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 2j25_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.558 177.584 -0.044 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 2 R N 1.150 121.585 120.500 -0.108 0.000 2.439 2 R HA 0.556 4.899 4.340 0.006 0.000 0.310 2 R C -2.866 173.379 176.300 -0.092 0.000 0.955 2 R CA -1.867 54.152 56.100 -0.136 0.000 0.853 2 R CB 2.335 32.407 30.300 -0.379 0.000 1.171 2 R HN 0.363 nan 8.270 nan 0.000 0.449 3 P HA 0.075 nan 4.420 nan 0.000 0.277 3 P C -0.432 176.918 177.300 0.083 0.000 1.271 3 P CA -0.629 62.486 63.100 0.025 0.000 0.795 3 P CB 0.763 32.487 31.700 0.040 0.000 1.101 4 c N 2.669 121.281 118.600 0.020 0.000 2.482 4 c HA 0.291 4.864 4.570 0.006 0.000 0.378 4 c C 0.608 174.725 174.090 0.045 0.000 1.284 4 c CA -0.737 55.609 56.329 0.028 0.000 1.826 4 c CB -1.984 40.490 42.510 -0.059 0.000 2.473 4 c HN 0.263 nan 8.230 nan 0.000 0.562 5 I N 9.477 130.089 120.570 0.070 0.000 2.389 5 I HA 0.234 4.408 4.170 0.006 0.000 0.295 5 I C -1.622 174.498 176.117 0.004 0.000 1.117 5 I CA -2.248 59.039 61.300 -0.022 0.000 1.317 5 I CB 0.000 37.928 38.000 -0.121 0.000 1.431 5 I HN 0.568 nan 8.210 nan 0.000 0.521 6 P HA 0.247 nan 4.420 nan 0.000 0.276 6 P C -0.558 176.756 177.300 0.023 0.000 1.230 6 P CA -0.424 62.689 63.100 0.021 0.000 0.776 6 P CB 1.549 33.248 31.700 -0.001 0.000 0.888 7 K N 1.441 121.883 120.400 0.070 0.000 2.422 7 K HA 0.468 4.791 4.320 0.006 0.000 0.251 7 K C -0.854 175.763 176.600 0.028 0.000 0.933 7 K CA -0.678 55.617 56.287 0.013 0.000 0.798 7 K CB 1.794 34.317 32.500 0.038 0.000 1.238 7 K HN 0.325 nan 8.250 nan 0.000 0.428 8 S N 2.558 118.191 115.700 -0.112 0.000 2.525 8 S HA 0.507 4.980 4.470 0.006 0.000 0.290 8 S C -0.577 173.864 174.600 -0.266 0.000 1.152 8 S CA -0.531 57.626 58.200 -0.073 0.000 1.072 8 S CB 0.329 63.474 63.200 -0.091 0.000 1.027 8 S HN 0.546 nan 8.310 nan 0.000 0.500 9 F N 2.423 122.313 119.950 -0.100 0.000 2.735 9 F HA 0.397 4.928 4.527 0.006 0.000 0.308 9 F C 1.574 177.148 175.800 -0.377 0.000 1.112 9 F CA 0.176 58.082 58.000 -0.156 0.000 1.235 9 F CB 0.895 39.858 39.000 -0.062 0.000 1.027 9 F HN 0.880 nan 8.300 nan 0.000 0.528 10 G N -0.842 107.819 108.800 -0.231 0.000 2.195 10 G HA2 -0.279 3.685 3.960 0.006 0.000 0.224 10 G HA3 -0.279 3.685 3.960 0.006 0.000 0.224 10 G C 0.114 174.769 174.900 -0.408 0.000 0.990 10 G CA -0.406 44.462 45.100 -0.386 0.000 0.639 10 G HN 0.328 nan 8.290 nan 0.000 0.514 11 Y N 0.984 121.326 120.300 0.070 0.000 2.436 11 Y HA 0.447 5.001 4.550 0.006 0.000 0.336 11 Y C 2.268 178.200 175.900 0.054 0.000 1.318 11 Y CA 0.039 58.177 58.100 0.062 0.000 1.493 11 Y CB 0.630 39.131 38.460 0.069 0.000 1.547 11 Y HN 0.200 nan 8.280 nan 0.000 0.549 12 S N -1.126 114.722 115.700 0.247 0.000 2.465 12 S HA -0.065 4.408 4.470 0.006 0.000 0.241 12 S C 0.590 175.253 174.600 0.106 0.000 1.000 12 S CA 1.017 59.291 58.200 0.125 0.000 0.964 12 S CB -0.233 63.033 63.200 0.109 0.000 0.763 12 S HN 0.500 nan 8.310 nan 0.000 0.512 13 S N -0.890 114.919 115.700 0.182 0.000 2.727 13 S HA 0.587 5.061 4.470 0.006 0.000 0.278 13 S C -0.976 173.736 174.600 0.187 0.000 1.186 13 S CA -0.359 57.938 58.200 0.161 0.000 0.836 13 S CB 0.987 64.337 63.200 0.250 0.000 1.186 13 S HN 0.751 nan 8.310 nan 0.000 0.499 14 V N 1.086 121.098 119.914 0.163 0.000 2.837 14 V HA 0.917 5.040 4.120 0.006 0.000 0.310 14 V C 0.403 176.621 176.094 0.206 0.000 1.059 14 V CA -0.425 61.973 62.300 0.162 0.000 1.004 14 V CB 0.866 32.747 31.823 0.097 0.000 1.045 14 V HN 0.946 nan 8.190 nan 0.000 0.465 15 V N -0.408 119.632 119.914 0.211 0.000 2.966 15 V HA 0.629 4.753 4.120 0.006 0.000 0.317 15 V C 0.068 176.284 176.094 0.204 0.000 1.070 15 V CA -0.615 61.816 62.300 0.218 0.000 1.008 15 V CB 1.267 33.197 31.823 0.179 0.000 1.070 15 V HN 1.053 nan 8.190 nan 0.000 0.457 16 c N 2.651 121.371 118.600 0.201 0.000 2.239 16 c HA 0.563 5.137 4.570 0.006 0.000 0.325 16 c C 0.384 174.523 174.090 0.082 0.000 1.231 16 c CA -0.699 55.704 56.329 0.125 0.000 1.652 16 c CB -0.152 42.430 42.510 0.120 0.000 2.284 16 c HN 0.726 nan 8.230 nan 0.000 0.499 17 V N 3.788 123.758 119.914 0.093 0.000 2.439 17 V HA 0.143 4.267 4.120 0.006 0.000 0.271 17 V C 0.483 176.466 176.094 -0.184 0.000 1.040 17 V CA 0.125 62.432 62.300 0.011 0.000 1.002 17 V CB -0.262 31.616 31.823 0.093 0.000 1.000 17 V HN 1.028 nan 8.190 nan 0.000 0.477 18 c N 5.997 124.279 118.600 -0.530 0.000 2.454 18 c HA 0.773 5.347 4.570 0.006 0.000 0.336 18 c C 0.577 174.273 174.090 -0.656 0.000 1.189 18 c CA -0.558 55.356 56.329 -0.691 0.000 1.877 18 c CB 1.228 42.873 42.510 -1.442 0.000 2.348 18 c HN 1.102 nan 8.230 nan 0.000 0.508 19 N N 0.677 119.195 118.700 -0.303 0.000 3.643 19 N HA 0.498 5.242 4.740 0.006 0.000 0.336 19 N C 0.319 175.842 175.510 0.022 0.000 1.559 19 N CA 0.015 52.988 53.050 -0.129 0.000 0.644 19 N CB -0.017 38.420 38.487 -0.083 0.000 2.909 19 N HN 0.433 nan 8.380 nan 0.000 0.592 20 A N -1.263 121.581 122.820 0.039 0.000 2.072 20 A HA 0.106 4.430 4.320 0.006 0.000 0.216 20 A C 1.555 179.171 177.584 0.053 0.000 1.156 20 A CA 1.978 54.051 52.037 0.060 0.000 0.701 20 A CB -1.071 17.954 19.000 0.042 0.000 0.816 20 A HN 0.845 nan 8.150 nan 0.000 0.458 21 T N -5.795 108.792 114.554 0.056 0.000 2.975 21 T HA 0.316 4.670 4.350 0.006 0.000 0.257 21 T C -0.060 174.704 174.700 0.106 0.000 1.003 21 T CA -0.061 62.078 62.100 0.065 0.000 0.932 21 T CB -0.130 68.775 68.868 0.061 0.000 1.087 21 T HN 0.287 nan 8.240 nan 0.000 0.512 22 Y N 0.200 120.467 120.300 -0.056 0.000 2.433 22 Y HA 0.594 5.148 4.550 0.007 0.000 0.337 22 Y C -1.509 174.316 175.900 -0.125 0.000 1.026 22 Y CA -1.408 56.647 58.100 -0.076 0.000 1.037 22 Y CB 1.853 40.265 38.460 -0.079 0.000 1.245 22 Y HN 0.322 nan 8.280 nan 0.000 0.443 23 c N 6.553 124.843 118.600 -0.516 0.000 3.082 23 c HA 0.372 4.946 4.570 0.006 0.000 0.324 23 c C -1.484 172.301 174.090 -0.509 0.000 1.210 23 c CA -0.815 55.297 56.329 -0.361 0.000 1.366 23 c CB 0.949 43.349 42.510 -0.184 0.000 1.756 23 c HN 0.919 nan 8.230 nan 0.000 0.485 24 D N 3.271 123.490 120.400 -0.301 0.000 2.390 24 D HA 0.383 5.026 4.640 0.006 0.000 0.249 24 D C -0.151 175.975 176.300 -0.290 0.000 1.144 24 D CA 0.332 54.173 54.000 -0.265 0.000 0.880 24 D CB 1.164 41.894 40.800 -0.117 0.000 1.182 24 D HN 0.741 nan 8.370 nan 0.000 0.451 25 S N 0.826 116.329 115.700 -0.329 0.000 2.588 25 S HA 0.662 5.135 4.470 0.006 0.000 0.275 25 S C -0.854 173.536 174.600 -0.350 0.000 1.130 25 S CA -1.005 57.025 58.200 -0.283 0.000 0.855 25 S CB 1.066 64.179 63.200 -0.144 0.000 1.116 25 S HN 0.349 nan 8.310 nan 0.000 0.472 26 F N 1.081 121.065 119.950 0.057 0.000 2.408 26 F HA 0.504 5.034 4.527 0.006 0.000 0.325 26 F C 0.885 176.725 175.800 0.066 0.000 1.082 26 F CA -0.589 57.463 58.000 0.087 0.000 1.032 26 F CB 0.707 39.773 39.000 0.110 0.000 1.259 26 F HN 0.509 nan 8.300 nan 0.000 0.503 27 D N 0.803 121.380 120.400 0.295 0.000 2.383 27 D HA 0.257 4.901 4.640 0.006 0.000 0.248 27 D C -2.305 174.108 176.300 0.188 0.000 1.170 27 D CA -1.310 52.800 54.000 0.183 0.000 0.977 27 D CB 0.232 41.118 40.800 0.142 0.000 1.120 27 D HN 0.093 nan 8.370 nan 0.000 0.481 28 P HA 0.082 nan 4.420 nan 0.000 0.264 28 P C -2.324 175.051 177.300 0.124 0.000 1.183 28 P CA -0.563 62.604 63.100 0.112 0.000 0.763 28 P CB -0.326 31.424 31.700 0.083 0.000 0.807 29 P HA 0.081 nan 4.420 nan 0.000 0.271 29 P C -0.792 176.573 177.300 0.108 0.000 1.216 29 P CA 0.118 63.307 63.100 0.148 0.000 0.771 29 P CB 0.456 32.245 31.700 0.148 0.000 0.864 30 T N 1.054 115.665 114.554 0.094 0.000 2.829 30 T HA 0.316 4.670 4.350 0.006 0.000 0.282 30 T C 0.210 174.917 174.700 0.012 0.000 0.990 30 T CA -0.387 61.738 62.100 0.042 0.000 1.028 30 T CB 0.354 69.231 68.868 0.015 0.000 0.951 30 T HN 0.142 nan 8.240 nan 0.000 0.460 31 F N 2.996 122.934 119.950 -0.020 0.000 2.578 31 F HA 0.261 4.791 4.527 0.006 0.000 0.376 31 F C -1.477 174.184 175.800 -0.232 0.000 1.085 31 F CA -2.669 55.241 58.000 -0.151 0.000 1.260 31 F CB -0.851 38.057 39.000 -0.153 0.000 1.095 31 F HN 0.562 nan 8.300 nan 0.000 0.573 32 P HA 0.439 nan 4.420 nan 0.000 0.284 32 P C -0.409 176.729 177.300 -0.271 0.000 1.253 32 P CA -0.408 62.572 63.100 -0.200 0.000 0.800 32 P CB 0.889 32.540 31.700 -0.082 0.000 0.961 33 A N 3.547 126.277 122.820 -0.150 0.000 2.555 33 A HA 0.060 4.384 4.320 0.006 0.000 0.233 33 A C 0.442 178.014 177.584 -0.020 0.000 1.060 33 A CA -0.253 51.734 52.037 -0.083 0.000 0.759 33 A CB -0.534 18.439 19.000 -0.045 0.000 0.995 33 A HN 0.710 nan 8.150 nan 0.000 0.506 34 L N 1.926 123.176 121.223 0.045 0.000 2.529 34 L HA 0.360 4.703 4.340 0.006 0.000 0.287 34 L C 1.471 178.376 176.870 0.058 0.000 1.241 34 L CA 2.123 57.022 54.840 0.099 0.000 0.857 34 L CB 0.255 42.376 42.059 0.103 0.000 1.113 34 L HN 1.699 nan 8.230 nan 0.000 0.504 35 G N 1.882 110.719 108.800 0.062 0.000 2.267 35 G HA2 -0.276 3.688 3.960 0.006 0.000 0.257 35 G HA3 -0.276 3.688 3.960 0.006 0.000 0.257 35 G C 0.473 175.385 174.900 0.021 0.000 0.998 35 G CA 0.331 45.447 45.100 0.028 0.000 0.620 35 G HN 0.817 nan 8.290 nan 0.000 0.529 36 T N 1.594 116.161 114.554 0.023 0.000 2.824 36 T HA 0.620 4.973 4.350 0.006 0.000 0.280 36 T C -0.310 174.437 174.700 0.080 0.000 0.995 36 T CA 0.048 62.130 62.100 -0.031 0.000 1.009 36 T CB 1.146 69.968 68.868 -0.076 0.000 0.955 36 T HN 0.824 nan 8.240 nan 0.000 0.452 37 F N 0.519 120.493 119.950 0.040 0.000 2.523 37 F HA 0.873 5.404 4.527 0.006 0.000 0.329 37 F C -0.168 175.689 175.800 0.095 0.000 1.061 37 F CA -1.122 56.960 58.000 0.137 0.000 0.967 37 F CB 1.051 40.126 39.000 0.125 0.000 1.218 37 F HN 0.319 nan 8.300 nan 0.000 0.480 38 S N 1.946 117.861 115.700 0.359 0.000 2.509 38 S HA 0.613 5.086 4.470 0.006 0.000 0.297 38 S C -0.908 173.856 174.600 0.274 0.000 1.118 38 S CA -0.865 57.404 58.200 0.114 0.000 1.074 38 S CB 1.423 64.627 63.200 0.007 0.000 1.038 38 S HN 0.777 nan 8.310 nan 0.000 0.498 39 R N 1.887 122.388 120.500 0.001 0.000 2.513 39 R HA 0.408 4.752 4.340 0.006 0.000 0.301 39 R C -2.059 174.003 176.300 -0.397 0.000 0.968 39 R CA -0.479 55.544 56.100 -0.128 0.000 0.872 39 R CB 0.862 31.175 30.300 0.021 0.000 1.177 39 R HN 0.666 nan 8.270 nan 0.000 0.444 40 Y N 2.047 122.162 120.300 -0.308 0.000 2.334 40 Y HA 0.267 4.820 4.550 0.005 0.000 0.336 40 Y C -0.084 175.781 175.900 -0.057 0.000 0.960 40 Y CA -0.462 57.535 58.100 -0.171 0.000 1.164 40 Y CB 1.838 40.162 38.460 -0.227 0.000 1.155 40 Y HN 0.538 nan 8.280 nan 0.000 0.478 41 E N 2.151 122.402 120.200 0.084 0.000 2.171 41 E HA 0.628 4.981 4.350 0.006 0.000 0.271 41 E C -1.243 175.549 176.600 0.320 0.000 0.916 41 E CA -0.493 55.970 56.400 0.106 0.000 0.774 41 E CB 1.071 30.700 29.700 -0.119 0.000 1.128 41 E HN 0.547 nan 8.360 nan 0.000 0.403 42 S N 2.061 118.012 115.700 0.419 0.000 2.521 42 S HA 0.563 5.037 4.470 0.006 0.000 0.295 42 S C -0.988 173.837 174.600 0.376 0.000 1.098 42 S CA -0.770 57.684 58.200 0.422 0.000 0.999 42 S CB 1.788 65.348 63.200 0.601 0.000 1.034 42 S HN 0.644 nan 8.310 nan 0.000 0.483 43 T N -0.797 113.809 114.554 0.087 0.000 2.909 43 T HA 0.471 4.824 4.350 0.006 0.000 0.299 43 T C 0.753 174.868 174.700 -0.974 0.000 1.073 43 T CA -0.954 60.947 62.100 -0.331 0.000 0.999 43 T CB 1.692 70.479 68.868 -0.135 0.000 1.098 43 T HN 0.464 nan 8.240 nan 0.000 0.477 44 R N 1.345 120.920 120.500 -1.542 0.000 2.105 44 R HA -0.133 4.211 4.340 0.006 0.000 0.239 44 R C 2.090 178.055 176.300 -0.559 0.000 1.135 44 R CA 2.325 57.550 56.100 -1.459 0.000 0.967 44 R CB -0.816 28.741 30.300 -1.239 0.000 0.861 44 R HN 0.836 nan 8.270 nan 0.000 0.442 45 S N -1.601 113.879 115.700 -0.368 0.000 2.442 45 S HA 0.001 4.474 4.470 0.006 0.000 0.236 45 S C 1.427 175.947 174.600 -0.134 0.000 1.007 45 S CA 1.002 59.090 58.200 -0.187 0.000 0.965 45 S CB 0.272 63.401 63.200 -0.118 0.000 0.773 45 S HN 0.608 nan 8.310 nan 0.000 0.504 46 G N 0.265 108.977 108.800 -0.147 0.000 2.870 46 G HA2 -0.046 3.917 3.960 0.006 0.000 0.216 46 G HA3 -0.046 3.917 3.960 0.006 0.000 0.216 46 G C -0.045 174.830 174.900 -0.042 0.000 0.973 46 G CA -0.850 44.209 45.100 -0.069 0.000 0.807 46 G HN 0.377 nan 8.290 nan 0.000 0.573 47 R N 0.717 121.195 