 189 L HA 0.026 4.352 4.340 -0.024 0.000 0.218 189 L C 2.352 179.162 176.870 -0.100 0.000 1.130 189 L CA 0.600 55.357 54.840 -0.139 0.000 0.826 189 L CB -0.596 41.381 42.059 -0.136 0.000 0.941 189 L HN 0.211 nan 8.230 nan 0.000 0.451 190 G N 1.808 110.542 108.800 -0.111 0.000 2.547 190 G HA2 -0.350 3.596 3.960 -0.024 0.000 0.221 190 G HA3 -0.350 3.596 3.960 -0.024 0.000 0.221 190 G C 1.029 175.623 174.900 -0.509 0.000 1.140 190 G CA 1.512 46.505 45.100 -0.179 0.000 0.760 190 G HN 0.746 nan 8.290 nan 0.000 0.583 191 N N -1.675 116.534 118.700 -0.819 0.000 2.235 191 N HA 0.202 4.928 4.740 -0.024 0.000 0.231 191 N C 1.296 176.499 175.510 -0.512 0.000 1.177 191 N CA -0.535 52.072 53.050 -0.738 0.000 0.874 191 N CB 0.412 38.325 38.487 -0.957 0.000 1.097 191 N HN -0.008 nan 8.380 nan 0.000 0.518 192 R N 0.059 120.237 120.500 -0.538 0.000 2.265 192 R HA 0.255 4.581 4.340 -0.024 0.000 0.194 192 R C -0.604 175.136 176.300 -0.933 0.000 0.931 192 R CA 0.185 55.824 56.100 -0.769 0.000 1.032 192 R CB -0.232 29.448 30.300 -1.034 0.000 0.980 192 R HN 0.182 nan 8.270 nan 0.000 0.497 193 F N -0.793 119.042 119.950 -0.192 0.000 2.561 193 F HA 0.399 4.899 4.527 -0.045 0.000 0.321 193 F C 1.433 177.166 175.800 -0.112 0.000 1.065 193 F CA -0.840 57.077 58.000 -0.139 0.000 0.934 193 F CB 1.265 40.175 39.000 -0.149 0.000 1.215 193 F HN -0.367 nan 8.300 nan 0.000 0.471 194 M N 1.460 121.142 119.600 0.137 0.000 2.491 194 M HA 0.300 4.766 4.480 -0.024 0.000 0.259 194 M C -0.460 175.945 176.300 0.175 0.000 1.163 194 M CA 0.648 56.002 55.300 0.089 0.000 1.109 194 M CB 0.725 33.400 32.600 0.125 0.000 1.353 194 M HN 0.400 nan 8.290 nan 0.000 0.500 195 L N 1.434 122.785 121.223 0.213 0.000 2.381 195 L HA 0.532 4.857 4.340 -0.024 0.000 0.274 195 L C -1.748 175.138 176.870 0.026 0.000 0.988 195 L CA -0.458 54.517 54.840 0.225 0.000 0.824 195 L CB 2.131 44.338 42.059 0.246 0.000 1.263 195 L HN 0.067 nan 8.230 nan 0.000 0.410 196 L N 5.931 127.151 121.223 -0.006 0.000 2.313 196 L HA 0.565 4.891 4.340 -0.024 0.000 0.283 196 L C -0.610 176.069 176.870 -0.317 0.000 1.013 196 L CA -0.441 54.238 54.840 -0.267 0.000 0.816 196 L CB 2.158 44.080 42.059 -0.228 0.000 1.236 196 L HN 0.509 nan 8.230 nan 0.000 0.419 197 I N 2.811 123.055 120.570 -0.543 0.000 2.406 197 I HA 0.340 4.495 4.170 -0.024 0.000 0.290 197 I C -1.058 174.673 176.117 -0.644 0.000 0.999 197 I CA -0.355 60.675 61.300 -0.451 0.000 1.124 197 I CB 1.869 39.596 38.000 -0.455 0.000 1.289 197 I HN 0.357 nan 8.210 nan 0.000 0.441 198 F N 3.916 123.774 119.950 -0.153 0.000 2.332 198 F HA 0.254 4.802 4.527 0.035 0.000 0.368 198 F C 0.373 176.159 175.800 -0.022 0.000 1.110 198 F CA -0.701 57.240 58.000 -0.099 0.000 1.087 198 F CB 0.729 39.776 39.000 0.078 0.000 1.235 198 F HN 0.356 nan 8.300 nan 0.000 0.470 199 D N 3.990 124.411 120.400 0.034 0.000 2.312 199 D HA 0.103 4.729 4.640 -0.024 0.000 0.252 199 D C 0.103 176.591 176.300 0.313 0.000 1.150 199 D CA 0.478 54.587 54.000 0.182 0.000 0.870 199 D CB 0.431 41.348 40.800 0.195 0.000 1.153 199 D HN 0.683 nan 8.370 nan 0.000 0.457 200 E N 1.742 122.126 120.200 0.308 0.000 2.264 200 E HA -0.170 4.166 4.350 -0.024 0.000 0.223 200 E C 0.688 177.381 176.600 0.154 0.000 1.220 200 E CA -0.028 56.530 56.400 0.264 0.000 0.692 200 E CB -1.247 28.592 29.700 0.231 0.000 1.203 200 E HN 0.335 nan 8.360 nan 0.000 0.384 201 V N 1.432 121.507 119.914 0.268 0.000 2.982 201 V HA -0.268 3.837 4.120 -0.024 0.000 0.265 201 V C 2.330 178.457 176.094 0.055 0.000 1.122 201 V CA 2.428 64.852 62.300 0.208 0.000 1.143 201 V CB -0.616 31.353 31.823 0.243 0.000 0.726 201 V HN 0.618 nan 8.190 nan 0.000 0.507 202 H N -2.156 116.903 119.070 -0.017 0.000 2.521 202 H HA -0.118 4.425 4.556 -0.021 0.000 0.286 202 H C 1.818 177.031 175.328 -0.191 0.000 1.034 202 H CA 1.532 57.505 56.048 -0.125 0.000 1.278 202 H CB -0.511 29.146 29.762 -0.176 0.000 1.386 202 H HN 0.617 nan 8.280 nan 0.000 0.567 203 H N 0.217 118.985 119.070 -0.503 0.000 2.470 203 H HA -0.010 4.529 4.556 -0.028 0.000 0.289 203 H C 2.251 177.339 175.328 -0.400 0.000 1.033 203 H CA 0.573 56.318 56.048 -0.505 0.000 1.331 203 H CB 0.126 29.381 29.762 -0.845 0.000 1.414 203 H HN 0.263 nan 8.280 nan 0.000 0.545 204 L N 1.976 123.023 121.223 -0.293 0.000 2.043 204 L HA -0.089 4.237 4.340 -0.024 0.000 0.212 204 L C -0.861 175.947 176.870 -0.103 0.000 1.075 204 L CA 1.690 56.408 54.840 -0.202 0.000 0.752 204 L CB -1.191 40.649 42.059 -0.365 0.000 0.891 204 L HN 0.072 nan 8.230 nan 0.000 0.432 205 P HA -0.107 nan 4.420 nan 0.000 0.222 205 P C 0.109 177.348 177.300 -0.101 0.000 1.142 205 P CA 1.136 64.179 63.100 -0.095 0.000 0.788 205 P CB -0.319 31.330 31.700 -0.085 0.000 0.767 206 A N 0.478 123.227 122.820 -0.119 0.000 2.587 206 A HA -0.163 4.142 4.320 -0.024 0.000 0.233 206 A C 1.645 179.109 177.584 -0.201 0.000 1.049 206 A CA 0.395 52.297 52.037 -0.226 0.000 0.754 206 A CB -0.161 18.545 19.000 -0.489 0.000 0.977 206 A HN 0.186 nan 8.150 nan 0.000 0.509 207 E N 0.948 121.035 120.200 -0.188 0.000 2.273 207 E HA -0.201 4.134 4.350 -0.024 0.000 0.198 207 E C 1.899 178.425 176.600 -0.122 0.000 1.002 207 E CA 1.580 57.904 56.400 -0.127 0.000 0.828 207 E CB 0.026 29.664 29.700 -0.104 0.000 0.747 207 E HN 0.902 nan 8.360 nan 0.000 0.491 208 S N -0.458 115.078 115.700 -0.273 0.000 2.346 208 S HA -0.064 4.392 4.470 -0.024 0.000 0.204 208 S C 1.905 176.439 174.600 -0.109 0.000 1.008 208 S CA 0.098 58.094 58.200 -0.340 0.000 0.925 208 S CB -1.081 61.571 63.200 -0.914 0.000 0.903 208 S HN 0.340 nan 8.310 nan 0.000 0.537 209 Y N 1.531 121.690 120.300 -0.234 0.000 2.172 209 Y HA -0.214 4.323 4.550 -0.021 0.000 0.280 209 Y C 2.860 178.805 175.900 0.075 0.000 1.209 209 Y CA 0.762 58.864 58.100 0.003 0.000 1.171 209 Y CB -0.497 37.928 38.460 -0.058 0.000 0.965 209 Y HN 0.275 nan 8.280 nan 0.000 0.520 210 V N 0.485 120.479 119.914 0.132 0.000 2.688 210 V HA -0.318 3.787 4.120 -0.024 0.000 0.256 210 V C 1.779 177.924 176.094 0.085 0.000 1.084 210 V CA 1.962 64.283 62.300 0.034 0.000 1.103 210 V CB -0.328 31.472 31.823 -0.039 0.000 0.688 210 V HN 0.491 nan 8.190 nan 0.000 0.480 211 Q N -0.694 119.220 119.800 0.189 0.000 2.369 211 Q HA -0.031 4.295 4.340 -0.024 0.000 0.206 211 Q C 2.003 178.145 176.000 0.237 0.000 0.963 211 Q CA 1.405 57.336 55.803 0.214 0.000 0.894 211 Q CB -0.087 28.820 28.738 0.282 0.000 0.965 211 Q HN 0.717 nan 8.270 nan 0.000 0.475 212 I N 0.064 120.813 120.570 0.298 0.000 2.142 212 I HA -0.281 3.874 4.170 -0.024 0.000 0.240 212 I C 2.363 178.638 176.117 0.262 0.000 1.078 212 I CA 1.130 62.603 61.300 0.288 0.000 1.343 212 I CB -0.419 37.807 38.000 0.378 0.000 1.046 212 I HN 0.159 nan 8.210 nan 0.000 0.405 213 A N 0.366 123.339 122.820 0.256 0.000 1.873 213 A HA -0.229 4.077 4.320 -0.024 0.000 0.215 213 A C 2.279 179.950 177.584 0.144 0.000 1.186 213 A CA 1.482 53.644 52.037 0.209 0.000 0.616 213 A CB -0.650 18.395 19.000 0.075 0.000 0.823 213 A HN 0.482 nan 8.150 nan 0.000 0.442 214 Q N -0.833 119.013 119.800 0.077 0.000 2.084 214 Q HA -0.021 4.305 4.340 -0.024 0.000 0.202 214 Q C 1.734 177.953 176.000 0.365 0.000 0.978 214 Q CA 1.425 57.362 55.803 0.222 0.000 0.844 214 Q CB -0.255 28.578 28.738 0.157 0.000 0.898 214 Q HN 0.656 nan 8.270 nan 0.000 0.426 215 M N 0.399 120.147 119.600 0.247 0.000 2.633 215 M HA 0.069 4.534 4.480 -0.024 0.000 0.226 215 M C 0.306 176.773 176.300 0.279 0.000 1.137 215 M CA 0.027 55.469 55.300 0.236 0.000 1.020 215 M CB 0.451 33.161 32.600 0.184 0.000 1.675 215 M HN -0.085 nan 8.290 nan 0.000 0.500 216 S N 0.533 116.386 115.700 0.255 0.000 2.501 216 S HA 0.422 4.878 4.470 -0.024 0.000 0.301 216 S C 0.808 175.510 174.600 0.170 0.000 1.096 216 S CA -0.906 57.404 58.200 0.184 0.000 1.063 216 S CB 1.161 64.456 63.200 0.158 0.000 1.042 216 S HN 0.431 nan 8.310 nan 0.000 0.494 217 I N 2.626 123.216 120.570 0.032 0.000 2.876 217 I HA 0.399 4.555 4.170 -0.024 0.000 0.264 217 I C 1.126 177.264 176.117 0.035 0.000 1.204 217 I CA 0.009 61.280 61.300 -0.049 0.000 1.485 217 I CB -0.694 36.998 38.000 -0.514 0.000 1.103 217 I HN 0.648 nan 8.210 nan 0.000 0.446 218 A N 4.222 127.054 122.820 0.020 0.000 2.538 218 A HA -0.039 4.266 4.320 -0.024 0.000 0.280 218 A C -1.072 176.534 177.584 0.036 0.000 0.987 218 A CA -0.195 51.864 52.037 0.037 0.000 0.992 218 A CB -0.803 18.248 19.000 0.084 0.000 0.841 218 A HN 0.420 nan 8.150 nan 0.000 0.478 219 P HA -0.056 nan 4.420 nan 0.000 0.219 219 P C 0.061 177.223 177.300 -0.229 0.000 1.150 219 P CA 0.974 63.902 63.100 -0.286 0.000 0.814 219 P CB 0.038 31.344 31.700 -0.656 0.000 0.787 220 F N 1.223 121.286 119.950 0.188 0.000 2.404 220 F HA 0.459 4.964 4.527 -0.036 0.000 0.339 220 F C 1.211 177.191 175.800 0.301 0.000 1.105 220 F CA -0.908 57.231 58.000 0.231 0.000 1.087 220 F CB 0.881 40.035 39.000 0.257 0.000 1.143 220 F HN -0.257 nan 8.300 nan 0.000 0.491 221 R N 2.862 123.719 120.500 0.595 0.000 2.651 221 R HA 0.768 5.094 4.340 -0.024 0.000 0.278 221 R C -2.107 174.555 176.300 0.604 0.000 1.010 221 R CA -1.151 55.239 56.100 0.483 0.000 0.896 221 R CB 2.691 33.226 30.300 0.392 0.000 1.211 221 R HN 0.549 nan 8.270 nan 0.000 0.456 222 L N 0.473 121.895 121.223 0.331 0.000 2.436 222 L HA 0.720 5.045 4.340 -0.024 0.000 0.268 222 L C -0.897 176.076 176.870 0.171 0.000 0.974 222 L CA -0.063 54.855 54.840 0.130 0.000 0.826 222 L CB 2.395 44.204 42.059 -0.417 0.000 1.291 222 L HN 0.801 nan 8.230 nan 0.000 0.406 