120.500 -0.036 0.000 2.438 47 R HA 0.552 4.896 4.340 0.006 0.000 0.287 47 R C -0.312 176.006 176.300 0.030 0.000 1.077 47 R CA -0.159 55.943 56.100 0.003 0.000 1.034 47 R CB 0.507 30.826 30.300 0.032 0.000 0.993 47 R HN -0.062 nan 8.270 nan 0.000 0.459 48 R N 3.973 124.461 120.500 -0.020 0.000 2.358 48 R HA 0.194 4.537 4.340 0.006 0.000 0.309 48 R C 0.027 176.372 176.300 0.074 0.000 1.026 48 R CA -0.475 55.550 56.100 -0.124 0.000 0.909 48 R CB 1.128 31.140 30.300 -0.480 0.000 1.153 48 R HN 0.793 nan 8.270 nan 0.000 0.515 49 M N 0.431 120.193 119.600 0.271 0.000 2.253 49 M HA -0.255 4.228 4.480 0.006 0.000 0.199 49 M C -0.205 176.350 176.300 0.424 0.000 0.342 49 M CA 1.148 56.686 55.300 0.396 0.000 0.417 49 M CB -1.255 31.715 32.600 0.618 0.000 1.338 49 M HN 0.496 nan 8.290 nan 0.000 0.920 50 E N 1.014 121.344 120.200 0.216 0.000 2.376 50 E HA 0.253 4.607 4.350 0.006 0.000 0.266 50 E C -0.363 176.210 176.600 -0.044 0.000 1.009 50 E CA -0.320 56.139 56.400 0.098 0.000 0.902 50 E CB 0.797 30.518 29.700 0.036 0.000 0.972 50 E HN 0.279 nan 8.360 nan 0.000 0.439 51 L N 4.079 125.224 121.223 -0.131 0.000 2.264 51 L HA 0.266 4.610 4.340 0.006 0.000 0.289 51 L C -0.556 176.161 176.870 -0.254 0.000 1.044 51 L CA 0.208 54.804 54.840 -0.407 0.000 0.807 51 L CB 0.878 42.698 42.059 -0.399 0.000 1.192 51 L HN 0.476 nan 8.230 nan 0.000 0.425 52 S N 5.972 121.508 115.700 -0.273 0.000 2.632 52 S HA 0.849 5.323 4.470 0.006 0.000 0.289 52 S C -0.683 173.781 174.600 -0.227 0.000 1.115 52 S CA -0.918 57.171 58.200 -0.186 0.000 0.889 52 S CB 1.852 64.986 63.200 -0.110 0.000 1.116 52 S HN 0.806 nan 8.310 nan 0.000 0.486 53 M N 1.072 120.517 119.600 -0.258 0.000 2.593 53 M HA 0.778 5.262 4.480 0.006 0.000 0.290 53 M C -0.758 175.166 176.300 -0.627 0.000 1.244 53 M CA -0.053 54.986 55.300 -0.435 0.000 0.857 53 M CB 1.534 33.945 32.600 -0.316 0.000 1.738 53 M HN 1.169 nan 8.290 nan 0.000 0.461 54 G N 2.269 110.330 108.800 -1.232 0.000 2.687 54 G HA2 0.796 4.759 3.960 0.006 0.000 0.291 54 G HA3 0.796 4.759 3.960 0.006 0.000 0.291 54 G C -3.369 171.114 174.900 -0.695 0.000 1.420 54 G CA -0.823 43.655 45.100 -1.036 0.000 0.796 54 G HN 0.458 nan 8.290 nan 0.000 0.485 55 P HA 0.526 nan 4.420 nan 0.000 0.294 55 P C -0.700 176.711 177.300 0.185 0.000 1.294 55 P CA -0.572 62.531 63.100 0.005 0.000 0.827 55 P CB 1.861 33.565 31.700 0.008 0.000 0.992 56 I N 3.391 124.033 120.570 0.121 0.000 2.301 56 I HA 0.163 4.336 4.170 0.006 0.000 0.292 56 I C 1.194 177.338 176.117 0.046 0.000 1.046 56 I CA -0.264 61.065 61.300 0.049 0.000 1.282 56 I CB 0.449 38.396 38.000 -0.088 0.000 1.409 56 I HN 0.258 nan 8.210 nan 0.000 0.484 57 Q N 5.728 125.577 119.800 0.083 0.000 2.205 57 Q HA 0.600 4.944 4.340 0.006 0.000 0.249 57 Q C 0.220 176.331 176.000 0.184 0.000 0.948 57 Q CA -0.864 54.998 55.803 0.098 0.000 0.895 57 Q CB 1.938 30.720 28.738 0.074 0.000 1.249 57 Q HN 0.680 nan 8.270 nan 0.000 0.458 58 A N 1.970 124.879 122.820 0.148 0.000 2.251 58 A HA 0.102 4.426 4.320 0.006 0.000 0.209 58 A C -0.218 177.520 177.584 0.256 0.000 1.187 58 A CA 0.107 52.266 52.037 0.203 0.000 0.823 58 A CB -0.224 18.841 19.000 0.109 0.000 0.846 58 A HN 0.650 nan 8.150 nan 0.000 0.486 59 N N -0.390 118.379 118.700 0.115 0.000 2.225 59 N HA 0.370 5.113 4.740 0.006 0.000 0.298 59 N C -1.463 173.740 175.510 -0.512 0.000 1.076 59 N CA -0.397 52.578 53.050 -0.125 0.000 0.792 59 N CB 1.332 39.765 38.487 -0.090 0.000 1.498 59 N HN 0.391 nan 8.380 nan 0.000 0.474 60 H N -0.041 118.404 119.070 -1.041 0.000 2.771 60 H HA 0.597 5.157 4.556 0.006 0.000 0.361 60 H C -1.436 173.589 175.328 -0.506 0.000 1.108 60 H CA -0.479 55.016 56.048 -0.923 0.000 1.201 60 H CB 1.552 30.415 29.762 -1.499 0.000 1.681 60 H HN 0.641 nan 8.280 nan 0.000 0.534 61 T N 1.745 115.713 114.554 -0.976 0.000 2.933 61 T HA 0.715 5.069 4.350 0.006 0.000 0.305 61 T C -0.009 174.178 174.700 -0.854 0.000 1.092 61 T CA -0.146 61.502 62.100 -0.753 0.000 1.008 61 T CB 2.266 70.918 68.868 -0.359 0.000 1.102 61 T HN 0.922 nan 8.240 nan 0.000 0.469 62 G N 0.089 108.556 108.800 -0.555 0.000 2.360 62 G HA2 0.449 4.413 3.960 0.006 0.000 0.276 62 G HA3 0.449 4.413 3.960 0.006 0.000 0.276 62 G C -0.268 174.583 174.900 -0.081 0.000 1.256 62 G CA 0.186 45.131 45.100 -0.257 0.000 0.890 62 G HN 0.851 nan 8.290 nan 0.000 0.486 63 T N -0.840 113.720 114.554 0.010 0.000 3.051 63 T HA 0.379 4.732 4.350 0.006 0.000 0.254 63 T C 1.332 176.061 174.700 0.048 0.000 0.916 63 T CA 1.414 63.526 62.100 0.021 0.000 0.894 63 T CB -0.271 68.597 68.868 0.001 0.000 1.251 63 T HN 1.110 nan 8.240 nan 0.000 0.517 64 G N 1.658 110.498 108.800 0.066 0.000 2.583 64 G HA2 0.424 4.388 3.960 0.006 0.000 0.275 64 G HA3 0.424 4.388 3.960 0.006 0.000 0.275 64 G C -0.346 174.579 174.900 0.042 0.000 1.342 64 G CA -0.493 44.636 45.100 0.048 0.000 1.030 64 G HN 0.343 nan 8.290 nan 0.000 0.520 65 L N -0.786 120.444 121.223 0.012 0.000 2.416 65 L HA 0.492 4.836 4.340 0.006 0.000 0.272 65 L C -0.435 176.417 176.870 -0.030 0.000 1.161 65 L CA -0.401 54.438 54.840 -0.001 0.000 0.845 65 L CB 1.104 43.158 42.059 -0.008 0.000 1.119 65 L HN 0.274 nan 8.230 nan 0.000 0.464 66 L N 6.402 127.616 121.223 -0.016 0.000 2.401 66 L HA 0.447 4.790 4.340 0.006 0.000 0.263 66 L C -1.128 175.732 176.870 -0.017 0.000 1.004 66 L CA -0.177 54.640 54.840 -0.038 0.000 0.881 66 L CB 0.776 42.840 42.059 0.008 0.000 1.219 66 L HN 0.519 nan 8.230 nan 0.000 0.441 67 L N 4.423 125.625 121.223 -0.035 0.000 2.369 67 L HA 0.337 4.681 4.340 0.006 0.000 0.279 67 L C 0.139 177.001 176.870 -0.014 0.000 1.108 67 L CA -0.017 54.815 54.840 -0.013 0.000 0.852 67 L CB 0.385 42.438 42.059 -0.009 0.000 1.169 67 L HN 0.529 nan 8.230 nan 0.000 0.452 68 T N 4.481 119.039 114.554 0.007 0.000 2.743 68 T HA 0.350 4.704 4.350 0.006 0.000 0.292 68 T C -0.001 174.718 174.700 0.032 0.000 0.972 68 T CA -0.501 61.600 62.100 0.003 0.000 0.967 68 T CB 1.405 70.281 68.868 0.014 0.000 0.926 68 T HN 0.251 nan 8.240 nan 0.000 0.459 69 L N 3.376 124.628 121.223 0.049 0.000 2.473 69 L HA 0.215 4.559 4.340 0.006 0.000 0.268 69 L C 0.239 177.149 176.870 0.067 0.000 1.215 69 L CA 0.707 55.604 54.840 0.095 0.000 0.823 69 L CB 0.376 42.541 42.059 0.177 0.000 1.099 69 L HN 0.606 nan 8.230 nan 0.000 0.483 70 Q N 4.707 124.553 119.800 0.077 0.000 3.662 70 Q HA 0.208 4.552 4.340 0.006 0.000 0.237 70 Q C -1.992 174.040 176.000 0.052 0.000 0.895 70 Q CA -1.364 54.475 55.803 0.060 0.000 0.767 70 Q CB 1.165 29.945 28.738 0.069 0.000 1.469 70 Q HN 0.522 nan 8.270 nan 0.000 0.424 71 P HA -0.212 nan 4.420 nan 0.000 0.220 71 P C 0.825 178.129 177.300 0.006 0.000 1.144 71 P CA 1.324 64.443 63.100 0.032 0.000 0.800 71 P CB 0.584 32.304 31.700 0.033 0.000 0.772 72 E N -0.066 120.133 120.200 -0.002 0.000 2.028 72 E HA -0.080 4.274 4.350 0.006 0.000 0.190 72 E C 0.838 177.392 176.600 -0.077 0.000 0.984 72 E CA 0.705 57.088 56.400 -0.029 0.000 0.800 72 E CB -1.164 28.524 29.700 -0.019 0.000 0.758 72 E HN 0.224 nan 8.360 nan 0.000 0.448 73 Q N 1.823 121.573 119.800 -0.082 0.000 2.413 73 Q HA -0.049 4.294 4.340 0.006 0.000 0.298 73 Q C -0.670 175.089 176.000 -0.401 0.000 1.186 73 Q CA 0.954 56.625 55.803 -0.220 0.000 1.014 73 Q CB -0.322 28.384 28.738 -0.054 0.000 1.130 73 Q HN -0.032 nan 8.270 nan 0.000 0.410 74 K N 2.544 122.634 120.400 -0.517 0.000 2.206 74 K HA 0.485 4.808 4.320 0.006 0.000 0.264 74 K C -0.667 175.537 176.600 -0.660 0.000 0.967 74 K CA -0.388 55.654 56.287 -0.409 0.000 0.844 74 K CB 1.048 33.450 32.500 -0.163 0.000 1.099 74 K HN 0.300 nan 8.250 nan 0.000 0.441 75 F N 0.289 120.269 119.950 0.050 0.000 2.977 75 F HA 0.193 4.723 4.527 0.006 0.000 0.317 75 F C 0.684 176.524 175.800 0.067 0.000 1.425 75 F CA -0.869 57.175 58.000 0.075 0.000 1.038 75 F CB 0.013 39.047 39.000 0.056 0.000 1.797 75 F HN 0.363 nan 8.300 nan 0.000 0.442 76 Q N 2.211 122.196 119.800 0.309 0.000 2.395 76 Q HA 0.136 4.479 4.340 0.006 0.000 0.271 76 Q C -1.257 174.820 176.000 0.128 0.000 1.026 76 Q CA 0.091 56.000 55.803 0.175 0.000 0.900 76 Q CB 0.609 29.428 28.738 0.136 0.000 1.266 76 Q HN 0.520 nan 8.270 nan 0.000 0.430 77 K N 1.404 121.866 120.400 0.102 0.000 2.218 77 K HA 0.335 4.659 4.320 0.006 0.000 0.276 77 K C -0.616 176.023 176.600 0.065 0.000 1.022 77 K CA -0.635 55.698 56.287 0.077 0.000 0.946 77 K CB 1.473 34.015 32.500 0.070 0.000 1.000 77 K HN 0.420 nan 8.250 nan 0.000 0.468 78 V N 4.057 123.999 119.914 0.046 0.000 2.488 78 V HA -0.009 4.115 4.120 0.006 0.000 0.277 78 V C 1.211 177.300 176.094 -0.008 0.000 1.046 78 V CA 0.013 62.325 62.300 0.019 0.000 0.986 78 V CB 1.128 32.983 31.823 0.053 0.000 0.989 78 V HN 0.734 nan 8.190 nan 0.000 0.475 79 K N 4.163 124.548 120.400 -0.026 0.000 2.021 79 K HA 0.284 4.607 4.320 0.006 0.000 0.205 79 K C 0.703 177.219 176.600 -0.140 0.000 1.047 79 K CA 1.561 57.807 56.287 -0.068 0.000 0.943 79 K CB -0.200 32.306 32.500 0.010 0.000 0.725 79 K HN 0.983 nan 8.250 nan 0.000 0.439 80 G N -2.216 106.462 108.800 -0.203 0.000 2.356 80 G HA2 0.303 4.267 3.960 0.006 0.000 0.288 80 G HA3 0.303 4.267 3.960 0.006 0.000 0.288 80 G C -1.566 173.030 174.900 -0.506 0.000 1.302 80 G CA -0.859 44.125 45.100 -0.193 0.000 0.887 80 G HN 0.020 nan 8.290 nan 0.000 0.521 81 F N -0.293 119.589 119.950 -0.113 0.000 2.599 81 F HA 0.869 5.399 4.527 0.006 0.000 0.311 81 F C 0.797 176.298 175.800 -0.498 0.000 1.076 81 F CA 0.515 58.378 58.000 -0.229 0.000 0.937 81 F CB 2.493 41.382 39.000 -0.185 0.000 1.282 81 F HN 1.202 nan 8.300 nan 0.000 0.460 82 G N -0.175 108.261 108.800 -0.607 0.000 2.435 82 G HA2 0.601 4.565 3.960 0.006 0.000 0.296 82 G HA3 0.601 4.565 3.960 0.006 0.000 0.296 82 G C -1.332 173.172 174.900 -0.660 0.000 1.240 82 G CA -0.054 44.484 45.100 -0.938 0.000 0.872 82 G HN 1.076 nan 8.290 nan 0.000 0.480 83 G N -1.740 106.928 108.800 -0.219 0.000 2.663 83 G HA2 0.769 4.733 3.960 0.006 0.000 0.299 83 G HA3 0.769 4.733 3.960 0.006 0.000 0.299 83 G C -1.177 173.783 174.900 0.101 0.000 1.372 83 G CA 0.457 45.544 45.100 -0.022 0.000 0.781 83 G HN 1.748 nan 8.290 nan 0.000 0.491 84 A N -0.163 122.748 122.820 0.151 0.000 2.276 84 A HA 0.618 4.941 4.320 0.006 0.000 0.316 84 A C -0.019 177.626 177.584 0.101 0.000 1.229 84 A CA -0.594 51.571 52.037 0.213 0.000 0.851 84 A CB 1.134 20.402 19.000 0.447 0.000 1.165 84 A HN 0.689 nan 8.150 nan 0.000 0.513 85 M N 4.096 123.781 119.600 0.142 0.000 3.436 85 M HA 0.157 4.640 4.480 0.006 0.000 0.240 85 M C 0.784 177.121 176.300 0.062 0.000 1.469 85 M CA -0.041 55.321 55.300 0.103 0.000 1.622 85 M CB -1.115 31.571 32.600 0.142 0.000 1.098 85 M HN 0.766 nan 8.290 nan 0.000 0.568 86 T N -1.660 112.858 114.554 -0.059 0.000 2.816 86 T HA 0.245 4.599 4.350 0.006 0.000 0.282 86 T C 0.896 175.571 174.700 -0.042 0.000 0.993 86 T CA -0.728 61.300 62.100 -0.119 0.000 0.994 86 T CB 0.727 69.364 68.868 -0.386 0.000 1.025 86 T HN 0.442 nan 8.240 nan 0.000 0.529 87 D N 0.725 121.118 120.400 -0.012 0.000 2.149 87 D HA -0.072 4.572 4.640 0.006 0.000 0.198 87 D C 2.281 178.597 176.300 0.027 0.000 0.990 87 D CA 1.703 55.727 54.000 0.040 0.000 0.839 87 D CB -0.711 40.135 40.800 0.076 0.000 0.948 87 D HN 0.730 nan 8.370 nan 0.000 0.460 88 A N 0.867 123.699 122.820 0.020 0.000 1.873 88 A HA 0.029 4.353 4.320 0.006 0.000 0.215 88 A C 2.311 179.892 177.584 -0.005 0.000 1.186 88 A CA 2.099 54.166 52.037 0.049 0.000 0.616 88 A CB -0.771 18.329 19.000 0.167 0.000 0.823 88 A HN 0.227 nan 8.150 nan 0.000 0.442 89 A N 0.055 122.833 122.820 -0.071 0.000 1.858 89 A HA 0.125 4.449 4.320 0.006 0.000 0.216 89 A C 2.551 180.129 177.584 -0.011 0.000 1.190 89 A CA 2.364 54.366 52.037 -0.059 0.000 0.617 89 A CB -1.255 17.692 19.000 -0.088 0.000 0.827 89 A HN 1.163 nan 8.150 nan 0.000 0.443 90 A N -0.582 122.241 122.820 0.004 0.000 1.927 90 A HA -0.174 4.149 4.320 0.006 0.000 0.220 90 A C 2.249 179.839 177.584 0.010 0.000 1.185 90 A CA 1.767 53.815 52.037 0.019 0.000 0.639 90 A CB -0.675 18.345 19.000 0.033 0.000 0.820 90 A HN 0.547 nan 8.150 nan 0.000 0.451 91 L N -0.434 120.796 121.223 0.011 0.000 2.056 91 L HA -0.192 4.152 4.340 0.006 0.000 0.207 91 L C 2.341 179.214 176.870 0.005 0.000 1.078 91 L CA 1.433 56.280 54.840 0.012 0.000 0.749 91 L CB -0.344 41.728 42.059 0.023 0.000 0.901 91 L HN 0.440 nan 8.230 nan 0.000 0.433 92 N N -0.018 118.681 118.700 -0.000 0.000 2.135 92 N HA -0.130 4.613 4.740 0.006 0.000 0.186 92 N C 1.889 177.381 175.510 -0.030 0.000 1.027 92 N CA 1.575 54.620 53.050 -0.009 0.000 0.849 92 N CB -0.215 38.267 38.487 -0.008 0.000 1.002 92 N HN 0.337 nan 8.380 nan 0.000 0.425 93 I N 1.479 122.023 120.570 -0.043 0.000 2.194 93 I HA -0.259 3.914 4.170 0.006 0.000 0.246 93 I C 2.078 178.169 176.117 -0.043 0.000 1.093 93 I CA 1.114 62.373 61.300 -0.069 0.000 1.355 93 I CB -0.300 37.673 38.000 -0.044 0.000 1.046 93 I HN 0.061 nan 8.210 nan 0.000 0.413 94 L N 0.309 121.521 121.223 -0.018 0.000 2.376 94 L HA -0.071 4.273 4.340 0.006 0.000 0.219 94 L C 2.647 179.513 176.870 -0.007 0.000 1.133 94 L CA 0.562 55.396 54.840 -0.010 0.000 0.816 94 L CB -0.405 41.652 42.059 -0.002 0.000 0.933 94 L HN 0.233 nan 8.230 nan 0.000 0.449 95 A N -0.169 122.647 122.820 -0.007 0.000 2.014 95 A HA 0.050 4.373 4.320 0.006 0.000 0.218 95 A C 1.218 178.803 177.584 0.001 0.000 1.163 95 A CA 0.333 52.369 52.037 -0.000 0.000 0.652 95 A CB -0.278 18.724 19.000 0.003 0.000 0.808 95 A HN 0.243 nan 8.150 nan 0.000 0.449 96 L N 0.827 122.047 121.223 -0.005 0.000 2.472 96 L HA 0.182 4.526 4.340 0.006 0.000 0.260 96 L C 1.081 177.957 176.870 0.010 0.000 1.209 96 L CA -0.257 54.587 54.840 0.008 0.000 0.817 96 L CB 0.503 42.563 42.059 0.003 0.000 1.106 96 L HN 0.364 nan 8.230 nan 0.000 0.479 97 S N 0.244 115.957 115.700 0.022 0.000 2.564 97 S HA 0.178 4.652 4.470 0.006 0.000 0.278 97 S C -1.873 172.738 174.600 0.019 0.000 1.333 97 S CA -1.117 57.095 58.200 0.019 0.000 1.048 97 S CB 1.009 64.222 63.200 0.023 0.000 0.900 97 S HN 0.395 nan 8.310 nan 0.000 0.505 98 P HA -0.139 nan 4.420 nan 0.000 0.219 98 P C -1.506 175.806 177.300 0.019 0.000 1.158 98 P CA 1.744 64.851 63.100 0.012 0.000 0.895 98 P CB -1.289 30.418 31.700 0.011 0.000 0.792 99 P HA -0.151 nan 4.420 nan 0.000 0.215 99 P C 1.446 178.780 177.300 0.057 0.000 1.153 99 P CA 2.120 65.241 63.100 0.035 0.000 0.853 99 P CB -0.682 31.039 31.700 0.034 0.000 0.788 100 A N -0.254 122.611 122.820 0.075 0.000 1.930 100 A HA -0.244 4.080 4.320 0.006 0.000 0.217 100 A C 2.218 179.838 177.584 0.061 0.000 1.175 100 A CA 1.453 53.580 52.037 0.150 0.000 0.627 100 A CB -1.270 17.829 19.000 0.166 0.000 0.815 100 A HN 0.210 nan 8.150 nan 0.000 0.443 101 Q N -0.078 119.716 119.800 -0.010 0.000 2.096 101 Q HA -0.169 4.175 4.340 0.006 0.000 0.204 101 Q C 1.643 177.613 176.000 -0.050 0.000 0.982 101 Q CA 1.462 57.223 55.803 -0.070 0.000 0.850 101 Q CB -0.287 28.431 28.738 -0.032 0.000 0.901 101 Q HN 0.668 nan 8.270 nan 0.000 0.422 102 N N 0.557 119.258 118.700 0.002 0.000 2.250 102 N HA -0.047 4.696 4.740 0.006 0.000 0.181 102 N C 1.942 177.474 175.510 0.037 0.000 1.017 102 N CA 0.780 53.843 53.050 0.023 0.000 0.866 102 N CB -0.022 38.483 38.487 0.030 0.000 0.985 102 N HN 0.241 nan 8.380 nan 0.000 0.429 103 L N 1.049 122.310 121.223 0.064 0.000 2.083 103 L HA -0.113 4.230 4.340 0.006 0.000 0.209 103 L C 2.483 179.421 176.870 0.113 0.000 1.083 103 L CA 0.759 55.671 54.840 0.120 0.000 0.752 103 L CB -0.487 41.693 42.059 0.203 0.000 0.899 103 L HN 0.140 nan 8.230 nan 0.000 0.433 104 L N -0.182 120.963 121.223 -0.129 0.000 1.994 104 L HA -0.243 4.100 4.340 0.006 0.000 0.208 104 L C 2.550 179.328 176.870 -0.154 0.000 1.071 104 L CA 1.456 55.989 54.840 -0.510 0.000 0.745 104 L CB -0.085 41.370 42.059 -1.005 0.000 0.892 104 L HN 0.189 nan 8.230 nan 0.000 0.431 105 L N -0.445 120.782 121.223 0.005 0.000 2.027 105 L HA -0.254 4.090 4.340 0.006 0.000 0.206 105 L C 2.634 179.669 176.870 0.274 0.000 1.074 105 L CA 1.395 56.380 54.840 0.242 0.000 0.745 105 L CB -0.509 41.668 42.059 0.196 0.000 0.898 105 L HN 0.218 nan 8.230 nan 0.000 0.433 106 K N -0.292 120.197 120.400 0.148 0.000 2.074 106 K HA -0.195 4.128 4.320 0.006 0.000 0.209 106 K C 2.361 179.027 176.600 0.110 0.000 1.048 106 K CA 1.707 58.074 56.287 0.133 0.000 0.926 106 K CB -0.191 32.358 32.500 0.082 0.000 0.713 106 K HN 0.073 nan 8.250 nan 0.000 0.444 107 S N -0.590 115.140 115.700 0.051 0.000 2.374 107 S HA -0.179 4.294 4.470 0.006 0.000 0.227 107 S C 1.687 176.294 174.600 0.011 0.000 1.037 107 S CA 1.393 59.606 58.200 0.023 0.000 1.024 107 S CB -0.220 62.904 63.200 -0.126 0.000 0.861 107 S HN 0.359 nan 8.310 nan 0.000 0.456 108 Y N -1.637 118.558 120.300 -0.176 0.000 2.343 108 Y HA 0.117 4.671 4.550 0.006 0.000 0.294 108 Y C 1.583 177.020 175.900 -0.771 0.000 1.122 108 Y CA 0.551 58.187 58.100 -0.774 0.000 1.173 108 Y CB 0.156 37.932 38.460 -1.140 0.000 1.077 108 Y HN 0.237 nan 8.280 nan 0.000 0.542 109 F N -1.741 118.277 119.950 0.114 0.000 2.653 109 F HA 0.121 4.651 4.527 0.006 0.000 0.288 109 F C 1.341 177.188 175.800 0.078 0.000 1.121 109 F CA -0.232 57.834 58.000 0.110 0.000 1.384 109 F CB 0.047 39.117 39.000 0.117 0.000 1.115 109 F HN -0.280 nan 8.300 nan 0.000 0.599 110 S N 0.600 116.436 115.700 0.227 0.000 2.603 110 S HA 0.033 4.506 4.470 0.006 0.000 0.268 110 S C 1.344 176.009 174.600 0.109 0.000 1.317 110 S CA -0.411 57.883 58.200 0.156 0.000 1.012 110 S CB 1.189 64.468 63.200 0.132 0.000 0.926 110 S HN 0.405 nan 8.310 nan 0.000 0.539 111 E N 1.417 121.673 120.200 0.093 0.000 2.147 111 E HA -0.229 4.124 4.350 0.006 0.000 0.199 111 E C 1.307 177.972 176.600 0.107 0.000 1.005 111 E CA 1.921 58.364 56.400 0.071 0.000 0.810 111 E CB -0.118 29.627 29.700 0.075 0.000 0.736 111 E HN 0.872 nan 8.360 nan 0.000 0.460 112 E N -0.494 119.788 120.200 0.138 0.000 2.511 112 E HA 0.060 4.413 4.350 0.006 0.000 0.196 112 E C 0.787 177.552 176.600 0.275 0.000 1.066 112 E CA 0.299 56.818 56.400 0.198 0.000 0.871 112 E CB 0.556 30.325 29.700 0.115 0.000 0.863 112 E HN 0.241 nan 8.360 nan 0.000 0.520 113 G N 1.361 110.287 108.800 0.210 0.000 3.039 113 G HA2 0.371 4.334 3.960 0.006 0.000 0.159 113 G HA3 0.371 4.334 3.960 0.006 0.000 0.159 113 G C 0.529 175.499 174.900 0.117 0.000 1.284 113 G CA -0.629 44.598 45.100 0.212 0.000 0.996 113 G HN 0.222 nan 8.290 nan 0.000 0.592 114 I N -2.167 118.357 120.570 -0.077 0.000 3.891 114 I HA 0.471 4.645 4.170 0.006 0.000 0.331 114 I C 1.118 177.100 176.117 -0.225 0.000 1.406 114 I CA 0.192 61.319 61.300 -0.290 0.000 1.139 114 I CB 0.146 37.841 38.000 -0.509 0.000 1.056 114 I HN 0.723 nan 8.210 nan 0.000 0.399 115 G N 1.618 110.356 108.800 -0.103 0.000 2.371 115 G HA2 -0.323 3.641 3.960 0.006 0.000 0.299 115 G HA3 -0.323 3.641 3.960 0.006 0.000 0.299 115 G C -0.037 174.946 174.900 0.140 0.000 1.014 115 G CA 0.022 45.129 45.100 0.012 0.000 1.097 115 G HN 0.678 nan 8.290 nan 0.000 0.512 116 Y N 0.032 120.276 120.300 -0.093 0.000 2.578 116 Y HA 0.080 4.633 4.550 0.006 0.000 0.339 116 Y C 1.665 177.655 175.900 0.150 0.000 1.231 116 Y CA 0.352 58.417 58.100 -0.058 0.000 1.461 116 Y CB 0.626 38.844 38.460 -0.404 0.000 1.323 116 Y HN 0.528 nan 8.280 nan 0.000 0.590 117 N N 1.752 120.590 118.700 0.230 0.000 2.167 117 N HA 0.128 4.871 4.740 0.006 0.000 0.234 117 N C -1.077 174.486 175.510 0.087 0.000 1.312 117 N CA 0.192 53.345 53.050 0.171 0.000 0.861 117 N CB 0.431 38.970 38.487 0.087 0.000 1.217 117 N HN 0.301 nan 8.380 nan 0.000 0.504 118 I N 1.480 122.105 120.570 0.092 0.000 2.545 118 I HA 0.496 4.669 4.170 0.006 0.000 0.292 118 I C -0.651 175.563 176.117 0.162 0.000 1.040 118 I CA -0.708 60.636 61.300 0.073 0.000 1.068 118 I CB 2.249 40.273 38.000 0.040 0.000 1.251 118 I HN -0.110 nan 8.210 nan 0.000 0.424 119 I N 5.064 125.746 120.570 0.187 0.000 2.478 119 I HA 0.367 4.541 4.170 0.006 0.000 0.287 119 I C -0.016 176.243 176.117 0.237 0.000 1.042 119 I CA -0.629 60.801 61.300 0.217 0.000 1.067 119 I CB 2.352 40.467 38.000 0.193 0.000 1.233 119 I HN 0.523 nan 8.210 nan 0.000 0.431 120 R N 5.319 125.969 120.500 0.251 0.000 2.390 120 R HA 0.597 4.940 4.340 0.006 0.000 0.291 120 R C -1.341 175.149 176.300 0.316 0.000 1.070 120 R CA -0.295 55.985 56.100 0.300 0.000 1.014 120 R CB 1.102 31.581 30.300 0.299 0.000 1.007 120 R HN 0.440 nan 8.270 nan 0.000 0.466 121 V N 7.315 127.440 119.914 0.353 0.000 2.378 121 V HA 0.357 4.481 4.120 0.006 0.000 0.288 121 V C -2.237 174.026 176.094 0.281 0.000 1.016 121 V CA -2.219 60.282 62.300 0.334 0.000 0.840 121 V CB 1.537 33.616 31.823 0.427 0.000 0.994 121 V HN 0.842 nan 8.190 nan 0.000 0.431 122 P HA 0.314 nan 4.420 nan 0.000 0.275 122 P C -0.415 176.955 177.300 0.116 0.000 1.227 122 P CA -0.291 62.947 63.100 0.230 0.000 0.781 122 P CB 0.471 32.113 31.700 -0.096 0.000 0.906 123 M N 3.073 122.657 119.600 -0.026 0.000 2.319 123 M HA 0.464 4.947 4.480 0.006 0.000 0.343 123 M C 0.614 176.766 176.300 -0.246 0.000 1.364 123 M CA 0.333 55.545 55.300 -0.147 0.000 1.292 123 M CB -0.756 31.506 32.600 -0.564 0.000 1.432 123 M HN 0.596 nan 8.290 nan 0.000 0.448 124 A N 1.451 124.042 122.820 -0.382 0.000 6.031 124 A HA -0.124 4.200 4.320 0.006 0.000 0.229 124 A C 0.219 177.405 177.584 -0.663 0.000 2.359 124 A CA 0.017 51.600 52.037 -0.756 0.000 0.699 124 A CB -1.686 16.720 19.000 -0.989 0.000 0.885 124 A HN 0.901 nan 8.150 nan 0.000 0.341 125 S N -0.214 114.778 115.700 -1.180 0.000 2.592 125 S HA 0.637 5.111 4.470 0.006 0.000 0.271 125 S C 0.577 174.852 174.600 -0.542 0.000 1.326 125 S CA 0.368 58.016 58.200 -0.919 0.000 1.024 125 S CB 0.557 63.072 63.200 -1.142 0.000 0.921 125 S HN 2.570 nan 8.310 nan 0.000 0.527 126 C N 0.776 119.776 119.300 -0.499 0.000 3.274 126 C HA 0.637 5.101 4.460 0.006 0.000 0.371 126 C C 1.415 176.316 174.990 -0.149 0.000 2.432 126 C CA 0.052 58.762 59.018 -0.514 0.000 1.291 126 C CB 0.476 27.344 27.740 -1.454 0.000 2.851 126 C HN 0.869 nan 8.230 nan 0.000 0.456 127 D N 0.839 121.219 120.400 -0.033 0.000 2.178 127 D HA -0.132 4.511 4.640 0.006 0.000 0.201 127 D C 0.693 176.867 176.300 -0.211 0.000 0.980 127 D CA 1.270 55.240 54.000 -0.049 0.000 0.842 127 D CB -0.517 39.763 40.800 -0.867 0.000 0.948 127 D HN 0.590 nan 8.370 nan 0.000 0.472 128 F N 1.384 121.244 119.950 -0.149 0.000 2.705 128 F HA 0.277 4.808 4.527 0.006 0.000 0.355 128 F C 0.374 176.095 175.800 -0.132 0.000 1.172 128 F CA -0.035 57.852 58.000 -0.188 0.000 1.332 128 F CB -0.018 38.730 39.000 -0.419 0.000 1.621 128 F HN -0.246 nan 8.300 nan 0.000 0.605 129 S N 0.387 116.105 115.700 0.031 0.000 2.627 129 S HA 0.440 4.913 4.470 0.006 0.000 0.283 129 S C 0.763 175.403 174.600 0.066 0.000 1.127 129 S CA -0.778 57.439 58.200 0.028 0.000 0.863 129 S CB 1.818 64.984 63.200 -0.057 0.000 1.121 129 S HN 0.400 nan 8.310 nan 0.000 0.479 130 I N -0.573 120.036 120.570 0.066 0.000 3.812 130 I HA 0.391 4.564 4.170 0.006 0.000 0.320 130 I C 0.095 176.236 176.117 0.040 0.000 1.276 130 I CA -0.102 61.248 61.300 0.082 0.000 1.164 130 I CB -0.322 37.717 38.000 0.064 0.000 1.009 130 I HN 0.588 nan 8.210 nan 0.000 0.431 131 R N 0.165 120.629 120.500 -0.061 0.000 2.736 131 R HA 0.278 4.621 4.340 0.006 0.000 0.250 131 R C -0.725 175.439 176.300 -0.227 0.000 1.098 131 R CA -0.400 55.622 56.100 -0.131 0.000 0.978 131 R CB -0.216 30.072 30.300 -0.020 0.000 1.263 131 R HN 0.133 nan 8.270 nan 0.000 0.460 132 T N 0.720 114.978 114.554 -0.493 0.000 2.814 132 T HA 0.545 4.898 4.350 0.006 0.000 0.297 132 T C -0.311 174.282 174.700 -0.178 0.000 0.956 132 T CA -0.200 61.571 62.100 -0.548 0.000 1.123 132 T CB 0.238 68.676 68.868 -0.717 0.000 0.902 132 T HN 0.719 nan 8.240 nan 0.000 0.528 133 Y N -0.382 119.761 120.300 -0.262 0.000 2.565 133 Y HA 0.651 5.205 4.550 0.006 0.000 0.330 133 Y C -0.411 175.378 175.900 -0.184 0.000 1.150 133 Y CA -1.076 56.919 58.100 -0.174 0.000 1.055 133 Y CB 0.708 39.086 38.460 -0.138 0.000 1.337 133 Y HN 0.915 nan 8.280 nan 0.000 0.457 134 T N -1.935 112.597 114.554 -0.038 0.000 2.804 134 T HA 0.428 4.782 4.350 0.006 0.000 0.272 134 T C -0.277 174.463 174.700 0.066 0.000 0.986 134 T CA -0.583 61.451 62.100 -0.111 0.000 0.999 134 T CB 1.018 69.852 68.868 -0.057 0.000 1.307 134 T HN 0.780 nan 8.240 nan 0.000 0.586 135 Y N -0.176 120.217 120.300 0.156 0.000 2.482 135 Y HA 0.511 5.065 4.550 0.006 0.000 0.270 135 Y C 1.421 177.158 175.900 -0.272 0.000 1.152 135 Y CA -0.315 57.613 58.100 -0.285 0.000 1.292 135 Y CB 0.495 