223 G N 5.306 114.224 108.800 0.197 0.000 2.470 223 G HA2 0.642 4.588 3.960 -0.024 0.000 0.320 223 G HA3 0.642 4.588 3.960 -0.024 0.000 0.320 223 G C -1.502 173.497 174.900 0.165 0.000 1.245 223 G CA -0.554 44.694 45.100 0.246 0.000 0.935 223 G HN 0.604 nan 8.290 nan 0.000 0.476 224 L N 1.413 122.747 121.223 0.186 0.000 2.329 224 L HA 0.856 5.182 4.340 -0.024 0.000 0.279 224 L C 0.250 177.245 176.870 0.208 0.000 1.014 224 L CA -0.682 54.255 54.840 0.162 0.000 0.814 224 L CB 2.461 44.624 42.059 0.174 0.000 1.257 224 L HN 0.619 nan 8.230 nan 0.000 0.424 225 T N 0.242 114.899 114.554 0.172 0.000 2.831 225 T HA 0.464 4.799 4.350 -0.024 0.000 0.333 225 T C -0.127 174.628 174.700 0.092 0.000 1.684 225 T CA 0.346 62.555 62.100 0.182 0.000 1.049 225 T CB 1.499 70.524 68.868 0.262 0.000 1.518 225 T HN 0.617 nan 8.240 nan 0.000 0.491 226 A N 1.358 124.203 122.820 0.041 0.000 2.115 226 A HA 0.465 4.771 4.320 -0.024 0.000 0.211 226 A C 0.622 178.166 177.584 -0.067 0.000 1.169 226 A CA 0.716 52.746 52.037 -0.013 0.000 0.787 226 A CB 0.158 19.153 19.000 -0.009 0.000 0.858 226 A HN 0.851 nan 8.150 nan 0.000 0.474 227 T N -1.610 112.880 114.554 -0.108 0.000 2.965 227 T HA 0.401 4.736 4.350 -0.024 0.000 0.306 227 T C 0.087 174.754 174.700 -0.056 0.000 0.991 227 T CA -0.494 61.527 62.100 -0.132 0.000 1.001 227 T CB 1.085 69.809 68.868 -0.240 0.000 0.984 227 T HN 0.227 nan 8.240 nan 0.000 0.446 228 F N 2.570 122.423 119.950 -0.161 0.000 2.123 228 F HA 0.094 4.603 4.527 -0.031 0.000 0.289 228 F C 1.155 176.829 175.800 -0.211 0.000 1.099 228 F CA 0.132 58.064 58.000 -0.113 0.000 1.234 228 F CB 0.247 39.204 39.000 -0.072 0.000 1.034 228 F HN 0.438 nan 8.300 nan 0.000 0.479 229 E N 2.694 122.605 120.200 -0.481 0.000 2.413 229 E HA 0.059 4.394 4.350 -0.024 0.000 0.263 229 E C -0.689 175.553 176.600 -0.597 0.000 1.015 229 E CA 0.161 55.938 56.400 -1.039 0.000 0.916 229 E CB 0.600 29.897 29.700 -0.671 0.000 0.947 229 E HN 0.441 nan 8.360 nan 0.000 0.440 230 R N 1.131 121.322 120.500 -0.514 0.000 2.732 230 R HA 0.134 4.460 4.340 -0.024 0.000 0.278 230 R C 0.844 177.094 176.300 -0.084 0.000 0.976 230 R CA -0.774 55.225 56.100 -0.168 0.000 0.963 230 R CB 1.215 31.484 30.300 -0.051 0.000 1.150 230 R HN 0.496 nan 8.270 nan 0.000 0.478 231 E N 1.568 121.731 120.200 -0.061 0.000 2.533 231 E HA -0.123 4.212 4.350 -0.024 0.000 0.201 231 E C -0.134 176.457 176.600 -0.014 0.000 1.097 231 E CA 0.884 57.263 56.400 -0.036 0.000 0.887 231 E CB 0.211 29.891 29.700 -0.033 0.000 0.855 231 E HN 0.507 nan 8.360 nan 0.000 0.540 232 D N -2.647 117.752 120.400 -0.002 0.000 2.527 232 D HA 0.097 4.722 4.640 -0.024 0.000 0.224 232 D C 1.298 177.605 176.300 0.012 0.000 1.217 232 D CA 0.537 54.535 54.000 -0.003 0.000 0.819 232 D CB -0.009 40.780 40.800 -0.019 0.000 1.061 232 D HN 0.080 nan 8.370 nan 0.000 0.515 233 G N 1.713 110.559 108.800 0.076 0.000 2.322 233 G HA2 -0.476 3.470 3.960 -0.024 0.000 0.264 233 G HA3 -0.476 3.470 3.960 -0.024 0.000 0.264 233 G C 1.372 176.215 174.900 -0.095 0.000 0.992 233 G CA 0.521 45.664 45.100 0.071 0.000 0.624 233 G HN 0.417 nan 8.290 nan 0.000 0.543 234 R N 0.585 121.056 120.500 -0.048 0.000 2.316 234 R HA -0.136 4.189 4.340 -0.024 0.000 0.232 234 R C 2.055 178.257 176.300 -0.163 0.000 1.137 234 R CA 1.365 57.402 56.100 -0.104 0.000 1.012 234 R CB -0.549 29.710 30.300 -0.069 0.000 0.859 234 R HN 0.904 nan 8.270 nan 0.000 0.474 235 H N -0.300 118.637 119.070 -0.222 0.000 2.568 235 H HA 0.050 4.590 4.556 -0.026 0.000 0.275 235 H C 0.766 175.923 175.328 -0.285 0.000 1.028 235 H CA 0.401 56.232 56.048 -0.362 0.000 1.173 235 H CB 0.111 29.467 29.762 -0.676 0.000 1.335 235 H HN 0.191 nan 8.280 nan 0.000 0.614 236 E N 1.219 121.067 120.200 -0.586 0.000 2.318 236 E HA -0.009 4.327 4.350 -0.024 0.000 0.193 236 E C 2.314 178.817 176.600 -0.163 0.000 0.998 236 E CA 0.562 56.729 56.400 -0.387 0.000 0.859 236 E CB 0.241 29.741 29.700 -0.332 0.000 0.812 236 E HN 0.745 nan 8.360 nan 0.000 0.492 237 I N -1.900 118.584 120.570 -0.143 0.000 2.928 237 I HA -0.105 4.051 4.170 -0.024 0.000 0.266 237 I C 2.060 178.133 176.117 -0.074 0.000 1.234 237 I CA 0.502 61.744 61.300 -0.096 0.000 1.483 237 I CB -0.325 37.614 38.000 -0.103 0.000 1.097 237 I HN -0.046 nan 8.210 nan 0.000 0.455 238 L N 1.517 122.719 121.223 -0.035 0.000 2.012 238 L HA -0.194 4.132 4.340 -0.024 0.000 0.210 238 L C 2.774 179.690 176.870 0.076 0.000 1.073 238 L CA 1.733 56.596 54.840 0.038 0.000 0.748 238 L CB -0.751 41.419 42.059 0.185 0.000 0.891 238 L HN 0.236 nan 8.230 nan 0.000 0.431 239 K N -0.037 120.434 120.400 0.118 0.000 2.052 239 K HA -0.321 3.985 4.320 -0.024 0.000 0.215 239 K C 2.013 178.660 176.600 0.078 0.000 1.053 239 K CA 2.276 58.634 56.287 0.117 0.000 0.934 239 K CB -0.328 32.234 32.500 0.104 0.000 0.717 239 K HN 0.379 nan 8.250 nan 0.000 0.450 240 E N 0.623 120.846 120.200 0.037 0.000 2.016 240 E HA -0.160 4.176 4.350 -0.024 0.000 0.190 240 E C 2.140 178.713 176.600 -0.044 0.000 0.985 240 E CA 1.453 57.878 56.400 0.041 0.000 0.802 240 E CB 0.161 29.881 29.700 0.034 0.000 0.762 240 E HN 0.256 nan 8.360 nan 0.000 0.448 241 V N -1.530 118.238 119.914 -0.242 0.000 2.323 241 V HA -0.107 3.998 4.120 -0.024 0.000 0.244 241 V C 2.029 178.072 176.094 -0.085 0.000 1.041 241 V CA 1.411 63.457 62.300 -0.424 0.000 1.025 241 V CB -0.379 31.155 31.823 -0.481 0.000 0.656 241 V HN 0.145 nan 8.190 nan 0.000 0.451 242 V N 0.433 120.350 119.914 0.005 0.000 2.635 242 V HA 0.757 4.863 4.120 -0.024 0.000 0.233 242 V C 1.200 177.398 176.094 0.173 0.000 1.097 242 V CA 1.183 63.563 62.300 0.134 0.000 1.134 242 V CB -0.345 31.557 31.823 0.132 0.000 0.841 242 V HN 1.009 nan 8.190 nan 0.000 0.496 243 G N -1.561 107.334 108.800 0.158 0.000 2.337 243 G HA2 0.475 4.421 3.960 -0.024 0.000 0.298 243 G HA3 0.475 4.421 3.960 -0.024 0.000 0.298 243 G C -0.670 174.328 174.900 0.163 0.000 1.335 243 G CA -0.228 44.965 45.100 0.155 0.000 0.875 243 G HN 0.646 nan 8.290 nan 0.000 0.579 244 G N -0.921 107.949 108.800 0.116 0.000 2.601 244 G HA2 0.630 4.576 3.960 -0.024 0.000 0.317 244 G HA3 0.630 4.576 3.960 -0.024 0.000 0.317 244 G C -0.235 174.589 174.900 -0.127 0.000 1.246 244 G CA -0.865 44.278 45.100 0.072 0.000 1.012 244 G HN 0.670 nan 8.290 nan 0.000 0.494 245 K N -0.018 120.145 120.400 -0.396 0.000 2.472 245 K HA 0.092 4.398 4.320 -0.024 0.000 0.280 245 K C 0.961 177.511 176.600 -0.083 0.000 1.028 245 K CA 0.062 56.136 56.287 -0.355 0.000 1.045 245 K CB 1.283 33.530 32.500 -0.421 0.000 0.902 245 K HN 0.335 nan 8.250 nan 0.000 0.478 246 V N -0.052 119.881 119.914 0.032 0.000 3.528 246 V HA 0.353 4.459 4.120 -0.024 0.000 0.294 246 V C -0.127 176.100 176.094 0.223 0.000 1.404 246 V CA -0.141 62.231 62.300 0.121 0.000 1.065 246 V CB -0.611 31.319 31.823 0.179 0.000 0.904 246 V HN 0.676 nan 8.190 nan 0.000 0.435 247 F N 0.348 120.287 119.950 -0.018 0.000 2.690 247 F HA 0.687 5.199 4.527 -0.025 0.000 0.311 247 F C -1.157 174.606 175.800 -0.063 0.000 1.111 247 F CA -0.496 57.497 58.000 -0.012 0.000 1.003 247 F CB 1.555 40.573 39.000 0.030 0.000 1.283 247 F HN 0.181 nan 8.300 nan 0.000 0.442 248 E N 5.498 125.346 120.200 -0.586 0.000 2.390 248 E HA 0.730 5.066 4.350 -0.024 0.000 0.280 248 E C -2.254 174.070 176.600 -0.460 0.000 0.992 248 E CA -0.701 55.483 56.400 -0.361 0.000 0.790 248 E CB 2.355 31.846 29.700 -0.348 0.000 1.248 248 E HN 0.740 nan 8.360 nan 0.000 0.447 249 L N 3.362 124.411 121.223 -0.290 0.000 2.611 249 L HA 0.424 4.750 4.340 -0.024 0.000 0.260 249 L C -1.134 175.641 176.870 -0.157 0.000 0.924 249 L CA -0.709 54.049 54.840 -0.136 0.000 0.901 249 L CB 1.453 43.531 42.059 0.033 0.000 1.369 249 L HN 0.531 nan 8.230 nan 0.000 0.415 250 F N 2.057 121.988 119.950 -0.032 0.000 2.370 250 F HA 0.381 4.896 4.527 -0.020 0.000 0.324 250 F C -1.273 174.515 175.800 -0.021 0.000 1.116 250 F CA -1.563 56.425 58.000 -0.020 0.000 1.123 250 F CB 0.328 39.313 39.000 -0.026 0.000 1.238 250 F HN 0.311 nan 8.300 nan 0.000 0.536 251 P HA -0.237 nan 4.420 nan 0.000 0.216 251 P C 1.172 178.513 177.300 0.067 0.000 1.157 251 P CA 1.897 65.048 63.100 0.085 0.000 0.880 251 P CB -0.080 31.661 31.700 0.069 0.000 0.791 252 D N -1.041 119.403 120.400 0.073 0.000 2.357 252 D HA -0.119 4.507 4.640 -0.024 0.000 0.216 252 D C 1.113 177.429 176.300 0.025 0.000 0.973 252 D CA 1.193 55.210 54.000 0.028 0.000 0.912 252 D CB -0.642 40.154 40.800 -0.007 0.000 0.900 252 D HN 0.158 nan 8.370 nan 0.000 0.501 253 S N -0.496 115.236 115.700 0.053 0.000 2.470 253 S HA 0.086 4.541 4.470 -0.024 0.000 0.222 253 S C 1.724 176.330 174.600 0.010 0.000 1.024 253 S CA -0.202 58.021 58.200 0.038 0.000 0.931 253 S CB 0.149 63.394 63.200 0.075 0.000 0.791 253 S HN 0.111 nan 8.310 nan 0.000 0.513 254 L N 1.782 122.998 121.223 -0.012 0.000 2.395 254 L HA 0.262 4.588 4.340 -0.024 0.000 0.218 254 L C 2.423 179.319 176.870 0.044 0.000 1.130 254 L CA 0.678 55.492 54.840 -0.043 0.000 0.826 254 L CB -1.138 40.848 42.059 -0.122 0.000 0.941 254 L HN 0.260 nan 8.230 nan 0.000 0.451 255 A N 0.223 123.054 122.820 0.018 0.000 1.986 255 A HA -0.057 4.249 4.320 -0.024 0.000 0.220 255 A C 1.682 179.267 177.584 0.002 0.000 1.171 255 A CA 1.131 53.172 52.037 0.006 0.000 0.640 255 A CB -1.396 17.604 19.000 0.001 0.000 0.811 255 A HN 0.379 nan 8.150 nan 0.000 0.451 256 G N -0.380 108.435 108.800 0.026 0.000 2.391 256 G HA2 0.250 4.195 3.960 -0.024 0.000 0.234 256 G HA3 0.250 4.195 3.960 -0.024 0.000 0.234 256 G C 0.103 174.992 174.900 -0.018 0.000 1.284 256 G CA -0.440 44.672 45.100 0.021 0.000 0.873 256 G HN 0.480 nan 8.290 nan 0.000 0.549 257 K N 2.191 122.562 120.400 -0.048 0.000 2.989 257 K HA 0.016 4.321 4.320 -0.024 0.000 0.264 257 K C 0.724 177.262 176.600 -0.102 0.000 1.228 257 K CA -0.109 56.109 56.287 -0.115 0.000 1.186 257 K CB -0.514 31.946 32.500 -0.067 0.000 1.409 257 K HN 0.833 nan 8.250 nan 0.000 0.271 258 H N -1.086 117.978 119.070 -0.009 0.000 2.765 258 H HA -0.075 4.467 4.556 -0.023 0.000 0.385 258 H C 1.568 176.912 175.328 0.026 0.000 1.562 258 H CA -0.578 55.474 56.048 0.006 0.000 1.473 258 H CB 0.350 30.103 29.762 -0.015 0.000 1.536 258 H HN 0.009 nan 8.280 nan 0.000 0.610 259 L N 0.416 121.851 121.223 0.355 0.000 2.156 259 L HA -0.434 3.892 4.340 -0.024 0.000 0.248 259 L C 1.815 178.802 176.870 0.195 0.000 1.108 259 L CA 3.198 58.198 54.840 0.267 0.000 0.842 259 L CB -1.848 40.343 42.059 0.221 0.000 0.950 259 L HN 1.253 nan 8.230 nan 0.000 0.441 260 A N -1.347 121.617 122.820 0.241 0.000 2.765 260 A HA -0.316 3.990 4.320 -0.024 0.000 0.286 260 A C 1.426 179.052 177.584 0.070 0.000 1.457 260 A CA 1.950 54.051 52.037 0.107 0.000 0.899 260 A CB -1.760 17.218 19.000 -0.037 0.000 0.983 260 A HN 0.779 nan 8.150 nan 0.000 0.584 261 K N -2.206 118.273 120.400 0.133 0.000 2.354 261 K HA 0.361 4.667 4.320 -0.024 0.000 0.194 261 K C 0.281 177.029 176.600 0.246 0.000 1.038 261 K CA 0.977 57.362 56.287 0.164 0.000 1.052 261 K CB 0.372 32.981 32.500 0.180 0.000 0.861 261 K HN 1.047 nan 8.250 nan 0.000 0.535 262 Y N -1.488 118.821 120.300 0.015 0.000 2.689 262 Y HA 0.418 4.955 4.550 -0.023 0.000 0.333 262 Y C -1.108 174.774 175.900 -0.030 0.000 1.208 262 Y CA -1.363 56.729 58.100 -0.014 0.000 1.055 262 Y CB 1.138 39.585 38.460 -0.022 0.000 1.304 262 Y HN -0.090 nan 8.280 nan 0.000 0.455 263 T N 0.106 114.584 114.554 -0.127 0.000 2.906 263 T HA 0.792 5.127 4.350 -0.024 0.000 0.295 263 T C -1.149 173.467 174.700 -0.140 0.000 1.075 263 T CA -0.791 61.160 62.100 -0.249 0.000 1.005 263 T CB 1.808 70.572 68.868 -0.173 0.000 1.136 263 T HN 0.765 nan 8.240 nan 0.000 0.498 264 I N 1.472 121.936 120.570 -0.178 0.000 2.474 264 I HA 0.486 4.642 4.170 -0.024 0.000 0.294 264 I C -0.293 175.745 176.117 -0.132 0.000 1.005 264 I CA -1.004 60.235 61.300 -0.102 0.000 1.113 264 I CB 2.004 39.971 38.000 -0.055 0.000 1.289 264 I HN 0.574 nan 8.210 nan 0.000 0.436 265 K N 6.842 127.147 120.400 -0.159 0.000 2.705 265 K HA 0.354 4.659 4.320 -0.024 0.000 0.238 265 K C -0.960 175.611 176.600 -0.048 0.000 0.996 265 K CA -0.751 55.467 56.287 -0.115 0.000 1.007 265 K CB 1.748 34.135 32.500 -0.190 0.000 1.206 265 K HN 0.646 nan 8.250 nan 0.000 0.488 266 R N 2.187 122.671 120.500 -0.028 0.000 2.390 266 R HA 0.474 4.800 4.340 -0.024 0.000 0.291 266 R C -0.434 175.797 176.300 -0.114 0.000 1.070 266 R CA -0.447 55.587 56.100 -0.109 0.000 1.014 266 R CB 0.414 30.576 30.300 -0.230 0.000 1.007 266 R HN 0.331 nan 8.270 nan 0.000 0.466 267 I N 2.955 123.439 120.570 -0.143 0.000 2.412 267 I HA 0.303 4.459 4.170 -0.024 0.000 0.296 267 I C -0.716 175.263 176.117 -0.230 0.000 0.987 267 I CA -0.841 60.438 61.300 -0.034 0.000 1.180 267 I CB 1.270 39.310 38.000 0.067 0.000 1.340 267 I HN 0.493 nan 8.210 nan 0.000 0.455 268 F N 5.839 125.807 119.950 0.029 0.000 2.427 268 F HA 0.507 5.024 4.527 -0.017 0.000 0.346 268 F C 0.126 175.899 175.800 -0.045 0.000 1.120 268 F CA -0.926 57.054 58.000 -0.033 0.000 1.033 268 F CB 1.618 40.582 39.000 -0.061 0.000 1.126 268 F HN 0.121 nan 8.300 nan 0.000 0.462 269 V N 2.782 122.723 119.914 0.045 0.000 2.409 269 V HA 0.720 4.826 4.120 -0.024 0.000 0.291 269 V C -2.965 173.108 176.094 -0.034 0.000 1.020 269 V CA -2.713 59.595 62.300 0.014 0.000 0.848 269 V CB 1.554 33.374 31.823 -0.005 0.000 0.990 269 V HN 0.431 nan 8.190 nan 0.000 0.430 270 P HA 0.440 nan 4.420 nan 0.000 0.276 270 P C -0.426 176.847 177.300 -0.044 0.000 1.244 270 P CA -0.480 62.581 63.100 -0.064 0.000 0.801 270 P CB 0.704 32.399 31.700 -0.009 0.000 1.006 271 L N 0.772 121.957 121.223 -0.064 0.000 2.417 271 L HA 0.463 4.789 4.340 -0.024 0.000 0.268 271 L C 0.938 177.805 176.870 -0.005 0.000 1.158 271 L CA -0.936 53.871 54.840 -0.055 0.000 0.819 271 L CB 0.086 42.083 42.059 -0.104 0.000 1.112 271 L HN 0.370 nan 8.230 nan 0.000 0.458 272 A N 1.529 124.352 122.820 0.004 0.000 2.466 272 A HA 0.097 4.403 4.320 -0.024 0.000 0.238 272 A C 1.238 178.839 177.584 0.029 0.000 1.074 272 A CA -0.218 51.831 52.037 0.020 0.000 0.774 272 A CB 0.056 19.067 19.000 0.019 0.000 1.015 272 A HN 0.963 nan 8.150 nan 0.000 0.498 273 E N 1.020 121.240 120.200 0.034 0.000 2.217 273 E HA -0.383 3.953 4.350 -0.024 0.000 0.219 273 E C 1.047 177.671 176.600 0.041 0.000 1.070 273 E CA 2.320 58.743 56.400 0.037 0.000 0.889 273 E CB -0.460 29.258 29.700 0.031 0.000 0.768 273 E HN 0.927 nan 8.360 nan 0.000 0.465 274 D N 0.241 120.663 120.400 0.037 0.000 2.183 274 D HA -0.087 4.539 4.640 -0.024 0.000 0.205 274 D C 1.635 177.966 176.300 0.053 0.000 0.962 274 D CA 0.719 54.743 54.000 0.041 0.000 0.849 274 D CB -0.363 40.457 40.800 0.033 0.000 0.978 274 D HN 0.225 nan 8.370 nan 0.000 0.488 275 E N 0.278 120.505 120.200 0.046 0.000 2.085 275 E HA -0.210 4.125 4.350 -0.024 0.000 0.194 275 E C 2.133 178.784 176.600 0.085 0.000 0.994 275 E CA 0.716 57.147 56.400 0.053 0.000 0.801 275 E CB -0.106 29.605 29.700 0.019 0.000 0.743 275 E HN 0.244 nan 8.360 nan 0.000 0.453 276 R N 0.772 121.314 120.500 0.071 0.000 2.105 276 R HA -0.144 4.181 4.340 -0.024 0.000 0.239 276 R C 2.354 178.755 176.300 0.168 0.000 1.135 276 R CA 1.202 57.371 56.100 0.115 0.000 0.967 276 R CB -0.256 30.095 30.300 0.086 0.000 0.861 276 R HN 0.120 nan 8.270 nan 0.000 0.442 277 V N 0.875 120.855 119.914 0.111 0.000 2.323 277 V HA -0.151 3.955 4.120 -0.024 0.000 0.244 277 V C 1.792 177.940 176.094 0.091 0.000 1.041 277 V CA 1.771 64.124 62.300 0.087 0.000 1.025 277 V CB -0.107 31.749 31.823 0.055 0.000 0.656 277 V HN 0.355 nan 8.190 nan 0.000 0.451 278 E N -0.242 120.018 120.200 0.099 0.000 2.058 278 E HA -0.278 4.058 4.350 -0.024 0.000 0.194 278 E C 2.054 178.728 176.600 0.123 0.000 0.997 278 E CA 2.000 58.456 56.400 0.093 0.000 0.801 278 E CB -0.734 29.023 29.700 0.095 0.000 0.746 278 E HN 0.825 nan 8.360 nan 0.000 0.450 279 Y N 2.167 122.488 120.300 0.034 0.000 2.365 279 Y HA -0.231 4.304 4.550 -0.026 0.000 0.287 279 Y C 1.901 177.820 175.900 0.031 0.000 1.162 279 Y CA 1.423 59.549 58.100 0.043 0.000 1.260 279 Y CB 0.178 38.665 38.460 0.046 0.000 0.976 279 Y HN -0.024 nan 8.280 nan 0.000 0.548 280 E N 0.343 120.542 120.200 -0.000 0.000 2.060 280 E HA -0.087 4.248 4.350 -0.024 0.000 0.189 280 E C 1.485 178.012 176.600 -0.122 0.000 0.974 280 E CA 0.988 57.329 56.400 -0.098 0.000 0.808 280 E CB -0.284 29.409 29.700 -0.012 0.000 0.768 280 E HN 0.454 nan 8.360 nan 0.000 0.453 281 K N 1.032 121.399 120.400 -0.055 0.000 2.668 281 K HA 0.050 4.355 4.320 -0.024 0.000 0.204 281 K C 0.950 177.518 176.600 -0.052 0.000 1.016 281 K CA 0.170 56.427 56.287 -0.050 0.000 1.131 281 K CB 0.334 32.825 32.500 -0.015 0.000 0.891 281 K HN -0.143 nan 8.250 nan 0.000 0.499 282 R N -0.213 120.229 120.500 -0.096 0.000 2.521 282 R HA 0.025 4.351 4.340 -0.024 0.000 0.289 282 R C 1.216 177.444 176.300 -0.121 0.000 0.936 282 R CA 0.422 56.490 56.100 -0.054 0.000 1.089 282 R CB 0.540 30.844 30.300 0.008 0.000 1.348 282 R HN 0.438 nan 8.270 nan 0.000 0.536 283 E N -0.383 119.605 120.200 -0.353 0.000 2.414 283 E HA 0.099 4.435 4.350 -0.024 0.000 0.208 283 E C 1.455 177.586 176.600 -0.780 0.000 0.820 283 E CA -0.189 55.750 56.400 -0.768 0.000 1.143 283 E CB 0.014 29.265 29.700 -0.747 0.000 1.150 283 E HN -0.075 nan 8.360 nan 0.000 0.540 284 K N 1.981 122.124 120.400 -0.429 0.000 2.442 284 K HA -0.116 4.190 4.320 -0.024 0.000 0.199 284 K C 1.903 178.331 176.600 -0.286 0.000 1.044 284 K CA 1.227 57.322 56.287 -0.319 0.000 0.941 284 K CB -0.185 32.202 32.500 -0.189 0.000 0.759 284 K HN 0.236 nan 8.250 nan 0.000 0.472 285 V N -0.431 119.313 119.914 -0.284 0.000 2.221 285 V HA -0.248 3.857 4.120 -0.024 0.000 0.240 285 V C 2.116 178.134 176.094 -0.127 0.000 1.041 285 V CA 1.496 63.711 62.300 -0.141 0.000 0.991 285 V CB -1.578 30.224 31.823 -0.034 0.000 0.634 285 V HN 0.406 nan 8.190 nan 0.000 0.450 286 Y N 0.352 120.601 120.300 -0.085 0.000 2.616 286 Y HA 0.304 4.839 4.550 -0.025 0.000 0.296 286 Y C 2.132 177.806 175.900 -0.376 0.000 1.154 286 Y CA 0.193 58.208 58.100 -0.142 0.000 1.325 286 Y CB -0.900 37.518 38.460 -0.070 0.000 1.007 286 Y HN 0.060 nan 8.280 nan 0.000 0.542 287 K N 1.230 121.295 120.400 -0.558 0.000 2.026 287 K HA -0.174 4.131 4.320 -0.024 0.000 0.208 287 K C 1.656 177.828 176.600 -0.714 0.000 1.048 287 K CA 1.817 57.743 56.287 -0.601 0.000 0.929 287 K CB -0.404 31.835 32.500 -0.435 0.000 0.713 287 K HN 0.611 nan 8.250 nan 0.000 0.439 288 Q N -0.789 118.803 119.800 -0.346 0.000 2.482 288 Q HA 0.013 4.339 4.340 -0.024 0.000 0.209 288 Q C 0.126 176.217 176.000 0.151 0.000 0.961 288 Q CA 0.278 56.039 55.803 -0.070 0.000 0.945 288 Q CB -0.128 28.611 28.738 0.002 0.000 1.012 288 Q HN 0.233 nan 8.270 nan 0.000 0.515 289 F N -2.360 117.625 119.950 0.057 0.000 2.582 289 F HA -0.319 4.192 4.527 -0.026 0.000 0.606 289 F C 0.163 176.004 175.800 0.069 0.000 0.501 289 F CA 0.620 58.664 58.000 0.074 0.000 0.880 289 F CB -0.943 38.086 39.000 0.047 0.000 1.700 289 F HN 0.028 nan 8.300 