38.327 38.460 -1.047 0.000 1.070 135 Y HN 0.778 nan 8.280 nan 0.000 0.528 136 A N -0.137 122.854 122.820 0.285 0.000 3.007 136 A HA 0.290 4.614 4.320 0.006 0.000 0.314 136 A C -0.518 177.342 177.584 0.460 0.000 1.153 136 A CA -0.508 51.772 52.037 0.404 0.000 0.780 136 A CB 0.010 19.401 19.000 0.651 0.000 1.258 136 A HN 0.129 nan 8.150 nan 0.000 0.460 137 D N 0.651 121.243 120.400 0.320 0.000 2.354 137 D HA 0.034 4.678 4.640 0.006 0.000 0.209 137 D C 0.359 176.830 176.300 0.285 0.000 1.015 137 D CA 0.919 55.094 54.000 0.292 0.000 0.867 137 D CB 0.485 41.384 40.800 0.166 0.000 0.933 137 D HN 0.477 nan 8.370 nan 0.000 0.520 138 T N 3.667 118.348 114.554 0.212 0.000 2.817 138 T HA 0.178 4.532 4.350 0.006 0.000 0.295 138 T C -2.434 172.129 174.700 -0.227 0.000 0.958 138 T CA -1.077 61.045 62.100 0.035 0.000 1.157 138 T CB 1.196 70.079 68.868 0.024 0.000 0.898 138 T HN -0.028 nan 8.240 nan 0.000 0.536 139 P HA 0.238 nan 4.420 nan 0.000 0.276 139 P C -0.016 176.649 177.300 -1.057 0.000 1.230 139 P CA -0.077 62.542 63.100 -0.802 0.000 0.776 139 P CB 0.340 31.904 31.700 -0.226 0.000 0.888 140 D N -0.187 119.089 120.400 -1.872 0.000 2.907 140 D HA -0.168 4.475 4.640 0.006 0.000 0.226 140 D C -0.223 175.408 176.300 -1.115 0.000 1.141 140 D CA 0.921 54.122 54.000 -1.332 0.000 0.779 140 D CB -1.774 38.814 40.800 -0.353 0.000 1.095 140 D HN 0.460 nan 8.370 nan 0.000 0.430 141 D N -0.629 118.882 120.400 -1.482 0.000 3.057 141 D HA 0.153 4.796 4.640 0.006 0.000 0.246 141 D C 1.200 177.381 176.300 -0.197 0.000 1.238 141 D CA -0.463 53.230 54.000 -0.513 0.000 0.949 141 D CB -0.757 39.933 40.800 -0.182 0.000 1.086 141 D HN 0.123 nan 8.370 nan 0.000 0.487 142 F N 0.123 120.058 119.950 -0.025 0.000 2.236 142 F HA -0.172 4.359 4.527 0.006 0.000 0.302 142 F C 2.317 178.192 175.800 0.124 0.000 1.073 142 F CA 0.750 58.873 58.000 0.206 0.000 1.336 142 F CB -0.095 38.961 39.000 0.094 0.000 1.040 142 F HN 0.239 nan 8.300 nan 0.000 0.507 143 Q N 0.126 120.000 119.800 0.123 0.000 2.389 143 Q HA 0.094 4.438 4.340 0.006 0.000 0.204 143 Q C 0.730 176.632 176.000 -0.163 0.000 0.944 143 Q CA 0.448 56.181 55.803 -0.117 0.000 0.908 143 Q CB -0.080 28.407 28.738 -0.418 0.000 1.002 143 Q HN 0.446 nan 8.270 nan 0.000 0.493 144 L N 0.391 121.630 121.223 0.027 0.000 3.597 144 L HA -0.340 4.003 4.340 0.006 0.000 0.440 144 L C 0.223 177.168 176.870 0.125 0.000 1.277 144 L CA 0.386 55.330 54.840 0.173 0.000 0.852 144 L CB -1.935 40.261 42.059 0.227 0.000 1.708 144 L HN 0.446 nan 8.230 nan 0.000 0.885 145 H N -0.993 118.179 119.070 0.169 0.000 2.436 145 H HA -0.030 4.529 4.556 0.006 0.000 0.294 145 H C 1.827 177.245 175.328 0.151 0.000 1.048 145 H CA 1.687 57.814 56.048 0.131 0.000 1.353 145 H CB 0.166 29.980 29.762 0.087 0.000 1.414 145 H HN 0.494 nan 8.280 nan 0.000 0.536 146 N N 0.050 118.913 118.700 0.271 0.000 2.398 146 N HA -0.004 4.740 4.740 0.006 0.000 0.188 146 N C -0.376 175.287 175.510 0.254 0.000 1.122 146 N CA -0.234 52.949 53.050 0.220 0.000 0.866 146 N CB 0.161 38.745 38.487 0.161 0.000 0.970 146 N HN 0.144 nan 8.380 nan 0.000 0.462 147 F N 2.090 122.138 119.950 0.163 0.000 2.604 147 F HA -0.053 4.478 4.527 0.006 0.000 0.393 147 F C 0.516 176.374 175.800 0.096 0.000 1.043 147 F CA 0.096 58.183 58.000 0.144 0.000 1.227 147 F CB 0.216 39.264 39.000 0.080 0.000 1.016 147 F HN -0.032 nan 8.300 nan 0.000 0.556 148 S N 5.690 121.273 115.700 -0.196 0.000 2.587 148 S HA 0.528 5.002 4.470 0.006 0.000 0.269 148 S C -1.323 173.168 174.600 -0.183 0.000 1.154 148 S CA -1.332 56.819 58.200 -0.082 0.000 0.824 148 S CB 1.005 64.231 63.200 0.043 0.000 1.118 148 S HN 0.656 nan 8.310 nan 0.000 0.462 149 L N 1.940 123.090 121.223 -0.122 0.000 2.281 149 L HA 0.452 4.795 4.340 0.006 0.000 0.285 149 L C -2.145 174.725 176.870 -0.001 0.000 1.074 149 L CA -1.767 53.019 54.840 -0.089 0.000 0.817 149 L CB 0.412 42.367 42.059 -0.174 0.000 1.168 149 L HN 0.519 nan 8.230 nan 0.000 0.434 150 P HA 0.032 nan 4.420 nan 0.000 0.275 150 P C 0.552 177.807 177.300 -0.075 0.000 1.270 150 P CA -0.463 62.599 63.100 -0.064 0.000 0.791 150 P CB 0.703 32.256 31.700 -0.245 0.000 1.089 151 E N -0.298 119.837 120.200 -0.108 0.000 2.204 151 E HA -0.231 4.123 4.350 0.006 0.000 0.195 151 E C 1.410 177.964 176.600 -0.075 0.000 0.990 151 E CA 0.991 57.342 56.400 -0.082 0.000 0.821 151 E CB -0.059 29.593 29.700 -0.080 0.000 0.750 151 E HN 0.366 nan 8.360 nan 0.000 0.477 152 E N 0.670 120.805 120.200 -0.108 0.000 2.147 152 E HA -0.217 4.137 4.350 0.006 0.000 0.199 152 E C 1.260 177.884 176.600 0.040 0.000 1.005 152 E CA 1.917 58.296 56.400 -0.036 0.000 0.810 152 E CB -0.008 29.668 29.700 -0.040 0.000 0.736 152 E HN 0.377 nan 8.360 nan 0.000 0.460 153 D N -1.746 118.682 120.400 0.046 0.000 2.197 153 D HA -0.060 4.584 4.640 0.006 0.000 0.212 153 D C 1.924 178.129 176.300 -0.158 0.000 0.963 153 D CA 1.685 55.691 54.000 0.009 0.000 0.864 153 D CB -0.221 40.603 40.800 0.039 0.000 1.009 153 D HN 0.252 nan 8.370 nan 0.000 0.479 154 T N -1.510 112.943 114.554 -0.167 0.000 2.985 154 T HA 0.037 4.390 4.350 0.006 0.000 0.266 154 T C 1.616 176.267 174.700 -0.082 0.000 1.076 154 T CA 0.645 62.632 62.100 -0.189 0.000 1.135 154 T CB 0.108 68.922 68.868 -0.091 0.000 0.890 154 T HN -0.069 nan 8.240 nan 0.000 0.480 155 K N 0.060 120.429 120.400 -0.053 0.000 2.365 155 K HA 0.405 4.729 4.320 0.006 0.000 0.195 155 K C 1.868 178.460 176.600 -0.014 0.000 1.079 155 K CA 0.149 56.422 56.287 -0.024 0.000 0.979 155 K CB 0.322 32.809 32.500 -0.021 0.000 0.929 155 K HN 0.358 nan 8.250 nan 0.000 0.523 156 L N 0.213 121.429 121.223 -0.013 0.000 2.471 156 L HA 0.097 4.441 4.340 0.006 0.000 0.186 156 L C 2.189 179.066 176.870 0.013 0.000 1.191 156 L CA 0.375 55.218 54.840 0.005 0.000 0.835 156 L CB -0.408 41.659 42.059 0.014 0.000 1.092 156 L HN -0.114 nan 8.230 nan 0.000 0.495 157 K N 0.641 121.061 120.400 0.033 0.000 2.002 157 K HA -0.092 4.231 4.320 0.006 0.000 0.209 157 K C 2.038 178.646 176.600 0.014 0.000 1.048 157 K CA 1.498 57.824 56.287 0.066 0.000 0.930 157 K CB -0.174 32.425 32.500 0.165 0.000 0.714 157 K HN 0.144 nan 8.250 nan 0.000 0.438 158 I N 0.828 121.353 120.570 -0.075 0.000 2.179 158 I HA -0.207 3.967 4.170 0.006 0.000 0.242 158 I C -1.076 174.964 176.117 -0.128 0.000 1.088 158 I CA 1.108 62.285 61.300 -0.205 0.000 1.357 158 I CB -0.857 36.883 38.000 -0.434 0.000 1.051 158 I HN 0.102 nan 8.210 nan 0.000 0.409 159 P HA -0.179 nan 4.420 nan 0.000 0.215 159 P C 1.916 179.247 177.300 0.052 0.000 1.157 159 P CA 1.576 64.730 63.100 0.090 0.000 0.874 159 P CB 0.000 31.729 31.700 0.048 0.000 0.790 160 L N -1.451 119.777 121.223 0.007 0.000 2.056 160 L HA -0.149 4.195 4.340 0.006 0.000 0.207 160 L C 2.500 179.334 176.870 -0.060 0.000 1.078 160 L CA 1.300 56.136 54.840 -0.006 0.000 0.749 160 L CB -0.846 41.220 42.059 0.012 0.000 0.901 160 L HN -0.089 nan 8.230 nan 0.000 0.433 161 I N -0.773 119.744 120.570 -0.088 0.000 2.208 161 I HA -0.368 3.806 4.170 0.006 0.000 0.245 161 I C 2.454 178.465 176.117 -0.177 0.000 1.097 161 I CA 1.611 62.813 61.300 -0.163 0.000 1.363 161 I CB -0.618 37.296 38.000 -0.144 0.000 1.051 161 I HN 0.320 nan 8.210 nan 0.000 0.413 162 H N 0.471 119.497 119.070 -0.073 0.000 2.289 162 H HA -0.176 4.384 4.556 0.006 0.000 0.296 162 H C 2.559 177.834 175.328 -0.089 0.000 1.091 162 H CA 1.759 57.766 56.048 -0.068 0.000 1.274 162 H CB -0.042 29.697 29.762 -0.039 0.000 1.364 162 H HN 0.195 nan 8.280 nan 0.000 0.490 163 R N 0.280 120.811 120.500 0.053 0.000 2.096 163 R HA -0.098 4.246 4.340 0.006 0.000 0.235 163 R C 2.614 178.864 176.300 -0.083 0.000 1.127 163 R CA 0.889 56.989 56.100 -0.001 0.000 0.968 163 R CB -0.256 30.049 30.300 0.009 0.000 0.861 163 R HN 0.298 nan 8.270 nan 0.000 0.440 164 A N 1.432 124.117 122.820 -0.225 0.000 1.892 164 A HA -0.169 4.154 4.320 0.006 0.000 0.218 164 A C 2.166 179.515 177.584 -0.391 0.000 1.188 164 A CA 1.382 53.081 52.037 -0.563 0.000 0.631 164 A CB -0.625 17.614 19.000 -1.268 0.000 0.822 164 A HN 0.183 nan 8.150 nan 0.000 0.447 165 L N -1.406 119.668 121.223 -0.247 0.000 2.056 165 L HA -0.189 4.155 4.340 0.006 0.000 0.207 165 L C 2.929 179.780 176.870 -0.032 0.000 1.078 165 L CA 1.535 56.309 54.840 -0.111 0.000 0.749 165 L CB -1.233 40.787 42.059 -0.066 0.000 0.901 165 L HN 0.543 nan 8.230 nan 0.000 0.433 166 Q N 0.332 120.123 119.800 -0.015 0.000 2.133 166 Q HA -0.185 4.159 4.340 0.006 0.000 0.208 166 Q C 2.225 178.237 176.000 0.020 0.000 0.991 166 Q CA 1.481 57.288 55.803 0.007 0.000 0.867 166 Q CB -0.310 28.433 28.738 0.008 0.000 0.911 166 Q HN 0.517 nan 8.270 nan 0.000 0.417 167 L N -0.729 120.508 121.223 0.024 0.000 2.270 167 L HA 0.298 4.642 4.340 0.006 0.000 0.210 167 L C 1.350 178.283 176.870 0.105 0.000 1.104 167 L CA 0.785 55.666 54.840 0.069 0.000 0.804 167 L CB -1.182 40.935 42.059 0.097 0.000 0.937 167 L HN 0.343 nan 8.230 nan 0.000 0.450 168 A N 0.488 123.371 122.820 0.105 0.000 2.450 168 A HA 0.164 4.488 4.320 0.006 0.000 0.255 168 A C 1.225 178.870 177.584 0.102 0.000 1.096 168 A CA -0.367 51.761 52.037 0.151 0.000 0.778 168 A CB 0.475 19.573 19.000 0.163 0.000 1.031 168 A HN 0.465 nan 8.150 nan 0.000 0.494 169 Q N 2.486 122.347 119.800 0.102 0.000 2.172 169 Q HA -0.024 4.319 4.340 0.006 0.000 0.200 169 Q C 0.451 176.492 176.000 0.069 0.000 0.964 169 Q CA 0.867 56.715 55.803 0.076 0.000 0.855 169 Q CB -0.138 28.643 28.738 0.071 0.000 0.918 169 Q HN 0.730 nan 8.270 nan 0.000 0.444 170 R N 2.042 122.589 120.500 0.079 0.000 2.528 170 R HA 0.354 4.698 4.340 0.006 0.000 0.271 170 R C -2.300 174.033 176.300 0.056 0.000 1.056 170 R CA -2.200 53.938 56.100 0.063 0.000 1.117 170 R CB -0.029 30.311 30.300 0.066 0.000 1.085 170 R HN 0.118 nan 8.270 nan 0.000 0.530 171 P HA 0.020 nan 4.420 nan 0.000 0.271 171 P C -0.638 176.670 177.300 0.014 0.000 1.220 171 P CA 0.000 63.112 63.100 0.019 0.000 0.768 171 P CB 0.740 32.444 31.700 0.006 0.000 0.848 172 V N 3.394 123.317 119.914 0.015 0.000 2.472 172 V HA 0.229 4.353 4.120 0.006 0.000 0.290 172 V C 0.543 176.623 176.094 -0.023 0.000 1.037 172 V CA -0.218 62.094 62.300 0.021 0.000 0.908 172 V CB 1.538 33.388 31.823 0.046 0.000 0.985 172 V HN 0.527 nan 8.190 nan 0.000 0.454 173 S N 5.736 121.406 115.700 -0.050 0.000 2.442 173 S HA 0.636 5.109 4.470 0.006 0.000 0.297 173 S C -0.397 174.250 174.600 0.079 0.000 1.131 173 S CA -0.543 57.632 58.200 -0.041 0.000 1.092 173 S CB 0.825 63.825 63.200 -0.334 0.000 0.998 173 S HN 0.482 nan 8.310 nan 0.000 0.478 174 L N 3.409 124.676 121.223 0.072 0.000 2.312 174 L HA 0.579 4.922 4.340 0.006 0.000 0.281 174 L C -0.568 176.568 176.870 0.444 0.000 1.070 174 L CA -0.827 54.030 54.840 0.029 0.000 0.805 174 L CB 0.798 42.436 42.059 -0.703 0.000 1.174 174 L HN 0.448 nan 8.230 nan 0.000 0.434 175 L N 3.201 124.744 121.223 0.534 0.000 2.409 175 L HA 0.795 5.139 4.340 0.006 0.000 0.272 175 L C -0.516 176.604 176.870 0.416 0.000 0.980 175 L CA -0.168 54.958 54.840 0.476 0.000 0.826 175 L CB 1.609 43.898 42.059 0.384 0.000 1.268 175 L HN 0.642 nan 8.230 nan 0.000 0.407 176 A N 3.204 126.122 122.820 0.163 0.000 2.324 176 A HA 0.896 5.220 4.320 0.006 0.000 0.330 176 A C -0.592 176.935 177.584 -0.095 0.000 1.165 176 A CA -0.442 51.544 52.037 -0.085 0.000 0.813 176 A CB 1.060 19.701 19.000 -0.599 0.000 1.197 176 A HN 0.705 nan 8.150 nan 0.000 0.484 177 S N 2.999 118.684 115.700 -0.024 0.000 2.614 177 S HA 0.685 5.158 4.470 0.006 0.000 0.288 177 S C -2.975 171.658 174.600 0.054 0.000 1.137 177 S CA -0.897 57.290 58.200 -0.022 0.000 0.992 177 S CB 2.159 65.346 63.200 -0.021 0.000 1.026 177 S HN 0.657 nan 8.310 nan 0.000 0.486 178 P HA 0.268 nan 4.420 nan 0.000 0.286 178 P C 0.053 177.444 177.300 0.152 0.000 1.261 178 P CA -0.624 62.505 63.100 0.047 0.000 0.821 178 P CB 1.201 32.856 31.700 -0.076 0.000 1.013 179 W N 0.710 121.984 121.300 -0.044 0.000 2.780 179 W HA 0.058 4.721 4.660 0.006 0.000 0.272 179 W C 0.732 177.216 176.519 -0.058 0.000 1.116 179 W CA 0.650 57.993 57.345 -0.002 0.000 1.600 179 W CB 0.458 29.947 29.460 0.048 0.000 1.086 179 W HN 0.247 nan 8.180 nan 0.000 0.584 180 T N 0.113 114.717 114.554 0.085 0.000 2.906 180 T HA 0.344 4.697 4.350 0.006 0.000 