nan 0.000 0.259 290 L N 0.314 121.670 121.223 0.222 0.000 3.040 290 L HA -0.269 4.057 4.340 -0.024 0.000 0.594 290 L C 1.131 178.090 176.870 0.147 0.000 1.002 290 L CA 1.857 56.783 54.840 0.143 0.000 1.305 290 L CB -0.887 41.230 42.059 0.097 0.000 1.539 290 L HN 0.808 nan 8.230 nan 0.000 0.746 291 R N -0.277 120.294 120.500 0.118 0.000 2.354 291 R HA -0.005 4.321 4.340 -0.024 0.000 0.361 291 R C -0.400 175.941 176.300 0.069 0.000 0.280 291 R CA 2.079 58.233 56.100 0.090 0.000 1.424 291 R CB -1.115 29.246 30.300 0.102 0.000 1.781 291 R HN 1.740 nan 8.270 nan 0.000 0.225 292 A N -0.251 122.617 122.820 0.081 0.000 2.557 292 A HA 0.790 5.095 4.320 -0.024 0.000 0.292 292 A C -1.416 176.138 177.584 -0.049 0.000 1.139 292 A CA -0.514 51.527 52.037 0.007 0.000 0.665 292 A CB 1.031 20.010 19.000 -0.035 0.000 1.285 292 A HN 0.139 nan 8.150 nan 0.000 0.433 293 R N 0.970 121.375 120.500 -0.159 0.000 3.785 293 R HA 0.380 4.706 4.340 -0.024 0.000 0.255 293 R C 1.191 177.142 176.300 -0.583 0.000 1.485 293 R CA 0.407 56.342 56.100 -0.275 0.000 1.555 293 R CB 0.288 30.503 30.300 -0.143 0.000 1.362 293 R HN 0.872 nan 8.270 nan 0.000 0.702 294 G N 1.975 110.049 108.800 -1.211 0.000 2.480 294 G HA2 -0.190 3.756 3.960 -0.024 0.000 0.169 294 G HA3 -0.190 3.756 3.960 -0.024 0.000 0.169 294 G C 0.765 175.158 174.900 -0.844 0.000 1.566 294 G CA 0.284 44.677 45.100 -1.179 0.000 0.887 294 G HN 0.616 nan 8.290 nan 0.000 0.423 295 I N -0.805 119.338 120.570 -0.712 0.000 2.966 295 I HA 0.370 4.526 4.170 -0.024 0.000 0.323 295 I C -0.449 175.825 176.117 0.262 0.000 1.253 295 I CA -0.578 60.686 61.300 -0.060 0.000 1.089 295 I CB 0.311 38.376 38.000 0.108 0.000 1.812 295 I HN -0.058 nan 8.210 nan 0.000 0.534 296 T N 4.206 118.868 114.554 0.181 0.000 2.800 296 T HA 0.385 4.720 4.350 -0.024 0.000 0.266 296 T C 0.202 175.007 174.700 0.175 0.000 0.939 296 T CA 0.034 62.331 62.100 0.328 0.000 1.199 296 T CB -0.336 68.681 68.868 0.248 0.000 0.899 296 T HN 0.612 nan 8.240 nan 0.000 0.555 297 L N 2.403 123.738 121.223 0.187 0.000 2.318 297 L HA -0.130 4.196 4.340 -0.024 0.000 0.699 297 L C 0.350 177.292 176.870 0.120 0.000 1.315 297 L CA -0.737 54.183 54.840 0.133 0.000 1.352 297 L CB -0.779 41.333 42.059 0.088 0.000 2.168 297 L HN 0.769 nan 8.230 nan 0.000 0.915 298 R N 0.442 121.025 120.500 0.139 0.000 2.939 298 R HA -0.190 4.136 4.340 -0.024 0.000 0.255 298 R C 0.746 177.093 176.300 0.078 0.000 0.882 298 R CA 0.671 56.838 56.100 0.112 0.000 0.658 298 R CB -0.707 29.651 30.300 0.097 0.000 1.447 298 R HN 0.456 nan 8.270 nan 0.000 0.506 299 R N 0.998 121.543 120.500 0.074 0.000 2.935 299 R HA 0.422 4.747 4.340 -0.024 0.000 0.354 299 R C -0.546 175.769 176.300 0.025 0.000 1.206 299 R CA 0.736 56.854 56.100 0.030 0.000 1.082 299 R CB 0.729 31.029 30.300 -0.001 0.000 1.431 299 R HN 0.541 nan 8.270 nan 0.000 0.582 300 A N 0.296 123.143 122.820 0.045 0.000 2.483 300 A HA 0.387 4.692 4.320 -0.024 0.000 0.306 300 A C -1.177 176.447 177.584 0.067 0.000 1.137 300 A CA -0.617 51.450 52.037 0.049 0.000 0.626 300 A CB 0.800 19.837 19.000 0.062 0.000 1.352 300 A HN 0.302 nan 8.150 nan 0.000 0.508 301 E N -1.048 119.213 120.200 0.101 0.000 3.313 301 E HA 0.411 4.747 4.350 -0.024 0.000 0.164 301 E C -0.871 175.838 176.600 0.182 0.000 0.947 301 E CA 0.199 56.675 56.400 0.126 0.000 1.390 301 E CB 0.181 29.945 29.700 0.107 0.000 1.058 301 E HN 0.439 nan 8.360 nan 0.000 0.436 302 D N -0.751 119.750 120.400 0.168 0.000 2.603 302 D HA -0.238 4.387 4.640 -0.024 0.000 0.180 302 D C 0.286 176.699 176.300 0.188 0.000 0.972 302 D CA 1.227 55.347 54.000 0.200 0.000 1.022 302 D CB -1.458 39.516 40.800 0.290 0.000 1.079 302 D HN 0.385 nan 8.370 nan 0.000 0.455 303 F N 1.013 120.990 119.950 0.046 0.000 2.512 303 F HA 0.259 4.772 4.527 -0.024 0.000 0.296 303 F C 1.734 177.529 175.800 -0.008 0.000 1.110 303 F CA 1.461 59.481 58.000 0.034 0.000 1.446 303 F CB -0.133 38.885 39.000 0.030 0.000 1.092 303 F HN 0.088 nan 8.300 nan 0.000 0.554 304 N N -0.305 118.528 118.700 0.222 0.000 2.376 304 N HA -0.130 4.595 4.740 -0.024 0.000 0.177 304 N C 1.078 176.562 175.510 -0.043 0.000 1.024 304 N CA 0.173 53.284 53.050 0.101 0.000 0.893 304 N CB -0.019 38.497 38.487 0.048 0.000 0.980 304 N HN -0.116 nan 8.380 nan 0.000 0.439 305 K N 0.722 120.996 120.400 -0.209 0.000 2.836 305 K HA 0.198 4.503 4.320 -0.024 0.000 0.236 305 K C 0.263 176.729 176.600 -0.223 0.000 1.015 305 K CA 0.246 56.242 56.287 -0.485 0.000 1.194 305 K CB -0.133 31.500 32.500 -1.445 0.000 1.002 305 K HN 0.340 nan 8.250 nan 0.000 0.479 306 I N -2.801 117.725 120.570 -0.073 0.000 5.251 306 I HA -0.060 4.096 4.170 -0.024 0.000 0.340 306 I C 1.174 177.281 176.117 -0.017 0.000 1.201 306 I CA 0.070 61.354 61.300 -0.026 0.000 1.500 306 I CB 0.121 38.074 38.000 -0.078 0.000 1.636 306 I HN -0.083 nan 8.210 nan 0.000 0.561 307 V N -0.118 119.815 119.914 0.031 0.000 2.262 307 V HA -0.141 3.965 4.120 -0.024 0.000 0.192 307 V C 2.114 178.223 176.094 0.025 0.000 0.934 307 V CA 0.975 63.319 62.300 0.072 0.000 1.098 307 V CB -0.812 31.109 31.823 0.163 0.000 0.691 307 V HN 0.289 nan 8.190 nan 0.000 0.468 308 M N 1.293 120.907 119.600 0.023 0.000 2.202 308 M HA 0.109 4.575 4.480 -0.024 0.000 0.262 308 M C 1.223 177.521 176.300 -0.005 0.000 1.063 308 M CA 1.665 56.966 55.300 0.001 0.000 1.097 308 M CB -1.570 31.029 32.600 -0.001 0.000 1.382 308 M HN 0.776 nan 8.290 nan 0.000 0.413 309 A N -0.591 122.231 122.820 0.004 0.000 2.366 309 A HA 0.490 4.795 4.320 -0.024 0.000 0.249 309 A C 1.246 178.838 177.584 0.013 0.000 1.084 309 A CA 1.018 53.062 52.037 0.011 0.000 0.794 309 A CB -0.138 18.850 19.000 -0.021 0.000 1.034 309 A HN 1.018 nan 8.150 nan 0.000 0.491 310 S N -0.911 114.817 115.700 0.048 0.000 2.372 310 S HA -0.007 4.449 4.470 -0.024 0.000 0.257 310 S C 1.601 176.226 174.600 0.042 0.000 1.282 310 S CA 1.480 59.732 58.200 0.087 0.000 1.305 310 S CB -2.138 61.102 63.200 0.066 0.000 1.614 310 S HN 2.494 nan 8.310 nan 0.000 0.631 311 G N -1.291 107.471 108.800 -0.064 0.000 2.684 311 G HA2 0.482 4.428 3.960 -0.024 0.000 0.255 311 G HA3 0.482 4.428 3.960 -0.024 0.000 0.255 311 G C 0.376 175.202 174.900 -0.124 0.000 1.219 311 G CA 0.450 45.456 45.100 -0.155 0.000 0.901 311 G HN 0.638 nan 8.290 nan 0.000 0.548 312 Y N -1.588 118.467 120.300 -0.408 0.000 2.607 312 Y HA 0.017 4.553 4.550 -0.024 0.000 0.276 312 Y C 2.229 177.919 175.900 -0.350 0.000 1.117 312 Y CA -0.175 57.589 58.100 -0.560 0.000 1.273 312 Y CB 0.244 38.573 38.460 -0.218 0.000 1.282 312 Y HN 0.424 nan 8.280 nan 0.000 0.514 313 D N 1.146 121.550 120.400 0.007 0.000 1.631 313 D HA -0.274 4.352 4.640 -0.024 0.000 0.630 313 D C 1.277 177.660 176.300 0.138 0.000 0.622 313 D CA 2.121 56.154 54.000 0.056 0.000 1.708 313 D CB -0.762 40.055 40.800 0.030 0.000 0.357 313 D HN 0.435 nan 8.370 nan 0.000 0.200 314 E N 1.088 121.394 120.200 0.178 0.000 4.395 314 E HA 0.008 4.344 4.350 -0.024 0.000 0.464 314 E C 0.562 177.379 176.600 0.361 0.000 1.522 314 E CA 0.223 56.756 56.400 0.222 0.000 2.845 314 E CB 0.066 29.872 29.700 0.176 0.000 1.408 314 E HN 0.466 nan 8.360 nan 0.000 0.692 315 R N -1.362 119.268 120.500 0.216 0.000 2.538 315 R HA 0.334 4.659 4.340 -0.024 0.000 0.372 315 R C 0.651 176.895 176.300 -0.093 0.000 0.950 315 R CA 0.443 56.558 56.100 0.025 0.000 1.168 315 R CB 0.873 31.176 30.300 0.006 0.000 1.542 315 R HN 0.466 nan 8.270 nan 0.000 0.536 316 A N 0.513 123.360 122.820 0.045 0.000 2.379 316 A HA 0.055 4.361 4.320 -0.024 0.000 0.236 316 A C 1.111 178.745 177.584 0.082 0.000 1.272 316 A CA -0.173 51.885 52.037 0.035 0.000 0.886 316 A CB -0.322 18.722 19.000 0.072 0.000 0.962 316 A HN 0.477 nan 8.150 nan 0.000 0.504 317 Y N -2.671 117.668 120.300 0.065 0.000 2.481 317 Y HA 0.381 4.917 4.550 -0.024 0.000 0.258 317 Y C 1.364 177.309 175.900 0.077 0.000 1.103 317 Y CA 0.571 58.718 58.100 0.078 0.000 1.287 317 Y CB -0.055 38.456 38.460 0.086 0.000 1.108 317 Y HN 0.177 nan 8.280 nan 0.000 0.529 318 E N 1.744 121.550 120.200 -0.657 0.000 2.463 318 E HA -0.047 4.289 4.350 -0.024 0.000 0.201 318 E C 2.071 178.593 176.600 -0.130 0.000 1.045 318 E CA 0.894 56.996 56.400 -0.497 0.000 0.872 318 E CB -0.278 29.134 29.700 -0.481 0.000 0.797 318 E HN 0.592 nan 8.360 nan 0.000 0.538 319 A N 0.177 122.974 122.820 -0.038 0.000 1.968 319 A HA -0.076 4.229 4.320 -0.024 0.000 0.217 319 A C 2.124 179.796 177.584 0.145 0.000 1.169 319 A CA 0.978 53.046 52.037 0.051 0.000 0.638 319 A CB -0.543 18.496 19.000 0.065 0.000 0.812 319 A HN 0.435 nan 8.150 nan 0.000 0.446 320 L N -1.004 120.319 121.223 0.165 0.000 2.141 320 L HA -0.124 4.202 4.340 -0.024 0.000 0.209 320 L C 2.459 179.481 176.870 0.253 0.000 1.094 320 L CA 1.214 56.185 54.840 0.218 0.000 0.763 320 L CB -0.279 41.903 42.059 0.206 0.000 0.908 320 L HN 0.266 nan 8.230 nan 0.000 0.437 321 R N 0.717 121.324 120.500 0.179 0.000 2.170 321 R HA -0.194 4.132 4.340 -0.024 0.000 0.242 321 R C 1.987 178.388 176.300 0.170 0.000 1.145 321 R CA 1.486 57.677 56.100 0.152 0.000 0.984 321 R CB -0.724 29.615 30.300 0.065 0.000 0.869 321 R HN 0.594 nan 8.270 nan 0.000 0.455 322 A N -0.793 122.152 122.820 0.208 0.000 2.015 322 A HA -0.174 4.132 4.320 -0.024 0.000 0.219 322 A C 1.930 179.724 177.584 0.350 0.000 1.163 322 A CA 1.120 53.300 52.037 0.239 0.000 0.646 322 A CB -0.776 18.363 19.000 0.232 0.000 0.806 322 A HN 0.596 nan 8.150 nan 0.000 0.448 323 W N 1.419 122.794 121.300 0.124 0.000 2.378 323 W HA -0.129 4.515 4.660 -0.025 0.000 0.313 323 W C 1.843 178.364 176.519 0.002 0.000 1.197 323 W CA 1.766 59.017 57.345 -0.157 0.000 1.304 323 W CB -0.162 28.942 29.460 -0.593 0.000 1.148 323 W HN 0.386 nan 8.180 nan 0.000 0.494 324 E N 0.289 120.517 120.200 0.046 0.000 2.171 324 E HA -0.237 4.099 4.350 -0.024 0.000 0.197 324 E C 1.795 178.363 176.600 -0.052 0.000 0.997 324 E CA 1.607 57.943 56.400 -0.108 0.000 0.810 324 E CB -0.400 29.330 29.700 0.049 0.000 0.738 324 E HN 0.475 nan 8.360 nan 0.000 0.467 325 E N 0.693 120.920 120.200 0.045 0.000 2.011 325 E HA -0.018 4.318 4.350 -0.024 0.000 0.191 325 E C 2.181 178.846 176.600 0.107 0.000 0.980 325 E CA 0.892 57.339 56.400 0.079 0.000 0.814 325 E CB -0.496 29.263 29.700 0.099 0.000 0.775 325 E HN 0.159 nan 8.360 nan 0.000 0.454 326 A N 2.710 125.624 122.820 0.157 0.000 1.929 326 A HA -0.313 3.993 4.320 -0.024 0.000 0.221 326 A C 2.078 179.816 177.584 0.256 0.000 1.211 326 A CA 2.293 54.487 52.037 0.261 0.000 0.657 326 A CB -0.699 18.449 19.000 0.245 0.000 0.827 326 A HN 0.135 nan 8.150 nan 0.000 0.462 327 R N -0.674 119.867 120.500 0.069 0.000 2.113 327 R HA -0.191 4.135 4.340 -0.024 0.000 0.244 327 R C 2.255 178.632 176.300 0.129 0.000 1.142 327 R CA 2.055 58.153 56.100 -0.003 0.000 0.953 327 R CB -0.648 29.519 30.300 -0.222 0.000 0.860 327 R HN 0.680 nan 8.270 nan 0.000 0.438 328 R N 0.190 120.797 120.500 0.179 0.000 2.115 328 R HA 0.069 4.395 4.340 -0.024 0.000 0.226 328 R C 2.456 178.873 176.300 0.195 0.000 1.100 328 R CA 0.781 57.043 56.100 0.269 0.000 0.980 328 R CB -0.334 30.109 30.300 0.237 0.000 0.875 328 R HN 0.219 nan 8.270 nan 0.000 0.445 329 I N 0.983 121.647 120.570 0.156 0.000 2.399 329 I HA -0.322 3.833 4.170 -0.024 0.000 0.254 329 I C 2.280 178.428 176.117 0.053 0.000 1.146 329 I CA 1.069 62.446 61.300 0.128 0.000 1.412 329 I CB -0.444 37.678 38.000 0.203 0.000 1.076 329 I HN 0.235 nan 8.210 nan 0.000 0.432 330 A N 1.129 123.955 122.820 0.011 0.000 2.260 330 A HA -0.092 4.214 4.320 -0.024 0.000 0.208 330 A C 1.810 179.357 177.584 -0.061 0.000 1.588 330 A CA 0.722 52.682 52.037 -0.129 0.000 0.600 330 A CB -1.241 17.608 19.000 -0.252 0.000 1.142 330 A HN 0.191 nan 8.150 nan 0.000 0.494 331 F N 0.579 120.450 119.950 -0.132 0.000 2.115 331 F HA -0.306 4.208 4.527 -0.022 0.000 0.279 331 F C 0.817 176.587 175.800 -0.051 0.000 1.092 331 F CA 2.421 60.334 58.000 -0.144 0.000 1.346 331 F CB -1.193 37.630 39.000 -0.294 0.000 0.919 331 F HN 0.246 nan 8.300 nan 0.000 0.505 332 N N 0.288 119.116 118.700 0.214 0.000 2.605 332 N HA 0.250 4.975 4.740 -0.024 0.000 0.258 332 N C -0.449 175.107 175.510 0.077 0.000 1.156 332 N CA 0.044 53.176 53.050 0.137 0.000 1.008 332 N CB 0.901 39.468 38.487 0.133 0.000 1.354 332 N HN 0.100 nan 8.380 nan 0.000 0.509 333 S N 0.729 116.461 115.700 0.053 0.000 2.745 333 S HA 0.442 4.898 4.470 -0.024 0.000 0.306 333 S C 0.764 175.382 174.600 0.031 0.000 1.137 333 S CA -0.676 57.537 58.200 0.023 0.000 0.900 333 S CB 1.452 64.643 63.200 -0.015 0.000 1.176 333 S HN 0.475 nan 8.310 nan 0.000 0.520 334 K N 0.184 120.597 120.400 0.021 0.000 2.350 334 K HA 0.264 4.569 4.320 -0.024 0.000 0.196 334 K C 1.073 177.688 176.600 0.026 0.000 1.084 334 K CA 0.119 56.420 56.287 0.023 0.000 0.967 334 K CB -0.171 32.339 32.500 0.016 0.000 0.950 334 K HN 0.501 nan 8.250 nan 0.000 0.512 335 N N 1.676 120.387 118.700 0.018 0.000 2.309 335 N HA -0.101 4.624 4.740 -0.024 0.000 0.182 335 N C 1.006 176.532 175.510 0.028 0.000 1.018 335 N CA 0.960 54.023 53.050 0.021 0.000 0.876 335 N CB 0.178 38.672 38.487 0.012 0.000 0.972 335 N HN 0.316 nan 8.380 nan 0.000 0.434 336 K N 0.312 120.727 120.400 0.024 0.000 2.167 336 K HA 0.084 4.390 4.320 -0.024 0.000 0.203 336 K C 1.642 178.288 176.600 0.077 0.000 1.052 336 K CA 0.517 56.822 56.287 0.028 0.000 0.956 336 K CB 0.346 32.850 32.500 0.007 0.000 0.735 336 K HN 0.078 nan 8.250 nan 0.000 0.451 337 I N 1.593 122.229 120.570 0.111 0.000 2.333 337 I HA -0.102 4.054 4.170 -0.024 0.000 0.246 337 I C 2.292 178.532 176.117 0.204 0.000 1.106 337 I CA 1.026 62.458 61.300 0.219 0.000 1.411 337 I CB -0.919 37.171 38.000 0.151 0.000 1.082 337 I HN 0.129 nan 8.210 nan 0.000 0.420 338 R N 1.170 121.729 120.500 0.097 0.000 2.083 338 R HA -0.206 4.120 4.340 -0.024 0.000 0.237 338 R C 2.196 178.546 176.300 0.084 0.000 1.137 338 R CA 1.291 57.433 56.100 0.070 0.000 0.951 338 R CB -0.573 29.751 30.300 0.040 0.000 0.851 338 R HN 0.224 nan 8.270 nan 0.000 0.434 339 K N 1.293 121.734 120.400 0.069 0.000 2.025 339 K HA -0.030 4.276 4.320 -0.024 0.000 0.207 339 K C 2.104 178.725 176.600 0.035 0.000 1.049 339 K CA 0.833 57.147 56.287 0.046 0.000 0.933 339 K CB -0.547 31.973 32.500 0.032 0.000 0.714 339 K HN 0.078 nan 8.250 nan 0.000 0.438 340 L N 0.702 121.956 121.223 0.053 0.000 2.012 340 L HA -0.269 4.057 4.340 -0.024 0.000 0.210 340 L C 2.565 179.454 176.870 0.032 0.000 1.073 340 L CA 1.771 56.601 54.840 -0.015 0.000 0.748 340 L CB -0.378 41.658 42.059 -0.037 0.000 0.891 340 L HN 0.300 nan 8.230 nan 0.000 0.431 341 R N 0.213 120.870 120.500 0.262 0.000 2.115 341 R HA -0.318 4.007 4.340 -0.024 0.000 0.239 341 R C 2.209 178.585 176.300 0.127 0.000 1.133 341 R CA 2.475 58.787 56.100 0.353 0.000 0.935 341 R CB -0.512 29.941 30.300 0.256 0.000 0.853 341 R HN 0.513 nan 8.270 nan 0.000 0.433 342 E N 0.161 120.402 120.200 0.069 0.000 2.097 342 E HA -0.223 4.113 4.350 -0.024 0.000 0.196 342 E C 1.961 178.546 176.600 -0.025 0.000 1.000 342 E CA 1.955 58.367 56.400 0.020 0.000 0.804 342 E CB -0.165 29.546 29.700 0.017 0.000 0.740 342 E HN 0.585 nan 8.360 nan 0.000 0.454 343 I N 0.713 121.244 120.570 -0.065 0.000 2.439 343 I HA -0.238 3.918 4.170 -0.024 0.000 0.251 343 I C 2.321 178.390 176.117 -0.080 0.000 1.139 343 I CA 0.575 61.792 61.300 -0.138 0.000 1.438 343 I CB -0.233 37.593 38.000 -0.291 0.000 1.085 343 I HN 0.168 nan 8.210 nan 0.000 0.427 344 L N 0.612 121.798 121.223 -0.062 0.000 2.017 344 L HA -0.209 4.117 4.340 -0.024 0.000 0.208 344 L C 2.680 179.547 176.870 -0.004 0.000 1.073 344 L CA 1.704 56.521 54.840 -0.037 0.000 0.745 344 L CB -0.649 41.382 42.059 -0.048 0.000 0.894 344 L HN 0.302 nan 8.230 nan 0.000 0.432 345 E N 0.640 120.840 120.200 -0.000 0.000 2.110 345 E HA -0.283 4.053 4.350 -0.024 0.000 0.193 345 E C 2.261 178.835 176.600 -0.044 0.000 0.988 345 E CA 1.103 57.498 56.400 -0.009 0.000 0.804 345 E CB 0.069 29.768 29.700 -0.002 0.000 0.745 345 E HN 0.222 nan 8.360 nan 0.000 0.458 346 R N 0.091 120.541 120.500 -0.084 0.000 2.094 346 R HA -0.133 4.193 4.340 -0.024 0.000 0.239 346 R C 0.619 176.761 176.300 -0.264 0.000 1.137 346 R CA 1.727 57.712 56.100 -0.192 0.000 0.943 346 R CB -0.161 29.985 30.300 -0.258 0.000 0.850 346 R HN 0.242 nan 8.270 nan 0.000 0.433 347 H N 0.461 119.515 119.070 -0.027 0.000 2.556 347 H HA 0.182 4.723 4.556 -0.024 0.000 0.240 347 H C -0.140 175.171 175.328 -0.028 0.000 1.543 347 H CA -0.162 55.878 56.048 -0.013 0.000 1.287 347 H CB 0.503 30.259 29.762 -0.010 0.000 1.529 347 H HN 0.398 nan 8.280 nan 0.000 0.553 348 R N 0.406 120.938 120.500 0.054 0.000 2.613 348 R HA 0.252 4.577 4.340 -0.024 0.000 0.361 348 R C -0.006 176.299 176.300 0.008 0.000 1.072 348 R CA -0.329 55.781 56.100 0.017 0.000 1.089 348 R CB 0.387 30.686 30.300 -0.002 0.000 1.343 348 R HN 0.031 nan 8.270 nan 0.000 0.571 349 K N 0.419 120.839 120.400 0.033 0.000 2.609 349 K HA 0.201 4.507 4.320 -0.024 0.000 0.195 349 K C -1.050 175.570 176.600 0.033 0.000 1.144 349 K CA -0.247 56.052 56.287 0.020 0.000 1.084 349 K CB 1.032 33.545 32.500 0.022 0.000 0.877 349 K HN 0.145 nan 8.250 nan 0.000 0.540 350 D N 1.515 121.942 120.400 0.045 0.000 2.601 350 D HA 0.181 4.807 4.640 -0.024 0.000 0.230 350 D C -0.846 175.459 176.300 0.008 0.000 1.106 350 D CA -0.552 53.474 54.000 0.043 0.000 0.873 350 D CB 1.911 42.761 40.800 0.084 0.000 1.515 350 D HN -0.073 nan 8.370 nan 0.000 0.468 351 K N 1.275 121.684 120.400 0.015 0.000 2.349 351 K HA 0.504 4.810 4.320 -0.024 0.000 0.288 351 K C 0.245 176.942 176.600 0.162 0.000 1.058 351 K CA -0.328 55.976 56.287 0.028 0.000 0.953 351 K CB 0.966 33.538 32.500 0.121 0.000 0.997 351 K HN 0.434 nan 8.250 nan 0.000 0.477 352 I N 0.644 121.342 120.570 0.213 0.000 2.785 352 I HA 0.555 4.711 4.170 -0.024 0.000 0.302 352 I C -1.122 175.171 176.117 0.293 0.000 1.069 352 I CA -1.244 60.169 61.300 0.188 0.000 1.045 352 I CB 1.509 39.538 38.000 0.049 0.000 1.236 352 I HN 0.546 nan 8.210 nan 0.000 0.429 353 I N 5.151 125.808 120.570 0.144 0.000 2.910 353 I HA 0.484 4.640 4.170 -0.024 0.000 0.310 353 I C -0.679 175.469 176.117 0.052 0.000 1.043 353 I CA -0.941 60.407 61.300 0.079 0.000 1.053 353 I CB 2.379 40.372 38.000 -0.012 0.000 1.242 353 I HN 0.521 nan 8.210 nan 0.000 0.452 354 I N 3.680 124.272 120.570 0.037 0.000 2.719 354 I HA 0.186 4.342 4.170 -0.024 0.000 0.275 354 I C -0.615 175.515 176.117 0.022 0.000 1.228 354 I CA -0.225 61.086 61.300 0.018 0.000 1.035 354 I CB 0.889 38.860 38.000 -0.048 0.000 1.286 354 I HN 0.350 nan 8.210 nan 0.000 0.531 355 F N 4.442 124.350 119.950 -0.069 0.000 2.444 355 F HA 0.573 5.085 4.527 -0.024 0.000 0.331 355 F C 0.529 176.267 175.800 -0.104 0.000 1.167 355 F CA 0.805 58.743 58.000 -0.103 0.000 1.262 355 F CB 1.056 39.987 39.000 -0.114 0.000 1.196 355 F HN 0.335 nan 8.300 nan 0.000 0.583 356 T N 4.523 118.417 114.554 -1.100 0.000 3.343 356 T HA 0.220 4.556 4.350 -0.024 0.000 0.383 356 T C -0.463 173.738 174.700 -0.831 0.000 1.615 356 T CA -0.841 60.906 62.100 -0.589 0.000 1.153 356 T CB 0.753 69.484 68.868 -0.229 0.000 1.434 356 T HN 0.768 nan 8.240 nan 0.000 0.476 357 R N 2.363 122.586 120.500 -0.462 0.000 2.788 357 R HA 0.162 4.487 4.340 -0.024 0.000 0.264 357 R C -0.575 175.549 176.300 -0.293 0.000 1.267 357 R CA -0.085 55.791 56.100 -0.373 0.000 1.213 357 R CB -0.247 29.981 30.300 -0.120 0.000 1.256 357 R HN 0.400 nan 8.270 nan 0.000 0.556 358 H N -0.299 118.407 119.070 -0.605 0.000 3.177 358 H HA 0.228 4.770 4.556 -0.023 0.000 0.314 358 H C 0.383 175.430 175.328 -0.468 0.000 1.059 358 H CA -0.906 54.782 56.048 -0.600 0.000 1.515 358 H CB 0.609 29.856 29.762 -0.858 0.000 1.672 358 H HN -0.042 nan 8.280 nan 0.000 0.514 359 N N 1.973 120.405 118.700 -0.447 0.000 2.104 359 N HA -0.189 4.536 4.740 -0.024 0.000 0.190 359 N C 1.811 176.951 175.510 -0.616 0.000 1.024 359 N CA 1.121 53.785 53.050 -0.643 0.000 0.853 359 N CB 0.183 38.346 38.487 -0.540 0.000 1.008 359 N HN 0.746 nan 8.380 nan 0.000 0.424 360 E N 0.873 120.884 120.200 -0.315 0.000 2.187 360 E HA -0.189 4.147 4.350 -0.024 0.000 0.199 360 E C 1.882 178.461 176.600 -0.035 0.000 1.004 360 E CA 0.860 57.208 56.400 -0.087 0.000 0.813 360 E CB -0.068 29.549 29.700 -0.138 0.000 0.736 360 E HN 0.334 nan 8.360 nan 0.000 0.468 361 L N -0.235 120.937 121.223 -0.085 0.000 2.354 361 L HA 0.004 4.330 4.340 -0.024 0.000 0.212 361 L C 2.113 178.938 176.870 -0.076 0.000 1.091 361 L CA 0.174 55.010 54.840 -0.006 0.000 0.828 361 L CB 0.240 42.333 42.059 0.055 0.000 0.973 361 L HN 0.043 nan 8.230 nan 0.000 0.461 362 V N -0.099 119.662 119.914 -0.254 0.000 2.343 362 V HA -0.302 3.803 4.120 -0.024 0.000 0.247 362 V C 2.217 178.195 176.094 -0.193 0.000 1.051 362 V CA 1.831 63.945 62.300 -0.309 0.000 1.036 362 V CB -0.769 30.738 31.823 -0.528 0.000 0.654 362 V HN 0.409 nan 8.190 nan 0.000 0.451 363 Y N 0.258 120.554 120.300 -0.007 0.000 2.184 363 Y HA -0.080 4.456 4.550 -0.023 0.000 0.290 363 Y C 2.623 178.545 175.900 0.036 0.000 1.129 363 Y CA 1.284 59.389 58.100 0.009 0.000 1.144 363 Y CB -0.842 37.614 38.460 -0.006 0.000 0.995 363 Y HN 0.070 nan 8.280 nan 0.000 0.513 364 R N 0.697 121.308 120.500 0.184 0.000 2.094 364 R HA -0.192 4.133 4.340 -0.024 0.000 0.239 364 R C 2.122 178.524 176.300 0.170 0.000 1.137 364 R CA 2.198 58.383 56.100 0.141 0.000 0.943 364 R CB -0.655 29.713 30.300 0.113 0.000 0.850 364 R HN 0.327 nan 8.270 nan 0.000 0.433 365 I N 0.029 120.713 120.570 0.190 0.000 2.194 365 I HA -0.324 3.832 4.170 -0.024 0.000 0.246 365 I C 2.580 178.900 176.117 0.339 0.000 1.093 365 I CA 1.493 62.982 61.300 0.314 0.000 1.355 365 I CB -0.437 37.642 38.000 0.130 0.000 1.046 365 I HN 0.307 nan 8.210 nan 0.000 0.413 366 S N 1.280 117.099 115.700 0.199 0.000 2.359 366 S HA -0.250 4.206 4.470 -0.024 0.000 0.224 366 S C 1.988 176.691 174.600 0.172 0.000 1.035 366 S CA 2.242 60.548 58.200 0.176 0.000 1.018 366 S CB -0.104 63.191 63.200 0.158 0.000 0.876 366 S HN 0.524 nan 8.310 nan 0.000 0.448 367 K N 0.903 121.388 120.400 0.141 0.000 2.021 367 K HA 0.122 4.428 4.320 -0.024 0.000 0.205 367 K C 1.816 178.446 176.600 0.048 0.000 1.047 367 K CA 1.561 57.898 56.287 0.084 0.000 0.943 367 K CB -1.234 31.299 32.500 0.055 0.000 0.725 367 K HN 0.212 nan 8.250 nan 0.000 0.439 368 V N 0.555 120.475 119.914 0.010 0.000 2.277 368 V HA -0.247 3.859 4.120 -0.024 0.000 0.253 368 V C 1.857 177.768 176.094 -0.306 0.000 1.067 368 V CA 2.044 64.223 62.300 -0.202 0.000 1.047 368 V CB -0.737 30.859 31.823 -0.379 0.000 0.649 368 V HN 0.323 nan 8.190 nan 0.000 0.447 369 F N -1.413 118.542 119.950 0.008 0.000 2.695 369 F HA 0.498 5.010 4.527 -0.024 0.000 0.303 369 F C 0.788 176.585 175.800 -0.004 0.000 1.091 369 F CA -0.582 57.417 58.000 -0.002 0.000 1.300 369 F CB -0.281 38.718 39.000 -0.002 0.000 1.071 369 F HN -0.122 nan 8.300 nan 0.000 0.578 370 L N 2.170 123.492 121.223 0.165 0.000 3.721 370 L HA -0.239 4.086 4.340 -0.024 0.000 0.625 370 L C -1.051 175.882 176.870 0.106 0.000 1.186 370 L CA 0.273 55.175 54.840 0.103 0.000 0.961 370 L CB -1.695 40.395 42.059 0.051 0.000 1.418 370 L HN 0.142 nan 8.230 nan 0.000 0.838 371 I N 2.485 123.134 120.570 0.131 0.000 2.533 371 I HA 0.405 4.561 4.170 -0.024 0.000 0.290 371 I C -1.894 174.305 176.117 0.138 0.000 1.056 371 I CA -1.959 59.408 61.300 0.112 0.000 1.057 371 I CB 2.346 40.403 38.000 0.094 0.000 1.240 371 I HN 0.012 nan 8.210 nan 0.000 0.423 372 P HA 0.041 nan 4.420 nan 0.000 0.261 372 P C -0.518 176.876 177.300 0.157 0.000 1.183 372 P CA 0.141 63.362 63.100 0.200 0.000 0.761 372 P CB 0.885 32.781 31.700 0.325 0.000 0.785 373 A N 4.294 127.187 122.820 0.122 0.000 2.247 373 A HA 0.767 5.073 4.320 -0.024 0.000 0.313 373 A C 0.088 177.710 177.584 0.064 0.000 1.109 373 A CA -0.754 51.336 52.037 0.087 0.000 0.890 373 A CB 0.698 19.762 19.000 0.108 0.000 1.239 373 A HN 0.554 nan 8.150 nan 0.000 0.506 374 I N 0.434 121.019 120.570 0.025 0.000 2.646 374 I HA 0.122 4.277 4.170 -0.024 0.000 0.265 374 I C -0.058 176.047 176.117 -0.020 0.000 1.350 374 I CA -0.008 61.297 61.300 0.008 0.000 0.990 374 I CB 1.380 39.375 38.000 -0.008 0.000 1.352 374 I HN 0.732 nan 8.210 nan 0.000 0.509 375 T N 0.360 114.916 114.554 0.004 0.000 2.880 375 T HA 0.200 4.535 4.350 -0.024 0.000 0.279 375 T C 1.261 175.982 174.700 0.034 0.000 0.990 375 T CA 0.257 62.347 62.100 -0.016 0.000 0.938 375 T CB 1.032 69.912 68.868 0.021 0.000 1.206 375 T HN 0.626 nan 8.240 nan 0.000 0.573 376 H N 0.193 119.224 119.070 -0.065 0.000 2.518 376 H HA 0.050 4.592 4.556 -0.024 0.000 0.289 376 H C 2.016 177.340 175.328 -0.006 0.000 1.051 376 H CA 2.223 58.245 56.048 -0.043 0.000 1.280 376 H CB 0.100 29.824 29.762 -0.063 0.000 1.380 376 H HN 0.571 nan 8.280 nan 0.000 0.566 377 R N -0.681 119.741 120.500 -0.130 0.000 2.015 377 R HA 0.107 4.433 4.340 -0.024 0.000 0.212 377 R C 1.716 177.968 176.300 -0.080 0.000 1.304 377 R CA 1.033 57.028 56.100 -0.176 0.000 1.040 377 R CB -0.989 29.262 30.300 -0.082 0.000 0.915 377 R HN 0.319 nan 8.270 nan 0.000 0.465 378 T N -1.172 113.372 114.554 -0.017 0.000 1.646 378 T HA -0.370 3.966 4.350 -0.024 0.000 0.088 378 T C 0.814 175.500 174.700 -0.023 0.000 1.829 378 T CA 1.462 63.559 62.100 -0.006 0.000 0.750 378 T CB -1.348 67.524 68.868 0.007 0.000 0.768 378 T HN 0.585 nan 8.240 nan 0.000 0.392 379 S N -1.476 114.213 115.700 -0.019 0.000 3.382 379 S HA 0.501 4.957 4.470 -0.024 0.000 0.290 379 S C 0.733 175.325 174.600 -0.013 0.000 1.223 379 S CA -0.043 58.145 58.200 -0.020 0.000 1.487 379 S CB 0.841 64.030 63.200 -0.018 0.000 1.515 379 S HN 0.807 nan 8.310 nan 0.000 0.379 380 R N 0.992 121.485 120.500 -0.011 0.000 2.167 380 R HA 0.211 4.536 4.340 -0.024 0.000 0.195 380 R C 1.871 178.164 176.300 -0.010 0.000 1.027 380 R CA 1.082 57.176 56.100 -0.008 0.000 1.114 380 R CB -0.179 30.117 30.300 -0.007 0.000 1.075 380 R HN 0.720 nan 8.270 nan 0.000 0.538 381 E N 0.213 120.406 120.200 -0.011 0.000 2.216 381 E HA -0.074 4.261 4.350 -0.024 0.000 0.192 381 E C 0.188 176.779 176.600 -0.015 0.000 0.988 381 E CA 0.567 56.959 56.400 -0.013 0.000 0.834 381 E CB 0.061 29.753 29.700 -0.012 0.000 0.772 381 E HN 0.107 nan 8.360 nan 0.000 0.479 382 E N 1.144 121.336 120.200 -0.012 0.000 2.705 382 E HA 0.071 4.407 4.350 -0.024 0.000 0.272 382 E C 0.341 176.934 176.600 -0.011 0.000 1.528 382 E CA 0.134 56.528 56.400 -0.010 0.000 1.750 382 E CB 0.154 29.850 29.700 -0.006 0.000 1.439 382 E HN 0.363 nan 8.360 nan 0.000 0.449 383 R N -0.978 119.511 120.500 -0.019 0.000 2.944 383 R HA 0.056 4.382 4.340 -0.024 0.000 0.086 383 R C 1.478 177.758 176.300 -0.032 0.000 0.817 383 R CA -0.162 55.924 56.100 -0.023 0.000 2.369 383 R CB 0.106 30.395 30.300 -0.019 0.000 1.534 383 R HN 0.058 nan 8.270 nan 0.000 0.491 384 E N 1.643 121.826 120.200 -0.028 0.000 2.114 384 E HA -0.231 4.105 4.350 -0.024 0.000 0.199 384 E C 1.686 178.262 176.600 -0.040 0.000 1.008 384 E CA 1.420 57.802 56.400 -0.029 0.000 0.810 384 E CB 0.134 29.820 29.700 -0.023 0.000 0.739 384 E HN 0.194 nan 8.360 nan 0.000 0.456 385 E N 0.849 121.020 120.200 -0.049 0.000 2.021 385 E HA -0.147 4.189 4.350 -0.024 0.000 0.189 385 E C 2.148 178.678 176.600 -0.117 0.000 0.980 385 E CA 0.632 56.987 56.400 -0.075 0.000 0.803 385 E CB -0.080 29.575 29.700 -0.074 0.000 0.766 385 E HN 0.073 nan 8.360 nan 0.000 0.449 386 I N 1.923 122.423 120.570 -0.116 0.000 2.103 386 I HA -0.362 3.794 4.170 -0.024 0.000 0.241 386 I C 2.566 178.634 176.117 -0.081 0.000 1.036 386 I CA 1.440 62.655 61.300 -0.141 0.000 1.300 386 I CB -0.928 37.045 38.000 -0.045 0.000 1.010 386 I HN 0.147 nan 8.210 nan 0.000 0.406 387 L N -0.482 120.713 121.223 -0.046 0.000 2.353 387 L HA -0.176 4.149 4.340 -0.024 0.000 0.220 387 L C 2.368 179.250 176.870 0.020 0.000 1.133 387 L CA 1.138 55.961 54.840 -0.029 0.000 0.798 387 L CB -0.669 41.345 42.059 -0.076 0.000 0.922 387 L HN 0.338 nan 8.230 nan 0.000 0.445 388 E N 0.791 120.976 120.200 -0.024 0.000 2.102 388 E HA -0.056 4.279 4.350 -0.024 0.000 0.190 388 E C 2.208 178.786 176.600 -0.037 0.000 0.971 388 E CA 1.059 57.448 56.400 -0.018 0.000 0.821 388 E CB -0.173 29.505 29.700 -0.037 0.000 0.777 388 E HN 0.220 nan 8.360 nan 0.000 0.460 389 G N -0.312 108.392 108.800 -0.160 0.000 2.432 389 G HA2 -0.257 3.689 3.960 -0.024 0.000 0.219 389 G HA3 -0.257 3.689 3.960 -0.024 0.000 0.219 389 G C 1.340 176.136 174.900 -0.174 0.000 1.135 389 G CA 0.628 45.534 45.100 -0.323 0.000 0.767 