0.295 180 T C -0.073 174.373 174.700 -0.424 0.000 1.075 180 T CA -0.398 61.598 62.100 -0.173 0.000 1.005 180 T CB 1.548 70.322 68.868 -0.157 0.000 1.136 180 T HN -0.059 nan 8.240 nan 0.000 0.498 181 S N 3.343 118.513 115.700 -0.883 0.000 2.681 181 S HA 0.632 5.106 4.470 0.006 0.000 0.270 181 S C -2.677 171.479 174.600 -0.740 0.000 1.209 181 S CA -1.172 56.237 58.200 -1.317 0.000 0.988 181 S CB 0.171 62.199 63.200 -1.954 0.000 1.006 181 S HN 0.548 nan 8.310 nan 0.000 0.558 182 P HA -0.017 nan 4.420 nan 0.000 0.266 182 P C 1.171 178.081 177.300 -0.649 0.000 1.180 182 P CA 0.505 63.237 63.100 -0.613 0.000 0.765 182 P CB 0.191 31.250 31.700 -1.068 0.000 0.806 183 T N -0.758 113.583 114.554 -0.354 0.000 3.035 183 T HA -0.095 4.259 4.350 0.006 0.000 0.268 183 T C 1.336 175.932 174.700 -0.173 0.000 1.109 183 T CA 0.424 62.381 62.100 -0.237 0.000 1.119 183 T CB -0.687 68.126 68.868 -0.091 0.000 0.900 183 T HN 0.577 nan 8.240 nan 0.000 0.503 184 W N 0.850 122.088 121.300 -0.103 0.000 2.678 184 W HA 0.265 4.928 4.660 0.006 0.000 0.256 184 W C 1.045 177.534 176.519 -0.050 0.000 1.280 184 W CA -0.328 56.975 57.345 -0.070 0.000 1.345 184 W CB -0.806 28.612 29.460 -0.071 0.000 1.118 184 W HN 0.243 nan 8.180 nan 0.000 0.629 185 L N 0.939 121.856 121.223 -0.510 0.000 2.558 185 L HA 0.128 4.472 4.340 0.006 0.000 0.225 185 L C 0.763 177.401 176.870 -0.385 0.000 1.128 185 L CA 0.773 55.390 54.840 -0.372 0.000 0.868 185 L CB -0.320 41.335 42.059 -0.674 0.000 1.006 185 L HN -0.230 nan 8.230 nan 0.000 0.454 186 K N -0.575 119.608 120.400 -0.362 0.000 2.123 186 K HA 0.185 4.509 4.320 0.006 0.000 0.259 186 K C 1.277 177.725 176.600 -0.254 0.000 0.960 186 K CA 0.042 56.119 56.287 -0.349 0.000 0.872 186 K CB 1.732 34.031 32.500 -0.335 0.000 1.079 186 K HN -0.082 nan 8.250 nan 0.000 0.440 187 T N -1.463 112.940 114.554 -0.251 0.000 2.833 187 T HA -0.161 4.192 4.350 0.006 0.000 0.269 187 T C 1.160 175.782 174.700 -0.131 0.000 1.054 187 T CA 1.529 63.515 62.100 -0.189 0.000 1.135 187 T CB -0.211 68.554 68.868 -0.171 0.000 0.869 187 T HN 0.672 nan 8.240 nan 0.000 0.466 188 N N 1.162 119.786 118.700 -0.127 0.000 2.236 188 N HA 0.183 4.926 4.740 0.006 0.000 0.196 188 N C 1.448 176.917 175.510 -0.068 0.000 1.114 188 N CA 0.540 53.538 53.050 -0.086 0.000 0.859 188 N CB -0.500 37.938 38.487 -0.080 0.000 0.982 188 N HN 0.648 nan 8.380 nan 0.000 0.493 189 G N -0.141 108.610 108.800 -0.081 0.000 2.305 189 G HA2 -0.031 3.932 3.960 0.006 0.000 0.287 189 G HA3 -0.031 3.932 3.960 0.006 0.000 0.287 189 G C -0.021 174.853 174.900 -0.043 0.000 1.036 189 G CA 0.505 45.576 45.100 -0.049 0.000 0.887 189 G HN 0.909 nan 8.290 nan 0.000 0.505 190 A N -1.650 121.129 122.820 -0.069 0.000 2.549 190 A HA 0.848 5.172 4.320 0.006 0.000 0.297 190 A C 1.106 178.651 177.584 -0.064 0.000 1.061 190 A CA 0.256 52.267 52.037 -0.044 0.000 0.690 190 A CB 1.089 20.078 19.000 -0.019 0.000 1.287 190 A HN 1.479 nan 8.150 nan 0.000 0.402 191 V N -0.389 119.499 119.914 -0.043 0.000 2.515 191 V HA -0.029 4.095 4.120 0.006 0.000 0.250 191 V C 0.851 176.954 176.094 0.016 0.000 1.058 191 V CA 2.002 64.268 62.300 -0.056 0.000 1.064 191 V CB -1.602 30.174 31.823 -0.079 0.000 0.675 191 V HN 0.942 nan 8.190 nan 0.000 0.461 192 N N 0.513 119.257 118.700 0.073 0.000 3.124 192 N HA 0.621 5.365 4.740 0.006 0.000 0.350 192 N C 0.549 176.091 175.510 0.054 0.000 1.411 192 N CA 0.165 53.287 53.050 0.120 0.000 0.729 192 N CB 0.117 38.719 38.487 0.192 0.000 1.379 192 N HN 0.896 nan 8.380 nan 0.000 0.599 193 G N -0.499 108.341 108.800 0.067 0.000 2.880 193 G HA2 -0.235 3.729 3.960 0.006 0.000 0.617 193 G HA3 -0.235 3.729 3.960 0.006 0.000 0.617 193 G C -0.657 174.236 174.900 -0.011 0.000 1.493 193 G CA 0.001 45.116 45.100 0.026 0.000 0.916 193 G HN 0.912 nan 8.290 nan 0.000 0.553 194 K N 0.491 120.872 120.400 -0.031 0.000 2.416 194 K HA 0.531 4.854 4.320 0.006 0.000 0.283 194 K C 0.620 177.165 176.600 -0.091 0.000 1.037 194 K CA 0.618 56.864 56.287 -0.068 0.000 0.995 194 K CB -0.103 32.363 32.500 -0.056 0.000 0.938 194 K HN 2.057 nan 8.250 nan 0.000 0.475 195 G N 1.878 110.600 108.800 -0.130 0.000 2.402 195 G HA2 0.228 4.192 3.960 0.006 0.000 0.301 195 G HA3 0.228 4.192 3.960 0.006 0.000 0.301 195 G C -1.290 173.465 174.900 -0.241 0.000 1.615 195 G CA -0.374 44.628 45.100 -0.163 0.000 0.889 195 G HN 0.715 nan 8.290 nan 0.000 0.647 196 S N -0.111 115.422 115.700 -0.280 0.000 2.837 196 S HA 0.836 5.310 4.470 0.006 0.000 0.314 196 S C 0.066 174.381 174.600 -0.475 0.000 1.098 196 S CA -0.990 56.951 58.200 -0.432 0.000 0.903 196 S CB 0.926 63.920 63.200 -0.344 0.000 1.310 196 S HN 0.779 nan 8.310 nan 0.000 0.581 197 L N 1.598 122.457 121.223 -0.607 0.000 2.439 197 L HA 0.310 4.653 4.340 0.006 0.000 0.269 197 L C 0.625 177.310 176.870 -0.308 0.000 1.179 197 L CA -0.410 54.091 54.840 -0.565 0.000 0.828 197 L CB 0.372 41.898 42.059 -0.888 0.000 1.106 197 L HN 0.645 nan 8.230 nan 0.000 0.467 198 K N 1.654 121.818 120.400 -0.394 0.000 2.286 198 K HA 0.260 4.584 4.320 0.006 0.000 0.256 198 K C 0.896 177.424 176.600 -0.121 0.000 0.999 198 K CA 0.340 56.340 56.287 -0.478 0.000 0.908 198 K CB 0.106 31.863 32.500 -1.238 0.000 0.981 198 K HN 0.810 nan 8.250 nan 0.000 0.500 199 G N 0.818 109.575 108.800 -0.071 0.000 2.602 199 G HA2 -0.323 3.641 3.960 0.006 0.000 0.306 199 G HA3 -0.323 3.641 3.960 0.006 0.000 0.306 199 G C -0.702 174.268 174.900 0.118 0.000 1.301 199 G CA 0.948 46.114 45.100 0.110 0.000 0.974 199 G HN 0.639 nan 8.290 nan 0.000 0.547 200 Q N -1.450 118.367 119.800 0.029 0.000 2.648 200 Q HA 0.679 5.023 4.340 0.006 0.000 0.300 200 Q C -3.086 172.517 176.000 -0.662 0.000 0.954 200 Q CA -1.762 53.843 55.803 -0.330 0.000 0.757 200 Q CB 0.039 28.613 28.738 -0.272 0.000 1.482 200 Q HN 0.505 nan 8.270 nan 0.000 0.437 201 P HA 0.113 nan 4.420 nan 0.000 0.264 201 P C 0.616 177.822 177.300 -0.157 0.000 1.179 201 P CA 2.115 64.933 63.100 -0.470 0.000 0.763 201 P CB 0.253 31.876 31.700 -0.128 0.000 0.806 202 G N 1.490 110.294 108.800 0.007 0.000 2.284 202 G HA2 -0.216 3.748 3.960 0.006 0.000 0.230 202 G HA3 -0.216 3.748 3.960 0.006 0.000 0.230 202 G C 0.218 175.167 174.900 0.082 0.000 1.021 202 G CA 0.381 45.504 45.100 0.038 0.000 0.619 202 G HN 0.727 nan 8.290 nan 0.000 0.510 203 D N 0.284 120.754 120.400 0.116 0.000 2.414 203 D HA 0.421 5.064 4.640 0.006 0.000 0.259 203 D C 1.791 178.196 176.300 0.174 0.000 1.269 203 D CA -0.272 53.815 54.000 0.144 0.000 1.028 203 D CB 0.193 41.107 40.800 0.190 0.000 1.093 203 D HN 0.265 nan 8.370 nan 0.000 0.545 204 I N -0.835 119.746 120.570 0.018 0.000 2.394 204 I HA -0.251 3.922 4.170 0.006 0.000 0.251 204 I C 1.562 177.734 176.117 0.092 0.000 1.136 204 I CA 0.896 62.149 61.300 -0.079 0.000 1.425 204 I CB -0.066 37.670 38.000 -0.440 0.000 1.079 204 I HN 0.331 nan 8.210 nan 0.000 0.425 205 Y N -0.033 120.475 120.300 0.346 0.000 2.145 205 Y HA -0.299 4.255 4.550 0.006 0.000 0.286 205 Y C 2.568 178.632 175.900 0.274 0.000 1.145 205 Y CA 1.971 60.280 58.100 0.349 0.000 1.148 205 Y CB -0.678 37.917 38.460 0.225 0.000 0.981 205 Y HN 0.230 nan 8.280 nan 0.000 0.507 206 H N -0.780 118.554 119.070 0.439 0.000 2.326 206 H HA -0.136 4.424 4.556 0.006 0.000 0.301 206 H C 2.164 177.798 175.328 0.510 0.000 1.081 206 H CA 1.520 57.871 56.048 0.505 0.000 1.334 206 H CB -0.193 29.859 29.762 0.484 0.000 1.385 206 H HN 0.205 nan 8.280 nan 0.000 0.504 207 Q N 0.040 120.109 119.800 0.447 0.000 2.096 207 Q HA -0.132 4.212 4.340 0.006 0.000 0.204 207 Q C 2.225 178.423 176.000 0.329 0.000 0.982 207 Q CA 1.866 57.850 55.803 0.302 0.000 0.850 207 Q CB -0.530 28.325 28.738 0.194 0.000 0.901 207 Q HN 0.513 nan 8.270 nan 0.000 0.422 208 T N 0.507 115.299 114.554 0.397 0.000 2.674 208 T HA -0.173 4.181 4.350 0.006 0.000 0.265 208 T C 1.273 176.276 174.700 0.504 0.000 1.039 208 T CA 1.077 63.441 62.100 0.439 0.000 1.150 208 T CB -0.508 68.681 68.868 0.535 0.000 0.864 208 T HN 0.509 nan 8.240 nan 0.000 0.427 209 W N 1.787 123.254 121.300 0.279 0.000 2.335 209 W HA -0.192 4.472 4.660 0.006 0.000 0.311 209 W C 2.624 179.473 176.519 0.550 0.000 1.213 209 W CA 1.008 58.529 57.345 0.293 0.000 1.274 209 W CB -0.288 29.244 29.460 0.119 0.000 1.148 209 W HN 0.312 nan 8.180 nan 0.000 0.498 210 A N 0.817 123.926 122.820 0.481 0.000 1.883 210 A HA -0.279 4.045 4.320 0.006 0.000 0.217 210 A C 1.965 179.645 177.584 0.161 0.000 1.186 210 A CA 2.071 54.214 52.037 0.177 0.000 0.624 210 A CB -1.142 17.875 19.000 0.028 0.000 0.822 210 A HN 0.409 nan 8.150 nan 0.000 0.444 211 R N -2.256 118.363 120.500 0.199 0.000 2.152 211 R HA -0.152 4.191 4.340 0.006 0.000 0.232 211 R C 1.935 178.307 176.300 0.119 0.000 1.117 211 R CA 1.443 57.625 56.100 0.136 0.000 0.981 211 R CB -0.405 29.977 30.300 0.137 0.000 0.870 211 R HN 0.703 nan 8.270 nan 0.000 0.451 212 Y N -0.037 120.292 120.300 0.048 0.000 2.145 212 Y HA -0.261 4.293 4.550 0.006 0.000 0.286 212 Y C 1.514 177.355 175.900 -0.098 0.000 1.145 212 Y CA 1.840 59.931 58.100 -0.015 0.000 1.148 212 Y CB -0.286 38.169 38.460 -0.008 0.000 0.981 212 Y HN -0.029 nan 8.280 nan 0.000 0.507 213 F N -0.615 119.295 119.950 -0.066 0.000 2.091 213 F HA -0.321 4.209 4.527 0.006 0.000 0.299 213 F C 2.409 178.172 175.800 -0.061 0.000 1.103 213 F CA 1.899 59.841 58.000 -0.096 0.000 1.228 213 F CB -1.217 37.660 39.000 -0.206 0.000 0.984 213 F HN -0.104 nan 8.300 nan 0.000 0.477 214 V N 0.029 120.009 119.914 0.111 0.000 2.287 214 V HA -0.295 3.829 4.120 0.006 0.000 0.248 214 V C 2.455 178.501 176.094 -0.081 0.000 1.053 214 V CA 1.743 64.072 62.300 0.049 0.000 1.027 214 V CB -0.576 31.289 31.823 0.070 0.000 0.646 214 V HN 0.225 nan 8.190 nan 0.000 0.447 215 K N -0.349 119.880 120.400 -0.285 0.000 2.063 215 K HA -0.191 4.132 4.320 0.006 0.000 0.208 215 K C 2.045 178.327 176.600 -0.531 0.000 1.048 215 K CA 1.721 57.630 56.287 -0.630 0.000 0.928 215 K CB -0.860 30.777 32.500 -1.438 0.000 0.713 215 K HN 0.525 nan 8.250 nan 0.000 0.442 216 F N 1.792 121.470 119.950 -0.452 0.000 2.095 216 F HA -0.181 4.350 4.527 0.006 0.000 0.298 216 F C 2.046 177.765 175.800 -0.136 0.000 1.104 216 F CA 1.271 59.193 58.000 -0.131 0.000 1.232 216 F CB -0.416 38.498 39.000 -0.144 0.000 0.987 216 F HN -0.113 nan 8.300 nan 0.000 0.475 217 L N 0.108 121.139 121.223 -0.319 0.000 2.056 217 L HA -0.223 4.121 4.340 0.006 0.000 0.207 217 L C 2.267 178.913 176.870 -0.372 0.000 1.078 217 L CA 1.512 56.035 54.840 -0.529 0.000 0.749 217 L CB -0.820 40.790 42.059 -0.748 0.000 0.901 217 L HN 0.093 nan 8.230 nan 0.000 0.433 218 D N 0.055 120.378 120.400 -0.129 0.000 2.149 218 D HA -0.209 4.435 4.640 0.006 0.000 0.198 218 D C 2.161 178.471 176.300 0.017 0.000 0.990 218 D CA 1.607 55.655 54.000 0.080 0.000 0.839 218 D CB -0.030 40.798 40.800 0.047 0.000 0.948 218 D HN 0.382 nan 8.370 nan 0.000 0.460 219 A N -0.213 122.584 122.820 -0.039 0.000 1.929 219 A HA -0.153 4.171 4.320 0.006 0.000 0.216 219 A C 1.893 179.512 177.584 0.057 0.000 1.176 219 A CA 0.826 52.879 52.037 0.027 0.000 0.628 219 A CB -0.744 18.286 19.000 0.050 0.000 0.816 219 A HN 0.205 nan 8.150 nan 0.000 0.444 220 Y N -0.332 119.848 120.300 -0.200 0.000 2.516 220 Y HA 0.134 4.688 4.550 0.006 0.000 0.291 220 Y C 2.649 178.564 175.900 0.025 0.000 1.131 220 Y CA 0.312 58.352 58.100 -0.100 0.000 1.281 220 Y CB -0.172 38.194 38.460 -0.158 0.000 1.013 220 Y HN 0.344 nan 8.280 nan 0.000 0.554 221 A N 0.011 122.915 122.820 0.140 0.000 1.929 221 A HA -0.154 4.169 4.320 0.006 0.000 0.216 221 A C 2.003 179.635 177.584 0.080 0.000 1.176 221 A CA 1.505 53.621 52.037 0.131 0.000 0.628 221 A CB -0.433 18.679 19.000 0.186 0.000 0.816 221 A HN 0.466 nan 8.150 nan 0.000 0.444 222 E N -0.395 119.829 120.200 0.040 0.000 2.160 222 E HA -0.169 4.184 4.350 0.006 0.000 0.195 222 E C 0.662 177.156 176.600 -0.176 0.000 0.991 222 E CA 1.064 57.419 56.400 -0.075 0.000 0.810 222 E CB -0.248 29.374 29.700 -0.131 0.000 0.742 222 E HN 0.724 nan 8.360 nan 0.000 0.466 223 H N 0.693 119.744 119.070 -0.031 0.000 2.660 223 H HA 0.170 4.729 4.556 0.006 0.000 0.310 223 H C -0.243 175.154 175.328 0.116 0.000 1.080 223 H CA 0.040 56.095 56.048 0.012 0.000 1.145 223 H CB -0.051 29.650 29.762 -0.101 