389 G HN 0.351 nan 8.290 nan 0.000 0.550 390 F N 0.743 120.577 119.950 -0.193 0.000 2.456 390 F HA 0.235 4.748 4.527 -0.024 0.000 0.298 390 F C 2.359 178.187 175.800 0.047 0.000 1.104 390 F CA 0.698 58.722 58.000 0.040 0.000 1.435 390 F CB 0.314 39.330 39.000 0.026 0.000 1.078 390 F HN 0.111 nan 8.300 nan 0.000 0.546 391 R N -0.286 120.355 120.500 0.235 0.000 2.282 391 R HA 0.075 4.401 4.340 -0.024 0.000 0.195 391 R C 1.875 178.227 176.300 0.088 0.000 0.909 391 R CA 1.419 57.617 56.100 0.162 0.000 1.039 391 R CB -1.009 29.355 30.300 0.108 0.000 1.015 391 R HN 0.288 nan 8.270 nan 0.000 0.513 392 T N -3.595 110.998 114.554 0.064 0.000 3.009 392 T HA 0.436 4.772 4.350 -0.024 0.000 0.258 392 T C 1.018 175.753 174.700 0.058 0.000 1.063 392 T CA 0.412 62.540 62.100 0.046 0.000 1.139 392 T CB 0.179 69.063 68.868 0.027 0.000 0.890 392 T HN 0.317 nan 8.240 nan 0.000 0.471 393 G N 0.991 109.839 108.800 0.080 0.000 2.298 393 G HA2 0.167 4.113 3.960 -0.024 0.000 0.309 393 G HA3 0.167 4.113 3.960 -0.024 0.000 0.309 393 G C -0.553 174.437 174.900 0.150 0.000 1.279 393 G CA -0.421 44.720 45.100 0.069 0.000 1.042 393 G HN 0.170 nan 8.290 nan 0.000 0.480 394 R N -1.964 118.579 120.500 0.072 0.000 4.004 394 R HA -0.208 4.118 4.340 -0.024 0.000 0.338 394 R C -0.238 175.997 176.300 -0.108 0.000 1.238 394 R CA 2.075 58.192 56.100 0.029 0.000 1.029 394 R CB -2.157 28.221 30.300 0.129 0.000 1.451 394 R HN 0.896 nan 8.270 nan 0.000 0.566 395 F N -0.208 119.635 119.950 -0.180 0.000 2.941 395 F HA 0.349 4.861 4.527 -0.024 0.000 0.359 395 F C 0.848 176.257 175.800 -0.652 0.000 1.231 395 F CA -0.586 57.221 58.000 -0.323 0.000 1.089 395 F CB 1.294 40.152 39.000 -0.237 0.000 1.407 395 F HN -0.241 nan 8.300 nan 0.000 0.538 396 R N 2.063 122.273 120.500 -0.483 0.000 2.659 396 R HA 0.742 5.068 4.340 -0.024 0.000 0.418 396 R C -0.724 175.357 176.300 -0.366 0.000 1.076 396 R CA -0.368 55.437 56.100 -0.492 0.000 1.093 396 R CB 1.243 31.412 30.300 -0.220 0.000 1.400 396 R HN 0.415 nan 8.270 nan 0.000 0.583 397 A N 1.084 123.674 122.820 -0.382 0.000 2.547 397 A HA 0.496 4.802 4.320 -0.024 0.000 0.300 397 A C -1.603 176.119 177.584 0.229 0.000 1.061 397 A CA -0.567 51.471 52.037 0.002 0.000 0.808 397 A CB 1.401 20.369 19.000 -0.055 0.000 1.304 397 A HN 0.133 nan 8.150 nan 0.000 0.393 398 I N 1.735 122.563 120.570 0.430 0.000 3.102 398 I HA 0.721 4.876 4.170 -0.024 0.000 0.310 398 I C -1.536 174.676 176.117 0.158 0.000 1.246 398 I CA -0.672 60.841 61.300 0.355 0.000 0.979 398 I CB 2.287 40.593 38.000 0.511 0.000 1.267 398 I HN 0.864 nan 8.210 nan 0.000 0.451 399 V N 5.623 125.590 119.914 0.089 0.000 2.357 399 V HA 0.549 4.654 4.120 -0.024 0.000 0.281 399 V C -0.261 175.817 176.094 -0.026 0.000 1.015 399 V CA 0.169 62.475 62.300 0.009 0.000 0.827 399 V CB 1.383 33.200 31.823 -0.010 0.000 1.018 399 V HN 0.899 nan 8.190 nan 0.000 0.432 400 S N 4.315 119.980 115.700 -0.057 0.000 2.505 400 S HA 0.626 5.082 4.470 -0.024 0.000 0.273 400 S C 0.721 175.182 174.600 -0.231 0.000 1.123 400 S CA 0.321 58.463 58.200 -0.097 0.000 1.006 400 S CB 1.851 65.019 63.200 -0.054 0.000 1.243 400 S HN 1.251 nan 8.310 nan 0.000 0.498 401 S N -0.261 115.272 115.700 -0.279 0.000 2.933 401 S HA 0.295 4.751 4.470 -0.024 0.000 0.236 401 S C -0.892 173.452 174.600 -0.427 0.000 0.836 401 S CA -0.334 57.533 58.200 -0.556 0.000 1.298 401 S CB -0.433 62.522 63.200 -0.407 0.000 1.243 401 S HN 0.678 nan 8.310 nan 0.000 0.607 402 Q N 1.477 121.256 119.800 -0.035 0.000 2.352 402 Q HA 0.426 4.751 4.340 -0.024 0.000 0.270 402 Q C -0.731 175.436 176.000 0.278 0.000 1.006 402 Q CA -0.691 55.260 55.803 0.246 0.000 0.880 402 Q CB 2.001 30.796 28.738 0.094 0.000 1.392 402 Q HN 0.360 nan 8.270 nan 0.000 0.401 403 V N 2.007 122.070 119.914 0.248 0.000 2.539 403 V HA 0.021 4.127 4.120 -0.024 0.000 0.300 403 V C 0.384 176.502 176.094 0.040 0.000 1.019 403 V CA 0.062 62.407 62.300 0.075 0.000 1.160 403 V CB -0.075 31.754 31.823 0.009 0.000 0.901 403 V HN 0.714 nan 8.190 nan 0.000 0.481 404 L N 4.134 125.357 121.223 -0.000 0.000 2.919 404 L HA 0.375 4.701 4.340 -0.024 0.000 0.242 404 L C 0.327 177.174 176.870 -0.038 0.000 1.366 404 L CA 0.822 55.641 54.840 -0.034 0.000 1.212 404 L CB -1.482 40.524 42.059 -0.089 0.000 1.604 404 L HN 0.897 nan 8.230 nan 0.000 0.433 405 D N 0.749 121.138 120.400 -0.019 0.000 2.454 405 D HA 0.318 4.943 4.640 -0.024 0.000 0.247 405 D C -0.129 176.167 176.300 -0.008 0.000 1.129 405 D CA -0.017 53.971 54.000 -0.020 0.000 0.877 405 D CB 0.880 41.666 40.800 -0.024 0.000 1.082 405 D HN 0.188 nan 8.370 nan 0.000 0.537 406 E N 2.672 122.866 120.200 -0.009 0.000 3.711 406 E HA 0.483 4.818 4.350 -0.024 0.000 0.267 406 E C -0.132 176.464 176.600 -0.005 0.000 1.198 406 E CA -0.665 55.733 56.400 -0.003 0.000 1.150 406 E CB 1.017 30.717 29.700 -0.000 0.000 1.297 406 E HN 0.615 nan 8.360 nan 0.000 0.399 407 G N 0.583 109.379 108.800 -0.006 0.000 2.302 407 G HA2 -0.013 3.932 3.960 -0.024 0.000 0.264 407 G HA3 -0.013 3.932 3.960 -0.024 0.000 0.264 407 G C -0.870 174.027 174.900 -0.006 0.000 1.335 407 G CA -0.947 44.151 45.100 -0.005 0.000 0.982 407 G HN 0.140 nan 8.290 nan 0.000 0.473 408 I N 2.477 123.044 120.570 -0.004 0.000 3.266 408 I HA 0.327 4.483 4.170 -0.024 0.000 0.346 408 I C -0.185 175.930 176.117 -0.004 0.000 1.458 408 I CA -0.033 61.265 61.300 -0.003 0.000 0.997 408 I CB -0.226 37.774 38.000 -0.000 0.000 1.733 408 I HN 0.640 nan 8.210 nan 0.000 0.507 409 D N -0.614 119.781 120.400 -0.008 0.000 3.703 409 D HA 0.498 5.123 4.640 -0.024 0.000 0.315 409 D C -0.238 176.052 176.300 -0.017 0.000 1.464 409 D CA -0.619 53.376 54.000 -0.008 0.000 0.982 409 D CB 1.472 42.268 40.800 -0.006 0.000 1.391 409 D HN -0.231 nan 8.370 nan 0.000 0.625 410 V N -0.265 119.637 119.914 -0.022 0.000 3.344 410 V HA -0.062 4.044 4.120 -0.024 0.000 0.473 410 V C -2.468 173.602 176.094 -0.040 0.000 0.682 410 V CA -0.574 61.699 62.300 -0.045 0.000 2.007 410 V CB -1.552 30.234 31.823 -0.062 0.000 2.460 410 V HN 0.759 nan 8.190 nan 0.000 0.499 411 P HA -0.038 nan 4.420 nan 0.000 0.267 411 P C -0.151 177.177 177.300 0.047 0.000 1.145 411 P CA 0.461 63.591 63.100 0.050 0.000 0.753 411 P CB 0.201 31.979 31.700 0.130 0.000 0.748 412 D N 1.961 122.417 120.400 0.094 0.000 2.482 412 D HA 0.245 4.870 4.640 -0.024 0.000 0.244 412 D C 0.500 176.871 176.300 0.118 0.000 1.242 412 D CA 0.341 54.389 54.000 0.079 0.000 1.097 412 D CB -0.509 40.334 40.800 0.072 0.000 1.109 412 D HN 0.312 nan 8.370 nan 0.000 0.510 413 A N 2.361 125.232 122.820 0.085 0.000 2.548 413 A HA -0.037 4.268 4.320 -0.024 0.000 0.247 413 A C 1.240 178.867 177.584 0.072 0.000 1.067 413 A CA -0.014 52.091 52.037 0.113 0.000 0.757 413 A CB 0.054 19.070 19.000 0.027 0.000 0.996 413 A HN 0.657 nan 8.150 nan 0.000 0.504 414 N N 1.048 119.798 118.700 0.084 0.000 2.356 414 N HA 0.186 4.912 4.740 -0.024 0.000 0.178 414 N C -0.749 174.755 175.510 -0.010 0.000 1.075 414 N CA 0.181 53.255 53.050 0.040 0.000 0.889 414 N CB 0.310 38.825 38.487 0.046 0.000 0.999 414 N HN 0.412 nan 8.380 nan 0.000 0.464 415 V N 0.629 120.536 119.914 -0.012 0.000 2.612 415 V HA 0.485 4.591 4.120 -0.024 0.000 0.301 415 V C -0.004 176.100 176.094 0.018 0.000 1.059 415 V CA -1.008 61.259 62.300 -0.056 0.000 0.886 415 V CB 1.320 33.017 31.823 -0.211 0.000 1.007 415 V HN 0.068 nan 8.190 nan 0.000 0.426 416 G N 2.711 111.540 108.800 0.048 0.000 2.389 416 G HA2 0.694 4.640 3.960 -0.024 0.000 0.328 416 G HA3 0.694 4.640 3.960 -0.024 0.000 0.328 416 G C -1.272 173.707 174.900 0.132 0.000 1.133 416 G CA -0.635 44.495 45.100 0.049 0.000 0.891 416 G HN 0.622 nan 8.290 nan 0.000 0.485 417 V N 2.489 122.463 119.914 0.100 0.000 2.655 417 V HA 0.355 4.461 4.120 -0.024 0.000 0.301 417 V C -0.623 175.534 176.094 0.104 0.000 1.082 417 V CA -0.466 61.900 62.300 0.111 0.000 0.899 417 V CB 1.669 33.502 31.823 0.016 0.000 1.014 417 V HN 0.689 nan 8.190 nan 0.000 0.429 418 I N 5.405 126.046 120.570 0.118 0.000 2.389 418 I HA 0.489 4.644 4.170 -0.024 0.000 0.288 418 I C -0.386 175.789 176.117 0.098 0.000 0.999 418 I CA -0.560 60.829 61.300 0.148 0.000 1.129 418 I CB 1.839 39.935 38.000 0.160 0.000 1.288 418 I HN 0.366 nan 8.210 nan 0.000 0.444 419 M N 5.208 124.869 119.600 0.102 0.000 2.063 419 M HA 0.403 4.868 4.480 -0.024 0.000 0.348 419 M C -0.152 176.205 176.300 0.095 0.000 1.180 419 M CA 0.095 55.432 55.300 0.063 0.000 1.059 419 M CB 0.646 33.291 32.600 0.074 0.000 1.544 419 M HN 0.509 nan 8.290 nan 0.000 0.447 420 S N 1.233 116.886 115.700 -0.080 0.000 2.618 420 S HA 0.910 5.365 4.470 -0.024 0.000 0.284 420 S C 0.810 174.880 174.600 -0.883 0.000 1.102 420 S CA -0.232 57.805 58.200 -0.272 0.000 0.984 420 S CB 1.568 64.678 63.200 -0.150 0.000 1.280 420 S HN 0.829 nan 8.310 nan 0.000 0.525 421 G N 0.687 108.901 108.800 -0.977 0.000 2.851 421 G HA2 0.249 4.195 3.960 -0.024 0.000 0.208 421 G HA3 0.249 4.195 3.960 -0.024 0.000 0.208 421 G C 0.948 175.590 174.900 -0.430 0.000 1.894 421 G CA 0.564 45.081 45.100 -0.972 0.000 0.732 421 G HN 0.708 nan 8.290 nan 0.000 0.802 422 S N -0.512 115.027 115.700 -0.267 0.000 2.503 422 S HA 0.446 4.902 4.470 -0.024 0.000 0.215 422 S C 1.082 175.675 174.600 -0.011 0.000 1.003 422 S CA 0.745 58.892 58.200 -0.089 0.000 0.910 422 S CB 0.210 63.433 63.200 0.038 0.000 0.790 422 S HN 0.831 nan 8.310 nan 0.000 0.514 423 G N 0.482 109.261 108.800 -0.035 0.000 2.932 423 G HA2 0.581 4.527 3.960 -0.024 0.000 0.283 423 G HA3 0.581 4.527 3.960 -0.024 0.000 0.283 423 G C -1.350 173.551 174.900 0.002 0.000 1.336 423 G CA -0.652 44.467 45.100 0.033 0.000 1.056 423 G HN 0.277 nan 8.290 nan 0.000 0.522 424 S N -1.193 114.534 115.700 0.044 0.000 2.454 424 S HA 0.606 5.061 4.470 -0.024 0.000 0.306 424 S C 0.044 174.688 174.600 0.073 0.000 1.100 424 S CA -0.217 58.006 58.200 0.038 0.000 1.087 424 S CB 1.096 64.318 63.200 0.036 0.000 1.019 424 S HN 1.292 nan 8.310 nan 0.000 0.480 425 A N 5.678 128.561 122.820 0.104 0.000 2.621 425 A HA 0.407 4.712 4.320 -0.024 0.000 0.329 425 A C 1.202 178.812 177.584 0.042 0.000 1.458 425 A CA -0.620 51.498 52.037 0.134 0.000 1.052 425 A CB 0.048 19.286 19.000 0.396 0.000 1.142 425 A HN 0.830 nan 8.150 nan 0.000 0.523 426 R N 1.439 121.935 120.500 -0.006 0.000 2.148 426 R HA -0.116 4.210 4.340 -0.024 0.000 0.227 426 R C 1.817 178.055 176.300 -0.104 0.000 1.103 426 R CA 1.401 57.486 56.100 -0.025 0.000 0.983 426 R CB -0.153 30.145 30.300 -0.003 0.000 0.874 426 R HN 0.917 nan 8.270 nan 0.000 0.451 427 E N 0.271 120.330 120.200 -0.234 0.000 2.051 427 E HA -0.211 4.124 4.350 -0.024 0.000 0.192 427 E C 1.448 177.764 176.600 -0.474 0.000 0.991 427 E CA 1.431 57.588 56.400 -0.404 0.000 0.799 427 E CB -0.774 28.555 29.700 -0.619 0.000 0.748 427 E HN 0.372 nan 8.360 nan 0.000 0.449 428 Y N 0.932 121.145 120.300 -0.145 0.000 2.561 428 Y HA 0.040 4.575 4.550 -0.024 0.000 0.291 428 Y C 2.393 178.157 175.900 -0.227 0.000 1.141 428 Y CA -0.062 57.851 58.100 -0.312 0.000 1.303 428 Y CB -0.207 37.924 38.460 -0.549 0.000 1.015 428 Y HN -0.022 nan 8.280 nan 0.000 0.547 429 I N 0.363 120.913 120.570 -0.034 0.000 2.113 429 I HA -0.307 3.849 4.170 -0.024 0.000 0.238 429 I C 2.133 178.241 176.117 -0.014 0.000 1.070 429 I CA 1.575 62.879 61.300 0.006 0.000 1.332 429 I CB -1.327 36.699 38.000 0.043 0.000 1.044 429 I HN 0.324 nan 8.210 nan 0.000 0.402 430 Q N 0.081 119.877 119.800 -0.006 0.000 1.942 430 Q HA -0.221 4.105 4.340 -0.024 0.000 0.203 430 Q C 2.338 178.291 176.000 -0.079 0.000 0.987 430 Q CA 1.404 57.212 55.803 0.008 0.000 0.844 430 Q CB -0.322 28.424 28.738 0.013 0.000 0.911 430 Q HN 0.242 nan 8.270 nan 0.000 0.423 431 R N 0.854 121.298 120.500 -0.093 0.000 2.196 431 R HA -0.197 4.129 4.340 -0.024 0.000 0.244 431 R C 2.120 178.339 176.300 -0.135 0.000 1.121 431 R CA 1.578 57.616 56.100 -0.103 0.000 0.930 431 R CB -1.238 28.997 30.300 -0.108 0.000 0.890 431 R HN 0.287 nan 8.270 nan 0.000 0.435 432 L N -0.017 121.103 121.223 -0.171 0.000 2.275 432 L HA -0.009 4.317 4.340 -0.024 0.000 0.215 432 L C 1.739 178.452 176.870 -0.261 0.000 1.119 432 L CA 2.138 56.863 54.840 -0.191 0.000 0.790 432 L CB -1.278 40.665 42.059 -0.193 0.000 0.919 432 L HN 0.396 nan 8.230 nan 0.000 0.443 433 G N 0.727 109.305 108.800 -0.369 0.000 2.403 433 G HA2 -0.242 3.704 3.960 -0.024 0.000 0.216 433 G HA3 -0.242 3.704 3.960 -0.024 0.000 0.216 433 G C 1.587 176.095 174.900 -0.652 0.000 1.154 433 G CA 0.497 45.097 45.100 -0.832 0.000 0.784 433 G HN 0.553 nan 8.290 nan 0.000 0.538 434 R N 0.072 120.400 120.500 -0.287 0.000 2.200 434 R HA 0.253 4.579 4.340 -0.024 0.000 0.208 434 R C 2.073 178.310 176.300 -0.104 0.000 1.033 434 R CA 0.449 56.472 56.100 -0.129 0.000 1.000 434 R CB -0.447 29.827 30.300 -0.044 0.000 0.906 434 R HN 0.358 nan 8.270 nan 0.000 0.462 435 I N 1.496 121.990 120.570 -0.127 0.000 2.830 435 I HA -0.043 4.113 4.170 -0.024 0.000 0.263 435 I C 0.786 176.850 176.117 -0.088 0.000 1.230 435 I CA 0.465 61.709 61.300 -0.093 0.000 1.480 435 I CB 0.062 38.003 38.000 -0.098 0.000 1.095 435 I HN 0.061 nan 8.210 nan 0.000 0.455 436 L N 1.964 123.108 121.223 -0.131 0.000 2.283 436 L HA 0.207 4.533 4.340 -0.024 0.000 0.287 436 L C -0.013 176.831 176.870 -0.043 0.000 1.073 436 L CA -0.233 54.549 54.840 -0.097 0.000 0.822 436 L CB 0.482 42.441 42.059 -0.167 0.000 1.186 436 L HN 0.051 nan 8.230 nan 0.000 0.436 437 R N 5.567 126.066 120.500 -0.002 0.000 2.407 437 R HA 0.421 4.747 4.340 -0.024 0.000 0.303 437 R C -2.380 173.942 176.300 0.037 0.000 0.981 437 R CA -1.916 54.197 56.100 0.022 0.000 0.905 437 R CB 1.032 31.347 30.300 0.025 0.000 1.099 437 R HN 0.260 nan 8.270 nan 0.000 0.459 438 P HA 0.001 nan 4.420 nan 0.000 0.271 438 P C -0.581 176.745 177.300 0.043 0.000 1.220 438 P CA -0.165 62.965 63.100 0.051 0.000 0.768 438 P CB 1.227 32.960 31.700 0.055 0.000 0.848 439 S N 2.753 118.480 115.700 0.046 0.000 2.555 439 S HA -0.058 4.397 4.470 -0.024 0.000 0.293 439 S C 1.530 176.152 174.600 0.037 0.000 1.248 439 S CA -0.234 57.992 58.200 0.043 0.000 1.096 439 S CB -0.240 62.990 63.200 0.050 0.000 0.881 439 S HN 0.377 nan 8.310 nan 0.000 0.498 440 K N 4.854 125.274 120.400 0.032 0.000 2.277 440 K HA -0.171 4.134 4.320 -0.024 0.000 0.206 440 K C 1.608 178.222 176.600 0.023 0.000 1.044 440 K CA 2.240 58.543 56.287 0.026 0.000 0.932 440 K CB -0.836 31.677 32.500 0.023 0.000 0.726 440 K HN 0.715 nan 8.250 nan 0.000 0.473 441 G N -1.324 107.492 108.800 0.026 0.000 2.838 441 G HA2 -0.029 3.917 3.960 -0.024 0.000 0.210 441 G HA3 -0.029 3.917 3.960 -0.024 0.000 0.210 441 G C 1.061 175.976 174.900 0.025 0.000 1.153 441 G CA -0.015 45.099 45.100 0.024 0.000 0.778 441 G HN 0.181 nan 8.290 nan 0.000 0.539 442 K N -0.435 119.983 120.400 0.030 0.000 2.474 442 K HA 0.171 4.477 4.320 -0.024 0.000 0.202 442 K C 0.635 177.253 176.600 0.029 0.000 1.248 442 K CA -0.305 56.001 56.287 0.032 0.000 0.946 442 K CB 0.520 33.046 32.500 0.044 0.000 1.102 442 K HN -0.003 nan 8.250 nan 0.000 0.541 443 K N 2.377 122.796 120.400 0.031 0.000 3.730 443 K HA -0.202 4.104 4.320 -0.024 0.000 0.276 443 K C -1.397 175.225 176.600 0.038 0.000 0.904 443 K CA 0.892 57.198 56.287 0.031 0.000 0.741 443 K CB -1.405 31.107 32.500 0.020 0.000 1.542 443 K HN 0.481 nan 8.250 nan 0.000 0.446 444 E N -0.876 119.354 120.200 0.051 0.000 2.749 444 E HA 0.202 4.537 4.350 -0.024 0.000 0.360 444 E C -0.577 176.068 176.600 0.074 0.000 1.037 444 E CA 0.284 56.720 56.400 0.061 0.000 0.684 444 E CB 0.501 30.219 29.700 0.029 0.000 1.422 444 E HN 0.478 nan 8.360 nan 0.000 0.407 445 A N 1.458 124.344 122.820 0.109 0.000 2.307 445 A HA 0.579 4.885 4.320 -0.024 0.000 0.271 445 A C -0.034 177.600 177.584 0.083 0.000 1.188 445 A CA -0.098 51.990 52.037 0.086 0.000 0.810 445 A CB 0.601 19.644 19.000 0.072 0.000 1.123 445 A HN 0.262 nan 8.150 nan 0.000 0.509 446 V N 0.113 120.045 119.914 0.030 0.000 2.567 446 V HA 0.362 4.468 4.120 -0.024 0.000 0.298 446 V C -0.567 175.505 176.094 -0.037 0.000 1.047 446 V CA -0.183 62.087 62.300 -0.050 0.000 0.880 446 V CB 1.172 32.924 31.823 -0.118 0.000 1.009 446 V HN 0.759 nan 8.190 nan 0.000 0.429 447 L N 5.328 126.538 121.223 -0.022 0.000 2.289 447 L HA 0.645 4.971 4.340 -0.024 0.000 0.285 447 L C -1.489 175.351 176.870 -0.051 0.000 1.049 447 L CA -0.398 54.465 54.840 0.039 0.000 0.804 447 L CB 1.162 43.283 42.059 0.103 0.000 1.195 447 L HN 0.631 nan 8.230 nan 0.000 0.428 448 Y N 3.334 123.645 120.300 0.019 0.000 2.426 448 Y HA 0.290 4.826 4.550 -0.024 0.000 0.325 448 Y C -0.182 175.712 175.900 -0.012 0.000 0.989 448 Y CA -0.706 57.400 58.100 0.009 0.000 1.284 448 Y CB 1.283 39.752 38.460 0.014 0.000 1.104 448 Y HN 0.509 nan 8.280 nan 0.000 0.481 449 E N 4.714 124.969 120.200 0.091 0.000 2.130 449 E HA 0.382 4.718 4.350 -0.024 0.000 0.284 449 E C -1.246 175.317 176.600 -0.062 0.000 1.018 449 E CA -0.406 56.005 56.400 0.019 0.000 0.817 449 E CB 0.634 30.323 29.700 -0.018 0.000 1.078 449 E HN 0.637 nan 8.360 nan 0.000 0.396 450 L N 6.915 128.104 121.223 -0.057 0.000 2.260 450 L HA 0.424 4.749 4.340 -0.024 0.000 0.289 450 L C -0.077 176.677 176.870 -0.194 0.000 1.057 450 L CA -0.456 54.315 54.840 -0.115 0.000 0.811 450 L CB 0.365 42.389 42.059 -0.058 0.000 1.184 450 L HN 0.548 nan 8.230 nan 0.000 0.429 451 I N 1.180 121.566 120.570 -0.306 0.000 2.750 451 I HA 0.458 4.614 4.170 -0.024 0.000 0.308 451 I C 0.236 176.239 176.117 -0.191 0.000 1.016 451 I CA -0.408 60.711 61.300 -0.302 0.000 1.098 451 I CB 2.228 39.979 38.000 -0.415 0.000 1.279 451 I HN 0.498 nan 8.210 nan 0.000 0.454 452 S N 2.390 118.000 115.700 -0.150 0.000 2.747 452 S HA 0.595 5.051 4.470 -0.024 0.000 0.300 452 S C 0.135 174.694 174.600 -0.069 0.000 1.121 452 S CA -0.868 57.257 58.200 -0.126 0.000 0.995 452 S CB 1.855 64.927 63.200 -0.214 0.000 1.113 452 S HN 0.447 nan 8.310 nan 0.000 0.547 453 R N -0.098 120.309 120.500 -0.153 0.000 2.138 453 R HA 0.655 4.981 4.340 -0.024 0.000 0.129 453 R C 1.467 177.704 176.300 -0.105 0.000 1.410 453 R CA 0.398 56.382 56.100 -0.194 0.000 1.523 453 R CB -1.016 28.958 30.300 -0.544 0.000 1.468 453 R HN 0.957 nan 8.270 nan 0.000 0.550 454 G N -1.855 106.951 108.800 0.010 0.000 2.397 454 G HA2 -0.284 3.662 3.960 -0.024 0.000 0.211 454 G HA3 -0.284 3.662 3.960 -0.024 0.000 0.211 454 G C 0.713 175.812 174.900 0.332 0.000 1.077 454 G CA 1.186 46.408 45.100 0.204 0.000 0.649 454 G HN 0.918 nan 8.290 nan 0.000 0.511 455 T N -1.730 112.988 114.554 0.274 0.000 4.382 455 T HA 0.652 4.988 4.350 -0.024 0.000 0.300 455 T C 1.573 176.392 174.700 0.200 0.000 0.936 455 T CA 1.753 63.996 62.100 0.237 0.000 0.660 455 T CB -0.307 68.694 68.868 0.222 0.000 1.055 455 T HN 2.378 nan 8.240 nan 0.000 0.765 456 G N 0.000 108.910 108.800 0.183 0.000 5.446 456 G HA2 0.000 3.946 3.960 -0.024 0.000 0.244 456 G HA3 0.000 3.946 3.960 -0.024 0.000 0.244 456 G CA 0.000 45.191 45.100 0.151 0.000 0.502 456 G HN 0.000 nan 8.290 nan 0.000 0.925