0.000 1.432 223 H HN 0.052 nan 8.280 nan 0.000 0.542 224 K N 0.959 121.449 120.400 0.150 0.000 3.156 224 K HA -0.182 4.141 4.320 0.006 0.000 0.266 224 K C -0.699 175.998 176.600 0.162 0.000 0.966 224 K CA 0.353 56.728 56.287 0.146 0.000 0.719 224 K CB -1.353 31.222 32.500 0.125 0.000 1.333 224 K HN 0.372 nan 8.250 nan 0.000 0.468 225 L N 0.708 121.998 121.223 0.112 0.000 2.385 225 L HA 0.342 4.686 4.340 0.006 0.000 0.273 225 L C -0.057 176.830 176.870 0.028 0.000 0.990 225 L CA -1.022 53.834 54.840 0.028 0.000 0.821 225 L CB 1.952 44.010 42.059 -0.001 0.000 1.279 225 L HN 0.020 nan 8.230 nan 0.000 0.412 226 Q N 1.325 121.098 119.800 -0.044 0.000 2.235 226 Q HA 0.593 4.936 4.340 0.006 0.000 0.256 226 Q C -1.395 174.534 176.000 -0.117 0.000 0.951 226 Q CA -0.201 55.609 55.803 0.013 0.000 0.890 226 Q CB 1.810 30.572 28.738 0.039 0.000 1.279 226 Q HN 0.282 nan 8.270 nan 0.000 0.444 227 F N 0.995 120.960 119.950 0.025 0.000 2.425 227 F HA 0.250 4.781 4.527 0.007 0.000 0.331 227 F C 0.458 176.322 175.800 0.106 0.000 1.085 227 F CA -0.535 57.500 58.000 0.059 0.000 1.028 227 F CB 0.959 39.969 39.000 0.017 0.000 1.177 227 F HN 0.773 nan 8.300 nan 0.000 0.487 228 W N 2.968 124.336 121.300 0.113 0.000 2.523 228 W HA 0.549 5.213 4.660 0.006 0.000 0.278 228 W C -0.404 176.142 176.519 0.044 0.000 1.236 228 W CA 0.779 58.149 57.345 0.042 0.000 1.306 228 W CB 0.099 29.560 29.460 0.001 0.000 1.101 228 W HN 0.454 nan 8.180 nan 0.000 0.577 229 A N 0.580 123.179 122.820 -0.369 0.000 2.605 229 A HA 0.550 4.874 4.320 0.006 0.000 0.294 229 A C -1.254 176.153 177.584 -0.296 0.000 1.062 229 A CA -0.224 51.381 52.037 -0.720 0.000 0.682 229 A CB 0.630 18.581 19.000 -1.749 0.000 1.278 229 A HN 0.585 nan 8.150 nan 0.000 0.410 230 V N -1.073 118.681 119.914 -0.267 0.000 2.960 230 V HA 0.969 5.092 4.120 0.006 0.000 0.315 230 V C -0.053 175.949 176.094 -0.153 0.000 1.087 230 V CA -0.070 62.142 62.300 -0.146 0.000 0.982 230 V CB 1.613 33.423 31.823 -0.021 0.000 1.039 230 V HN 1.593 nan 8.190 nan 0.000 0.437 231 T N 0.000 114.505 114.554 -0.081 0.000 2.794 231 T HA 0.677 5.031 4.350 0.006 0.000 0.280 231 T C 1.160 175.847 174.700 -0.022 0.000 0.987 231 T CA 0.031 62.074 62.100 -0.096 0.000 0.993 231 T CB 1.426 70.221 68.868 -0.122 0.000 0.939 231 T HN 1.673 nan 8.240 nan 0.000 0.449 232 A N 1.689 124.447 122.820 -0.102 0.000 2.159 232 A HA 0.064 4.387 4.320 0.006 0.000 0.222 232 A C 0.897 178.455 177.584 -0.044 0.000 1.163 232 A CA 1.831 53.803 52.037 -0.109 0.000 0.664 232 A CB -0.914 17.988 19.000 -0.164 0.000 0.803 232 A HN 1.179 nan 8.150 nan 0.000 0.470 233 E N -2.303 117.835 120.200 -0.104 0.000 3.566 233 E HA 0.089 4.443 4.350 0.006 0.000 0.329 233 E C -1.058 175.352 176.600 -0.316 0.000 1.136 233 E CA 0.121 56.420 56.400 -0.167 0.000 0.896 233 E CB -0.706 28.798 29.700 -0.327 0.000 1.144 233 E HN 0.356 nan 8.360 nan 0.000 0.514 234 N N 3.222 121.653 118.700 -0.449 0.000 2.497 234 N HA 0.245 4.989 4.740 0.006 0.000 0.271 234 N C -0.701 174.439 175.510 -0.617 0.000 1.142 234 N CA 0.362 52.995 53.050 -0.695 0.000 0.965 234 N CB 0.581 38.211 38.487 -1.427 0.000 1.077 234 N HN 0.636 nan 8.380 nan 0.000 0.462 235 E N 1.481 121.320 120.200 -0.600 0.000 2.202 235 E HA -0.191 4.162 4.350 0.006 0.000 0.169 235 E C -1.665 174.693 176.600 -0.404 0.000 1.536 235 E CA 0.009 56.101 56.400 -0.513 0.000 0.664 235 E CB -0.192 29.287 29.700 -0.368 0.000 1.064 235 E HN 0.673 nan 8.360 nan 0.000 0.327 236 P HA -0.264 nan 4.420 nan 0.000 0.218 236 P C 1.392 178.622 177.300 -0.117 0.000 1.148 236 P CA 1.868 64.884 63.100 -0.141 0.000 0.822 236 P CB 0.042 31.715 31.700 -0.045 0.000 0.784 237 S N -0.249 115.309 115.700 -0.236 0.000 2.447 237 S HA -0.030 4.443 4.470 0.006 0.000 0.233 237 S C 2.121 176.575 174.600 -0.242 0.000 1.006 237 S CA 0.955 59.068 58.200 -0.145 0.000 0.957 237 S CB -1.134 61.953 63.200 -0.188 0.000 0.773 237 S HN 0.142 nan 8.310 nan 0.000 0.507 238 A N 1.579 124.155 122.820 -0.406 0.000 1.968 238 A HA 0.333 4.656 4.320 0.006 0.000 0.217 238 A C 2.269 179.426 177.584 -0.712 0.000 1.169 238 A CA 1.071 52.652 52.037 -0.759 0.000 0.638 238 A CB -1.458 16.856 19.000 -1.143 0.000 0.812 238 A HN 0.665 nan 8.150 nan 0.000 0.446 239 G N -0.560 107.991 108.800 -0.415 0.000 2.776 239 G HA2 0.127 4.091 3.960 0.006 0.000 0.209 239 G HA3 0.127 4.091 3.960 0.006 0.000 0.209 239 G C 1.115 175.902 174.900 -0.187 0.000 1.145 239 G CA 0.602 45.543 45.100 -0.265 0.000 0.791 239 G HN 0.460 nan 8.290 nan 0.000 0.530 240 L N -0.118 121.004 121.223 -0.170 0.000 2.607 240 L HA 0.375 4.719 4.340 0.006 0.000 0.228 240 L C 0.394 177.210 176.870 -0.091 0.000 1.123 240 L CA -0.107 54.673 54.840 -0.101 0.000 0.890 240 L CB 0.024 42.054 42.059 -0.048 0.000 1.103 240 L HN 0.042 nan 8.230 nan 0.000 0.468 241 L N -0.136 121.016 121.223 -0.119 0.000 2.295 241 L HA 0.331 4.675 4.340 0.006 0.000 0.285 241 L C 0.284 177.140 176.870 -0.023 0.000 1.035 241 L CA -0.322 54.479 54.840 -0.065 0.000 0.806 241 L CB 1.582 43.604 42.059 -0.061 0.000 1.214 241 L HN -0.055 nan 8.230 nan 0.000 0.426 242 S N 1.827 117.515 115.700 -0.019 0.000 2.525 242 S HA 0.264 4.737 4.470 0.006 0.000 0.285 242 S C 1.015 175.613 174.600 -0.004 0.000 1.283 242 S CA 0.578 58.769 58.200 -0.015 0.000 1.072 242 S CB 0.682 63.870 63.200 -0.021 0.000 0.867 242 S HN 1.048 nan 8.310 nan 0.000 0.492 243 G N 2.497 111.295 108.800 -0.002 0.000 2.160 243 G HA2 -0.298 3.666 3.960 0.006 0.000 0.251 243 G HA3 -0.298 3.666 3.960 0.006 0.000 0.251 243 G C -0.100 174.784 174.900 -0.026 0.000 1.008 243 G CA -0.075 45.016 45.100 -0.017 0.000 0.724 243 G HN 0.764 nan 8.290 nan 0.000 0.514 244 Y N 1.400 121.613 120.300 -0.144 0.000 2.717 244 Y HA 0.312 4.866 4.550 0.006 0.000 0.330 244 Y C -0.302 175.452 175.900 -0.244 0.000 1.217 244 Y CA -0.420 57.542 58.100 -0.230 0.000 1.506 244 Y CB 1.067 39.384 38.460 -0.238 0.000 1.268 244 Y HN 0.099 nan 8.280 nan 0.000 0.561 245 P HA -0.013 nan 4.420 nan 0.000 0.230 245 P C -0.682 176.482 177.300 -0.228 0.000 1.168 245 P CA 0.834 63.661 63.100 -0.454 0.000 0.793 245 P CB 0.121 31.546 31.700 -0.458 0.000 0.851 246 F N -1.626 118.234 119.950 -0.150 0.000 2.585 246 F HA 0.678 5.209 4.527 0.006 0.000 0.350 246 F C 0.245 176.293 175.800 0.412 0.000 1.074 246 F CA -2.095 56.052 58.000 0.244 0.000 1.032 246 F CB -0.604 38.541 39.000 0.242 0.000 1.330 246 F HN -0.458 nan 8.300 nan 0.000 0.495 247 Q N 0.997 121.195 119.800 0.663 0.000 2.339 247 Q HA 0.330 4.674 4.340 0.006 0.000 0.308 247 Q C -0.403 175.883 176.000 0.477 0.000 1.097 247 Q CA 0.434 56.486 55.803 0.415 0.000 1.007 247 Q CB 0.014 28.903 28.738 0.252 0.000 1.051 247 Q HN 0.833 nan 8.270 nan 0.000 0.381 248 C N 0.637 120.069 119.300 0.219 0.000 3.306 248 C HA 0.856 5.320 4.460 0.006 0.000 0.335 248 C C -1.725 173.224 174.990 -0.069 0.000 1.382 248 C CA -1.291 57.773 59.018 0.075 0.000 1.254 248 C CB 0.890 28.631 27.740 0.001 0.000 1.555 248 C HN 0.761 nan 8.230 nan 0.000 0.463 249 L N 2.104 123.256 121.223 -0.118 0.000 2.620 249 L HA 0.697 5.041 4.340 0.006 0.000 0.261 249 L C 0.245 177.049 176.870 -0.111 0.000 0.978 249 L CA 0.395 55.126 54.840 -0.182 0.000 0.897 249 L CB 1.082 43.030 42.059 -0.184 0.000 1.207 249 L HN 1.393 nan 8.230 nan 0.000 0.425 250 G N 3.446 112.116 108.800 -0.217 0.000 2.343 250 G HA2 0.407 4.371 3.960 0.006 0.000 0.254 250 G HA3 0.407 4.371 3.960 0.006 0.000 0.254 250 G C -1.033 173.701 174.900 -0.276 0.000 1.277 250 G CA 0.107 45.112 45.100 -0.159 0.000 0.909 250 G HN 0.378 nan 8.290 nan 0.000 0.502 251 F N 0.728 120.607 119.950 -0.119 0.000 2.547 251 F HA 0.398 4.929 4.527 0.006 0.000 0.316 251 F C 0.947 176.818 175.800 0.119 0.000 1.121 251 F CA -0.822 57.121 58.000 -0.094 0.000 0.911 251 F CB 2.201 41.157 39.000 -0.074 0.000 1.179 251 F HN 0.617 nan 8.300 nan 0.000 0.443 252 T N 0.155 114.839 114.554 0.216 0.000 2.828 252 T HA 0.279 4.632 4.350 0.006 0.000 0.290 252 T C -2.101 172.440 174.700 -0.265 0.000 1.019 252 T CA -1.695 60.444 62.100 0.065 0.000 1.031 252 T CB 1.372 70.246 68.868 0.009 0.000 1.001 252 T HN 0.247 nan 8.240 nan 0.000 0.531 253 P HA -0.087 nan 4.420 nan 0.000 0.215 253 P C 1.292 178.224 177.300 -0.612 0.000 1.157 253 P CA 1.125 63.324 63.100 -1.502 0.000 0.868 253 P CB 0.011 30.769 31.700 -1.570 0.000 0.788 254 E N -1.772 118.215 120.200 -0.354 0.000 2.085 254 E HA -0.228 4.125 4.350 0.006 0.000 0.194 254 E C 2.084 178.681 176.600 -0.004 0.000 0.994 254 E CA 1.252 57.557 56.400 -0.158 0.000 0.801 254 E CB -1.136 28.494 29.700 -0.116 0.000 0.743 254 E HN 0.489 nan 8.360 nan 0.000 0.453 255 H N 0.009 119.047 119.070 -0.053 0.000 2.267 255 H HA -0.199 4.361 4.556 0.006 0.000 0.297 255 H C 2.326 177.818 175.328 0.273 0.000 1.080 255 H CA 1.729 57.830 56.048 0.089 0.000 1.278 255 H CB 0.154 29.959 29.762 0.072 0.000 1.365 255 H HN 0.167 nan 8.280 nan 0.000 0.489 256 Q N 0.800 120.847 119.800 0.411 0.000 2.077 256 Q HA -0.257 4.087 4.340 0.006 0.000 0.206 256 Q C 2.538 178.644 176.000 0.176 0.000 0.989 256 Q CA 2.098 58.077 55.803 0.294 0.000 0.853 256 Q CB -0.209 28.597 28.738 0.113 0.000 0.907 256 Q HN 0.393 nan 8.270 nan 0.000 0.418 257 R N -0.009 120.505 120.500 0.024 0.000 2.115 257 R HA -0.224 4.119 4.340 0.006 0.000 0.239 257 R C 1.404 177.731 176.300 0.046 0.000 1.133 257 R CA 2.275 58.364 56.100 -0.017 0.000 0.935 257 R CB -0.423 29.828 30.300 -0.081 0.000 0.853 257 R HN 0.445 nan 8.270 nan 0.000 0.433 258 D N -0.420 120.039 120.400 0.098 0.000 2.183 258 D HA -0.136 4.508 4.640 0.006 0.000 0.203 258 D C 1.650 178.050 176.300 0.167 0.000 0.969 258 D CA 0.763 54.816 54.000 0.089 0.000 0.842 258 D CB -0.316 40.514 40.800 0.049 0.000 0.957 258 D HN 0.239 nan 8.370 nan 0.000 0.484 259 F N 1.885 121.950 119.950 0.192 0.000 2.171 259 F HA -0.108 4.423 4.527 0.006 0.000 0.300 259 F C 2.055 177.894 175.800 0.065 0.000 1.090 259 F CA 0.973 59.128 58.000 0.258 0.000 1.293 259 F CB -0.292 39.010 39.000 0.503 0.000 1.013 259 F HN -0.156 nan 8.300 nan 0.000 0.486 260 I N -0.072 120.409 120.570 -0.149 0.000 2.286 260 I HA -0.223 3.950 4.170 0.006 0.000 0.245 260 I C 2.660 178.588 176.117 -0.316 0.000 1.104 260 I CA 1.012 62.104 61.300 -0.347 0.000 1.397 260 I CB -0.986 36.916 38.000 -0.163 0.000 1.072 260 I HN 0.222 nan 8.210 nan 0.000 0.417 261 A N 1.119 123.862 122.820 -0.128 0.000 1.841 261 A HA -0.148 4.176 4.320 0.006 0.000 0.214 261 A C 2.408 179.922 177.584 -0.117 0.000 1.195 261 A CA 1.303 53.312 52.037 -0.046 0.000 0.611 261 A CB -0.387 18.619 19.000 0.009 0.000 0.835 261 A HN 0.236 nan 8.150 nan 0.000 0.443 262 R N -0.425 120.011 120.500 -0.106 0.000 2.093 262 R HA 0.017 4.361 4.340 0.006 0.000 0.224 262 R C 0.853 177.065 176.300 -0.147 0.000 1.101 262 R CA 1.466 57.516 56.100 -0.084 0.000 0.979 262 R CB -0.365 29.919 30.300 -0.027 0.000 0.877 262 R HN 0.618 nan 8.270 nan 0.000 0.441 263 D N -0.282 119.965 120.400 -0.254 0.000 3.234 263 D HA -0.027 4.616 4.640 0.006 0.000 0.281 263 D C 1.851 177.854 176.300 -0.495 0.000 1.405 263 D CA -0.132 53.705 54.000 -0.272 0.000 1.115 263 D CB -0.460 40.303 40.800 -0.062 0.000 1.198 263 D HN -0.082 nan 8.370 nan 0.000 0.388 264 L N 2.131 122.815 121.223 -0.898 0.000 2.046 264 L HA 0.016 4.360 4.340 0.006 0.000 0.208 264 L C 2.163 178.609 176.870 -0.706 0.000 1.077 264 L CA 2.167 56.474 54.840 -0.887 0.000 0.747 264 L CB -1.034 40.285 42.059 -1.233 0.000 0.896 264 L HN 0.122 nan 8.230 nan 0.000 0.432 265 G N -0.386 107.907 108.800 -0.844 0.000 2.552 265 G HA2 -0.231 3.732 3.960 0.006 0.000 0.216 265 G HA3 -0.231 3.732 3.960 0.006 0.000 0.216 265 G C -0.608 173.620 174.900 -1.120 0.000 1.240 265 G CA 0.997 45.315 45.100 -1.303 0.000 0.796 265 G HN 0.359 nan 8.290 nan 0.000 0.568 266 P HA -0.114 nan 4.420 nan 0.000 0.214 266 P C 2.355 179.531 177.300 -0.205 0.000 1.163 266 P CA 2.695 65.584 63.100 -0.352 0.000 0.889 266 P CB -0.532 31.032 31.700 -0.226 0.000 0.790 267 T N -1.841 112.579 114.554 -0.223 0.000 2.746 267 T HA -0.137 4.217 4.350 0.006 0.000 0.267 267 T C 1.917 176.564 174.700 -0.088 0.000 1.039 267 T CA 1.056 63.083 62.100 -0.121 0.000 1.142 267 T CB -1.349 67.457 68.868 -0.103 0.000 0.866 267 T HN -0.003 nan 8.240 nan 0.000 0.444 268 L N 1.108 122.245 121.223 -0.143 0.000 1.970 268 L HA -0.083 4.261 4.340 0.006 0.000 0.212 268 L C 3.318 180.203 176.870 0.024 0.000 1.071 268 L CA 1.470 56.271 54.840 -0.065 0.000 0.751 268 L CB -0.903 41.076 42.059 -0.133 0.000 0.889 268 L HN 0.370 nan 8.230 nan 0.000 0.432 269 A N 0.124 122.956 122.820 0.020 0.000 1.884 269 A HA -0.314 4.010 4.320 0.006 0.000 0.219 269 A C 1.967 179.595 177.584 0.074 0.000 1.197 269 A CA 2.385 54.485 52.037 0.105 0.000 0.637 269 A CB -0.894 18.208 19.000 0.170 0.000 0.827 269 A HN 0.500 nan 8.150 nan 0.000 0.450 270 N N -0.022 118.695 118.700 0.027 0.000 2.609 270 N HA -0.047 4.696 4.740 0.006 0.000 0.190 270 N C 0.550 176.077 175.510 0.029 0.000 1.157 270 N CA 0.903 53.962 53.050 0.015 0.000 0.918 270 N CB -0.401 38.084 38.487 -0.003 0.000 0.978 270 N HN 0.642 nan 8.380 nan 0.000 0.448 271 S N -2.535 113.200 115.700 0.058 0.000 2.766 271 S HA 0.258 4.731 4.470 0.006 0.000 0.307 271 S C 1.269 175.886 174.600 0.029 0.000 1.121 271 S CA -0.087 58.130 58.200 0.029 0.000 0.980 271 S CB 0.886 64.109 63.200 0.039 0.000 1.159 271 S HN 0.176 nan 8.310 nan 0.000 0.546 272 T N -1.578 112.877 114.554 -0.166 0.000 3.118 272 T HA 0.060 4.414 4.350 0.006 0.000 0.260 272 T C 0.443 174.885 174.700 -0.430 0.000 1.139 272 T CA 0.562 62.506 62.100 -0.261 0.000 1.085 272 T CB -0.677 67.984 68.868 -0.346 0.000 0.934 272 T HN 0.723 nan 8.240 nan 0.000 0.518 273 H N 0.916 119.933 119.070 -0.088 0.000 2.503 273 H HA 0.206 4.765 4.556 0.006 0.000 0.296 273 H C 1.295 176.530 175.328 -0.155 0.000 1.097 273 H CA 0.262 56.230 56.048 -0.134 0.000 1.055 273 H CB -0.368 29.369 29.762 -0.043 0.000 1.580 273 H HN 0.798 nan 8.280 nan 0.000 0.546 274 H N -0.876 118.225 119.070 0.052 0.000 2.489 274 H HA -0.028 4.531 4.556 0.006 0.000 0.293 274 H C 1.403 176.741 175.328 0.017 0.000 1.066 274 H CA 0.850 56.914 56.048 0.026 0.000 1.305 274 H CB 0.055 29.823 29.762 0.010 0.000 1.386 274 H HN 0.080 nan 8.280 nan 0.000 0.551 275 N N 0.946 119.508 118.700 -0.230 0.000 2.396 275 N HA -0.033 4.710 4.740 0.006 0.000 0.180 275 N C -0.011 175.466 175.510 -0.055 0.000 1.028 275 N CA 0.446 53.458 53.050 -0.064 0.000 0.893 275 N CB 0.134 38.552 38.487 -0.115 0.000 0.967 275 N HN 0.184 nan 8.380 nan 0.000 0.440 276 V N 3.436 123.320 119.914 -0.050 0.000 2.694 276 V HA -0.070 4.054 4.120 0.006 0.000 0.306 276 V C 0.780 176.774 176.094 -0.166 0.000 1.054 276 V CA 0.158 62.411 62.300 -0.079 0.000 1.161 276 V CB 0.369 32.176 31.823 -0.027 0.000 0.916 276 V HN 0.143 nan 8.190 nan 0.000 0.490 277 R N 3.770 124.070 120.500 -0.333 0.000 2.410 277 R HA 0.473 4.817 4.340 0.006 0.000 0.288 277 R C -0.557 175.559 176.300 -0.306 0.000 1.051 277 R CA -0.889 54.996 56.100 -0.358 0.000 1.021 277 R CB 0.976 30.943 30.300 -0.555 0.000 1.032 277 R HN 0.510 nan 8.270 nan 0.000 0.481 278 L N 3.757 124.873 121.223 -0.178 0.000 2.282 278 L HA 0.403 4.746 4.340 0.006 0.000 0.288 278 L C -0.936 175.838 176.870 -0.159 0.000 1.033 278 L CA -0.198 54.532 54.840 -0.183 0.000 0.807 278 L CB 0.837 42.802 42.059 -0.158 0.000 1.209 278 L HN 0.457 nan 8.230 nan 0.000 0.423 279 L N 5.817 126.919 121.223 -0.202 0.000 2.331 279 L HA 0.615 4.959 4.340 0.006 0.000 0.275 279 L C 0.293 177.083 176.870 -0.134 0.000 1.022 279 L CA -0.719 54.022 54.840 -0.165 0.000 0.812 279 L CB 1.616 43.553 42.059 -0.204 0.000 1.257 279 L HN 0.764 nan 8.230 nan 0.000 0.435 280 M N 0.931 120.470 119.600 -0.101 0.000 2.823 280 M HA 0.522 5.005 4.480 0.006 0.000 0.282 280 M C 0.872 177.109 176.300 -0.106 0.000 1.177 280 M CA -0.512 54.740 55.300 -0.079 0.000 0.871 280 M CB 1.568 34.152 32.600 -0.028 0.000 1.595 280 M HN 0.596 nan 8.290 nan 0.000 0.524 281 L N -0.414 120.740 121.223 -0.114 0.000 3.683 281 L HA -0.394 3.950 4.340 0.006 0.000 0.053 281 L C 0.218 176.811 176.870 -0.462 0.000 4.276 281 L CA 2.401 57.011 54.840 -0.383 0.000 0.727 281 L CB -1.364 40.513 42.059 -0.304 0.000 3.467 281 L HN 1.185 nan 8.230 nan 0.000 0.839 282 D N 0.850 121.048 120.400 -0.337 0.000 2.697 282 D HA -0.137 4.507 4.640 0.006 0.000 0.238 282 D C -0.479 175.359 176.300 -0.769 0.000 1.152 282 D CA 1.593 55.378 54.000 -0.358 0.000 0.666 282 D CB -0.475 40.157 40.800 -0.279 0.000 1.037 282 D HN 0.563 nan 8.370 nan 0.000 0.423 283 D N -0.832 119.125 120.400 -0.738 0.000 2.752 283 D HA 0.285 4.929 4.640 0.006 0.000 0.313 283 D C -0.438 175.608 176.300 -0.424 0.000 1.225 283 D CA -0.468 53.056 54.000 -0.793 0.000 0.976 283 D CB 0.755 41.109 40.800 -0.742 0.000 1.443 283 D HN -0.071 nan 8.370 nan 0.000 0.515 284 Q N 0.589 120.252 119.800 -0.229 0.000 2.348 284 Q HA -0.036 4.308 4.340 0.006 0.000 0.331 284 Q C 1.057 177.038 176.000 -0.031 0.000 1.099 284 Q CA 0.709 56.541 55.803 0.048 0.000 1.021 284 Q CB 0.416 29.190 28.738 0.060 0.000 1.166 284 Q HN 0.437 nan 8.270 nan 0.000 0.393 285 R N 1.997 122.508 120.500 0.018 0.000 2.189 285 R HA -0.083 4.260 4.340 0.006 0.000 0.218 285 R C 1.887 178.113 176.300 -0.123 0.000 1.074 285 R CA 1.348 57.380 56.100 -0.114 0.000 0.991 285 R CB -1.105 29.063 30.300 -0.221 0.000 0.883 285 R HN 0.472 nan 8.270 nan 0.000 0.457 286 L N 1.077 122.246 121.223 -0.089 0.000 2.129 286 L HA -0.010 4.334 4.340 0.006 0.000 0.212 286 L C 2.457 179.321 176.870 -0.010 0.000 1.087 286 L CA 2.025 56.834 54.840 -0.052 0.000 0.757 286 L CB -1.470 40.591 42.059 0.004 0.000 0.896 286 L HN 0.380 nan 8.230 nan 0.000 0.434 287 L N -0.814 120.391 121.223 -0.031 0.000 2.633 287 L HA 0.076 4.420 4.340 0.006 0.000 0.235 287 L C 0.886 177.842 176.870 0.144 0.000 1.163 287 L CA -0.067 54.799 54.840 0.042 0.000 0.859 287 L CB -0.503 41.420 42.059 -0.226 0.000 0.973 287 L HN 0.445 nan 8.230 nan 0.000 0.451 288 L N 0.500 121.759 121.223 0.061 0.000 2.360 288 L HA 0.261 4.604 4.340 0.006 0.000 0.271 288 L C -1.205 175.722 176.870 0.094 0.000 1.057 288 L CA -1.582 53.316 54.840 0.096 0.000 0.803 288 L CB 1.040 43.121 42.059 0.037 0.000 1.207 288 L HN -0.199 nan 8.230 nan 0.000 0.445 289 P HA -0.090 nan 4.420 nan 0.000 0.245 289 P C 0.971 178.406 177.300 0.226 0.000 1.206 289 P CA 0.745 63.948 63.100 0.171 0.000 0.781 289 P CB 0.134 31.932 31.700 0.163 0.000 0.994 290 H N -0.121 119.030 119.070 0.134 0.000 2.265 290 H HA -0.179 4.381 4.556 0.006 0.000 0.295 290 H C 1.588 176.987 175.328 0.119 0.000 1.084 290 H CA 2.055 58.172 56.048 0.116 0.000 1.261 290 H CB -1.205 28.620 29.762 0.104 0.000 1.360 290 H HN -0.018 nan 8.280 nan 0.000 0.487 291 W N 0.577 121.757 121.300 -0.200 0.000 2.290 291 W HA -0.278 4.385 4.660 0.006 0.000 0.311 291 W C 2.936 179.320 176.519 -0.225 0.000 1.238 291 W CA 2.802 59.991 57.345 -0.261 0.000 1.255 291 W CB -0.787 28.581 29.460 -0.153 0.000 1.145 291 W HN 0.433 nan 8.180 nan 0.000 0.506 292 A N -0.711 122.138 122.820 0.048 0.000 1.930 292 A HA -0.116 4.208 4.320 0.006 0.000 0.215 292 A C 2.050 179.484 177.584 -0.249 0.000 1.176 292 A CA 1.181 53.127 52.037 -0.152 0.000 0.632 292 A CB -0.458 18.475 19.000 -0.112 0.000 0.819 292 A HN 0.114 nan 8.150 nan 0.000 0.445 293 K N 0.012 120.443 120.400 0.051 0.000 1.987 293 K HA -0.156 4.168 4.320 0.006 0.000 0.216 293 K C 1.989 178.578 176.600 -0.019 0.000 1.051 293 K CA 1.770 58.158 56.287 0.168 0.000 0.942 293 K CB -0.943 31.677 32.500 0.200 0.000 0.722 293 K HN 0.322 nan 8.250 nan 0.000 0.444 294 V N 1.370 121.182 119.914 -0.171 0.000 2.282 294 V HA -0.217 3.906 4.120 0.006 0.000 0.249 294 V C 2.512 178.480 176.094 -0.209 0.000 1.057 294 V CA 1.688 63.845 62.300 -0.239 0.000 1.032 294 V CB -0.460 31.078 31.823 -0.475 0.000 0.645 294 V HN 0.065 nan 8.190 nan 0.000 0.447 295 V N -0.747 119.024 119.914 -0.237 0.000 2.446 295 V HA -0.071 4.052 4.120 0.006 0.000 0.244 295 V C 2.105 178.088 176.094 -0.185 0.000 1.039 295 V CA 1.490 63.676 62.300 -0.190 0.000 1.045 295 V CB -0.276 31.453 31.823 -0.157 0.000 0.681 295 V HN 0.417 nan 8.190 nan 0.000 0.459 296 L N 0.407 121.447 121.223 -0.304 0.000 2.270 296 L HA -0.037 4.306 4.340 0.006 0.000 0.210 296 L C 2.529 179.344 176.870 -0.092 0.000 1.104 296 L CA 1.462 56.086 54.840 -0.359 0.000 0.804 296 L CB -0.770 40.682 42.059 -1.010 0.000 0.937 296 L HN 0.496 nan 8.230 nan 0.000 0.450 297 T N -3.708 110.856 114.554 0.016 0.000 3.163 297 T HA -0.102 4.251 4.350 0.006 0.000 0.260 297 T C 0.632 175.351 174.700 0.031 0.000 1.156 297 T CA 0.102 62.266 62.100 0.106 0.000 1.072 297 T CB -0.436 68.513 68.868 0.134 0.000 0.937 297 T HN 0.105 nan 8.240 nan 0.000 0.528 298 D N 2.445 122.837 120.400 -0.012 0.000 2.359 298 D HA 0.223 4.867 4.640 0.006 0.000 0.230 298 D C -1.373 174.918 176.300 -0.016 0.000 1.118 298 D CA -2.812 51.179 54.000 -0.015 0.000 0.844 298 D CB 1.944 42.728 40.800 -0.028 0.000 1.059 298 D HN -0.013 nan 8.370 nan 0.000 0.493 299 P HA -0.181 nan 4.420 nan 0.000 0.216 299 P C 1.120 178.398 177.300 -0.037 0.000 1.153 299 P CA 0.859 63.946 63.100 -0.022 0.000 0.858 299 P CB 0.387 32.075 31.700 -0.021 0.000 0.789 300 E N -0.811 119.380 120.200 -0.015 0.000 2.208 300 E HA 0.000 4.354 4.350 0.006 0.000 0.193 300 E C 2.241 178.891 176.600 0.083 0.000 0.988 300 E CA 0.910 57.316 56.400 0.011 0.000 0.828 300 E CB -0.893 28.826 29.700 0.032 0.000 0.763 300 E HN 0.365 nan 8.360 nan 0.000 0.478 301 A N 0.615 123.465 122.820 0.050 0.000 1.855 301 A HA 0.229 4.553 4.320 0.006 0.000 0.213 301 A C 2.473 180.086 177.584 0.049 0.000 1.195 301 A CA 1.464 53.541 52.037 0.067 0.000 0.610 301 A CB -0.763 18.234 19.000 -0.005 0.000 0.837 301 A HN 0.477 nan 8.150 nan 0.000 0.444 302 A N 0.836 123.641 122.820 -0.024 0.000 2.119 302 A HA -0.083 4.241 4.320 0.006 0.000 0.217 302 A C 1.939 179.478 177.584 -0.075 0.000 1.153 302 A CA 1.541 53.545 52.037 -0.055 0.000 0.692 302 A CB -0.567 18.393 19.000 -0.066 0.000 0.799 302 A HN 0.706 nan 8.150 nan 0.000 0.458 303 K N -1.713 118.598 120.400 -0.148 0.000 2.280 303 K HA -0.128 4.196 4.320 0.006 0.000 0.202 303 K C 1.102 177.480 176.600 -0.370 0.000 1.047 303 K CA 1.633 57.744 56.287 -0.293 0.000 0.942 303 K CB -0.436 31.798 32.500 -0.443 0.000 0.739 303 K HN 0.584 nan 8.250 nan 0.000 0.457 304 Y N 0.873 121.135 120.300 -0.064 0.000 2.458 304 Y HA 0.175 4.728 4.550 0.006 0.000 0.254 304 Y C 0.301 176.152 175.900 -0.080 0.000 1.120 304 Y CA -0.730 57.321 58.100 -0.082 0.000 1.282 304 Y CB 1.189 39.578 38.460 -0.118 0.000 1.109 304 Y HN -0.218 nan 8.280 nan 0.000 0.526 305 V N 1.089 121.035 119.914 0.053 0.000 2.334 305 V HA 0.002 4.126 4.120 0.006 0.000 0.267 305 V C 0.730 176.841 176.094 0.028 0.000 1.040 305 V CA -0.256 62.048 62.300 0.007 0.000 0.866 305 V CB 0.635 32.432 31.823 -0.044 0.000 1.019 305 V HN 0.324 nan 8.190 nan 0.000 0.468 306 H N 3.900 122.932 119.070 -0.063 0.000 2.524 306 H HA 0.333 4.892 4.556 0.006 0.000 0.282 306 H C 0.782 176.097 175.328 -0.021 0.000 1.016 306 H CA 0.930 56.951 56.048 -0.044 0.000 1.270 306 H CB 0.398 30.117 29.762 -0.072 0.000 1.394 306 H HN 0.774 nan 8.280 nan 0.000 0.568 307 G N -0.928 107.778 108.800 -0.157 0.000 2.356 307 G HA2 0.326 4.290 3.960 0.006 0.000 0.294 307 G HA3 0.326 4.290 3.960 0.006 0.000 0.294 307 G C -1.624 173.227 174.900 -0.081 0.000 1.423 307 G CA -0.631 44.374 45.100 -0.160 0.000 0.806 307 G HN 0.127 nan 8.290 nan 0.000 0.527 308 I N 1.380 121.934 120.570 -0.027 0.000 2.330 308 I HA 0.554 4.727 4.170 0.006 0.000 0.289 308 I C 0.714 176.857 176.117 0.043 0.000 1.001 308 I CA -0.682 60.612 61.300 -0.010 0.000 1.193 308 I CB 1.727 39.727 38.000 0.001 0.000 1.345 308 I HN 0.667 nan 8.210 nan 0.000 0.461 309 A N 6.958 129.786 122.820 0.014 0.000 2.331 309 A HA 0.736 5.059 4.320 0.006 0.000 0.283 309 A C -0.237 177.361 177.584 0.023 0.000 1.142 309 A CA -0.406 51.685 52.037 0.090 0.000 0.812 309 A CB 0.875 19.904 19.000 0.048 0.000 1.074 309 A HN 0.633 nan 8.150 nan 0.000 0.497 310 V N 0.589 120.547 119.914 0.075 0.000 3.040 310 V HA 0.711 4.834 4.120 0.006 0.000 0.312 310 V C -0.584 175.612 176.094 0.171 0.000 1.115 310 V CA -0.765 61.559 62.300 0.039 0.000 0.998 310 V CB 1.531 33.349 31.823 -0.009 0.000 1.042 310 V HN 0.957 nan 8.190 nan 0.000 0.433 311 H N 1.482 120.516 119.070 -0.059 0.000 2.731 311 H HA 0.506 5.065 4.556 0.006 0.000 0.368 311 H C -1.740 173.726 175.328 0.231 0.000 1.168 311 H CA -0.617 55.412 56.048 -0.031 0.000 1.181 311 H CB 2.602 32.367 29.762 0.004 0.000 1.743 311 H HN 0.844 nan 8.280 nan 0.000 0.547 312 W N 2.746 124.011 121.300 -0.058 0.000 3.097 312 W HA 0.206 4.870 4.660 0.006 0.000 0.335 312 W C -1.791 174.749 176.519 0.035 0.000 1.114 312 W CA -0.746 56.638 57.345 0.065 0.000 1.231 312 W CB 1.670 31.153 29.460 0.038 0.000 1.388 312 W HN 0.575 nan 8.180 nan 0.000 0.485 313 Y N 5.349 125.261 120.300 -0.647 0.000 2.404 313 Y HA 0.112 4.666 4.550 0.006 0.000 0.344 313 Y C 1.180 176.549 175.900 -0.886 0.000 0.995 313 Y CA 0.157 57.910 58.100 -0.578 0.000 1.201 313 Y CB 0.813 39.113 38.460 -0.266 0.000 1.151 313 Y HN 0.316 nan 8.280 nan 0.000 0.517 314 L N 1.917 122.921 121.223 -0.365 0.000 2.418 314 L HA -0.086 4.257 4.340 0.006 0.000 0.218 314 L C 1.464 178.257 176.870 -0.129 0.000 1.125 314 L CA 0.468 55.212 54.840 -0.160 0.000 0.835 314 L CB -0.056 41.977 42.059 -0.045 0.000 0.953 314 L HN 0.682 nan 8.230 nan 0.000 0.454 315 D N 0.724 120.949 120.400 -0.293 0.000 2.104 315 D HA -0.154 4.489 4.640 0.006 0.000 0.194 315 D C 1.072 177.154 176.300 -0.364 0.000 0.994 315 D CA 1.443 55.199 54.000 -0.407 0.000 0.830 315 D CB -0.075 40.316 40.800 -0.682 0.000 0.959 315 D HN 0.152 nan 8.370 nan 0.000 0.452 316 F N -0.170 119.716 119.950 -0.107 0.000 2.173 316 F HA 0.354 4.885 4.527 0.006 0.000 0.280 316 F C 0.750 176.757 175.800 0.345 0.000 1.175 316 F CA -0.610 57.413 58.000 0.038 0.000 1.166 316 F CB 0.441 39.389 39.000 -0.087 0.000 1.589 316 F HN -0.231 nan 8.300 nan 0.000 0.513 317 L N 0.643 122.371 121.223 0.842 0.000 2.666 317 L HA 0.495 4.839 4.340 0.006 0.000 0.258 317 L C -0.719 176.427 176.870 0.460 0.000 0.991 317 L CA -0.348 54.931 54.840 0.731 0.000 0.916 317 L CB 0.666 42.972 42.059 0.412 0.000 1.199 317 L HN 0.734 nan 8.230 nan 0.000 0.439 318 A N 5.062 127.934 122.820 0.087 0.000 2.313 318 A HA 0.802 5.126 4.320 0.006 0.000 0.261 318 A C -2.444 174.982 177.584 -0.264 0.000 1.090 318 A CA -0.876 50.937 52.037 -0.373 0.000 0.807 318 A CB -0.154 18.127 19.000 -1.199 0.000 1.055 318 A HN 0.443 nan 8.150 nan 0.000 0.492 319 P HA 0.457 nan 4.420 nan 0.000 0.281 319 P C 0.135 177.240 177.300 -0.326 0.000 1.249 319 P CA 0.094 63.076 63.100 -0.197 0.000 0.810 319 P CB 1.755 33.377 31.700 -0.130 0.000 1.008 320 A N 2.377 124.949 122.820 -0.413 0.000 1.973 320 A HA 0.012 4.336 4.320 0.006 0.000 0.210 320 A C 2.109 179.210 177.584 -0.804 0.000 1.200 320 A CA 0.741 52.376 52.037 -0.670 0.000 0.707 320 A CB -0.696 17.770 19.000 -0.891 0.000 0.862 320 A HN 0.548 nan 8.150 nan 0.000 0.461 321 K N 0.245 120.223 120.400 -0.704 0.000 2.001 321 K HA -0.166 4.158 4.320 0.006 0.000 0.214 321 K C 2.121 178.616 176.600 -0.175 0.000 1.050 321 K CA 1.546 57.614 56.287 -0.365 0.000 0.934 321 K CB -0.335 32.118 32.500 -0.078 0.000 0.718 321 K HN 0.340 nan 8.250 nan 0.000 0.443 322 A N 0.372 123.106 122.820 -0.143 0.000 1.972 322 A HA -0.156 4.168 4.320 0.006 0.000 0.219 322 A C 2.098 179.638 177.584 -0.074 0.000 1.169 322 A CA 2.296 54.287 52.037 -0.077 0.000 0.635 322 A CB -0.822 18.140 19.000 -0.064 0.000 0.810 322 A HN 0.703 nan 8.150 nan 0.000 0.446 323 T N -2.062 112.411 114.554 -0.135 0.000 3.065 323 T HA 0.134 4.488 4.350 0.006 0.000 0.234 323 T C 1.793 176.451 174.700 -0.070 0.000 1.017 323 T CA 0.862 62.900 62.100 -0.104 0.000 1.292 323 T CB -0.806 67.962 68.868 -0.167 0.000 1.005 323 T HN 0.175 nan 8.240 nan 0.000 0.423 324 L N 1.324 122.468 121.223 -0.131 0.000 2.141 324 L HA 0.215 4.558 4.340 0.006 0.000 0.209 324 L C 3.122 180.060 176.870 0.113 0.000 1.094 324 L CA 1.233 56.063 54.840 -0.017 0.000 0.763 324 L CB -1.133 40.901 42.059 -0.041 0.000 0.908 324 L HN 0.572 nan 8.230 nan 0.000 0.437 325 G N 0.098 108.928 108.800 0.051 0.000 2.434 325 G HA2 -0.303 3.661 3.960 0.006 0.000 0.214 325 G HA3 -0.303 3.661 3.960 0.006 0.000 0.214 325 G C 1.466 176.483 174.900 0.196 0.000 1.202 325 G CA 0.813 46.068 45.100 0.259 0.000 0.788 325 G HN 0.317 nan 8.290 nan 0.000 0.539 326 E N 0.408 120.666 120.200 0.097 0.000 2.160 326 E HA -0.089 4.264 4.350 0.006 0.000 0.195 326 E C 2.546 179.199 176.600 0.088 0.000 0.991 326 E CA 1.719 58.162 56.400 0.073 0.000 0.810 326 E CB -0.600 29.126 29.700 0.044 0.000 0.742 326 E HN 0.344 nan 8.360 nan 0.000 0.466 327 T N -0.372 114.261 114.554 0.132 0.000 2.821 327 T HA -0.148 4.205 4.350 0.006 0.000 0.267 327 T C 1.619 176.446 174.700 0.212 0.000 1.046 327 T CA 1.309 63.529 62.100 0.201 0.000 1.139 327 T CB -0.441 68.537 68.868 0.183 0.000 0.871 327 T HN 0.408 nan 8.240 nan 0.000 0.454 328 H N 1.112 120.231 119.070 0.081 0.000 2.333 328 H HA 0.030 4.590 4.556 0.006 0.000 0.302 328 H C 2.643 177.936 175.328 -0.059 0.000 1.075 328 H CA 1.371 57.416 56.048 -0.006 0.000 1.348 328 H CB 0.051 29.717 29.762 -0.160 0.000 1.393 328 H HN 0.130 nan 8.280 nan 0.000 0.509 329 R N 0.471 120.901 120.500 -0.116 0.000 2.143 329 R HA -0.197 4.147 4.340 0.006 0.000 0.239 329 R C 2.822 178.963 176.300 -0.266 0.000 1.126 329 R CA 2.245 58.240 56.100 -0.174 0.000 0.927 329 R CB -0.582 29.685 30.300 -0.055 0.000 0.860 329 R HN 0.330 nan 8.270 nan 0.000 0.433 330 L N -1.475 119.587 121.223 -0.269 0.000 2.083 330 L HA -0.083 4.260 4.340 0.006 0.000 0.209 330 L C 0.428 176.737 176.870 -0.935 0.000 1.083 330 L CA 0.978 55.445 54.840 -0.621 0.000 0.752 330 L CB 0.005 41.670 42.059 -0.657 0.000 0.899 330 L HN 0.143 nan 8.230 nan 0.000 0.433 331 F N -1.882 118.012 119.950 -0.093 0.000 2.710 331 F HA 0.294 4.824 4.527 0.006 0.000 0.345 331 F C -1.851 173.883 175.800 -0.110 0.000 1.362 331 F CA -1.493 56.461 58.000 -0.077 0.000 1.175 331 F CB 0.486 39.470 39.000 -0.026 0.000 1.561 331 F HN -0.217 nan 8.300 nan 0.000 0.593 332 P HA -0.102 nan 4.420 nan 0.000 0.217 332 P C 0.451 177.759 177.300 0.015 0.000 1.150 332 P CA 1.514 64.460 63.100 -0.256 0.000 0.832 332 P CB 0.205 31.749 31.700 -0.261 0.000 0.787 333 N N -2.315 116.413 118.700 0.047 0.000 2.268 333 N HA 0.055 4.798 4.740 0.006 0.000 0.204 333 N C -0.544 175.005 175.510 0.066 0.000 1.124 333 N CA 0.276 53.365 53.050 0.066 0.000 0.838 333 N CB 0.027 38.545 38.487 0.051 0.000 0.994 333 N HN -0.045 nan 8.380 nan 0.000 0.489 334 T N 1.942 116.548 114.554 0.087 0.000 2.821 334 T HA 0.265 4.619 4.350 0.006 0.000 0.307 334 T C 0.109 174.838 174.700 0.048 0.000 1.034 334 T CA -0.817 61.301 62.100 0.030 0.000 0.953 334 T CB 0.351 69.232 68.868 0.021 0.000 0.968 334 T HN 0.114 nan 8.240 nan 0.000 0.462 335 M N 3.440 123.025 119.600 -0.025 0.000 2.250 335 M HA 0.334 4.818 4.480 0.006 0.000 0.337 335 M C -0.846 175.498 176.300 0.072 0.000 1.161 335 M CA 0.316 55.637 55.300 0.034 0.000 1.088 335 M CB -0.325 32.267 32.600 -0.012 0.000 1.639 335 M HN 0.332 nan 8.290 nan 0.000 0.447 336 L N 4.377 125.677 121.223 0.127 0.000 2.289 336 L HA 0.671 5.015 4.340 0.006 0.000 0.285 336 L C -0.888 176.094 176.870 0.186 0.000 1.049 336 L CA -0.190 54.732 54.840 0.135 0.000 0.804 336 L CB 0.964 43.096 42.059 0.123 0.000 1.195 336 L HN 0.846 nan 8.230 nan 0.000 0.428 337 F N 2.504 122.460 119.950 0.009 0.000 2.578 337 F HA 0.704 5.234 4.527 0.006 0.000 0.311 337 F C -0.573 175.204 175.800 -0.038 0.000 1.094 337 F CA -0.735 57.268 58.000 0.005 0.000 0.923 337 F CB 1.556 40.598 39.000 0.070 0.000 1.230 337 F HN 0.402 nan 8.300 nan 0.000 0.450 338 A N 3.352 125.775 122.820 -0.662 0.000 2.366 338 A HA 0.428 4.752 4.320 0.006 0.000 0.322 338 A C 0.504 177.713 177.584 -0.626 0.000 1.397 338 A CA 0.140 51.843 52.037 -0.556 0.000 0.984 338 A CB -0.149 18.434 19.000 -0.695 0.000 1.149 338 A HN 0.940 nan 8.150 nan 0.000 0.540 339 S N 1.282 116.941 115.700 -0.068 0.000 2.527 339 S HA 0.109 4.583 4.470 0.006 0.000 0.222 339 S C 0.429 174.836 174.600 -0.323 0.000 0.985 339 S CA 0.595 58.848 58.200 0.087 0.000 0.921 339 S CB 0.044 63.388 63.200 0.240 0.000 0.772 339 S HN 0.795 nan 8.310 nan 0.000 0.529 340 E N -0.184 119.627 120.200 -0.650 0.000 2.343 340 E HA 0.589 4.943 4.350 0.006 0.000 0.288 340 E C -1.761 174.310 176.600 -0.881 0.000 0.907 340 E CA -0.449 55.419 56.400 -0.887 0.000 0.792 340 E CB 1.648 30.486 29.700 -1.437 0.000 1.275 340 E HN 0.308 nan 8.360 nan 0.000 0.402 341 A N 2.480 124.790 122.820 -0.849 0.000 2.435 341 A HA 0.892 5.215 4.320 0.006 0.000 0.304 341 A C -0.772 176.554 177.584 -0.429 0.000 1.064 341 A CA -0.465 51.156 52.037 -0.694 0.000 0.727 341 A CB 1.079 19.621 19.000 -0.764 0.000 1.284 341 A HN 0.870 nan 8.150 nan 0.000 0.415 342 C N -0.235 118.827 119.300 -0.396 0.000 3.288 342 C HA 0.901 5.365 4.460 0.006 0.000 0.318 342 C C -1.012 173.908 174.990 -0.116 0.000 1.356 342 C CA -0.651 58.301 59.018 -0.111 0.000 1.359 342 C CB 0.778 28.538 27.740 0.032 0.000 1.688 342 C HN 1.523 nan 8.230 nan 0.000 0.467 343 V N 1.050 120.996 119.914 0.053 0.000 3.040 343 V HA 0.928 5.052 4.120 0.006 0.000 0.312 343 V C 0.612 176.708 176.094 0.003 0.000 1.115 343 V CA 1.004 63.307 62.300 0.005 0.000 0.998 343 V CB 1.916 33.784 31.823 0.075 0.000 1.042 343 V HN 2.564 nan 8.190 nan 0.000 0.433 344 G N 2.912 111.669 108.800 -0.072 0.000 2.155 344 G HA2 -0.162 3.802 3.960 0.006 0.000 0.130 344 G HA3 -0.162 3.802 3.960 0.006 0.000 0.130 344 G C 0.493 175.349 174.900 -0.073 0.000 1.027 344 G CA 0.253 45.304 45.100 -0.082 0.000 0.705 344 G HN 1.012 nan 8.290 nan 0.000 0.496 345 S N 0.501 116.144 115.700 -0.094 0.000 2.607 345 S HA 0.145 4.619 4.470 0.006 0.000 0.224 345 S C 1.087 175.563 174.600 -0.207 0.000 0.969 345 S CA 0.004 58.155 58.200 -0.081 0.000 0.927 345 S CB 0.126 63.312 63.200 -0.023 0.000 0.772 345 S HN 0.459 nan 8.310 nan 0.000 0.533 346 K N 1.530 121.725 120.400 -0.342 0.000 2.320 346 K HA -0.043 4.281 4.320 0.006 0.000 0.269 346 K C 1.010 177.323 176.600 -0.479 0.000 1.182 346 K CA 0.145 56.069 56.287 -0.605 0.000 1.190 346 K CB -0.559 31.433 32.500 -0.848 0.000 0.850 346 K HN 0.463 nan 8.250 nan 0.000 0.467 347 F N 2.498 122.301 119.950 -0.245 0.000 2.549 347 F HA -0.164 4.366 4.527 0.006 0.000 0.295 347 F C 1.292 177.239 175.800 0.244 0.000 1.124 347 F CA 1.373 59.422 58.000 0.083 0.000 1.482 347 F CB -1.115 nan 39.000 nan 0.000 1.108 347 F HN 0.953 nan 8.300 nan 0.000 0.602 348 W N -1.508 119.800 121.300 0.014 0.000 1.526 348 W HA 0.575 5.239 4.660 0.006 0.000 0.218 348 W C -0.003 176.529 176.519 0.022 0.000 0.797 348 W CA 0.221 57.580 57.345 0.022 0.000 0.997 348 W CB -0.546 28.929 29.460 0.024 0.000 0.926 348 W HN 0.333 nan 8.180 nan 0.000 0.483 349 E N 2.026 121.931 120.200 -0.492 0.000 2.191 349 E HA 0.588 4.942 4.350 0.006 0.000 0.274 349 E C -0.064 176.425 176.600 -0.186 0.000 0.948 349 E CA -0.843 55.371 56.400 -0.311 0.000 0.802 349 E CB 0.747 nan 29.700 nan 0.000 1.137 349 E HN 0.380 nan 8.360 nan 0.000 0.397 350 Q N 0.380 120.120 119.800 -0.099 0.000 2.584 350 Q HA 0.328 4.672 4.340 0.006 0.000 0.218 350 Q C 1.378 177.327 176.000 -0.085 0.000 1.079 350 Q CA 0.226 55.994 55.803 -0.058 0.000 1.008 350 Q CB 0.435 29.159 28.738 -0.024 0.000 1.267 350 Q HN 0.518 nan 8.270 nan 0.000 0.586 351 S N -0.596 115.092 115.700 -0.019 0.000 2.359 351 S HA -0.089 4.385 4.470 0.006 0.000 0.222 351 S C 0.664 175.234 174.600 -0.049 0.000 1.038 351 S CA 1.219 59.427 58.200 0.014 0.000 1.051 351 S CB -0.061 63.207 63.200 0.113 0.000 0.944 351 S HN 0.451 nan 8.310 nan 0.000 0.433 352 V N 2.618 122.481 119.914 -0.085 0.000 2.347 352 V HA 0.367 4.491 4.120 0.006 0.000 0.280 352 V C 0.064 176.034 176.094 -0.207 0.000 1.021 352 V CA -0.438 61.789 62.300 -0.122 0.000 0.847 352 V CB 1.118 32.877 31.823 -0.106 0.000 0.990 352 V HN 0.224 nan 8.190 nan 0.000 0.444 353 R N 4.830 125.153 120.500 -0.295 0.000 2.247 353 R HA 0.444 4.788 4.340 0.006 0.000 0.329 353 R C -0.728 175.360 176.300 -0.354 0.000 1.014 353 R CA -0.568 55.185 56.100 -0.578 0.000 0.907 353 R CB 1.052 30.910 30.300 -0.737 0.000 1.146 353 R HN 0.638 nan 8.270 nan 0.000 0.499 354 L N 2.872 123.986 121.223 -0.181 0.000 2.565 354 L HA 0.058 4.401 4.340 0.006 0.000 0.275 354 L C 1.218 178.168 176.870 0.132 0.000 1.137 354 L CA 0.659 55.402 54.840 -0.162 0.000 0.915 354 L CB 0.527 42.154 42.059 -0.719 0.000 1.232 354 L HN 1.015 nan 8.230 nan 0.000 0.473 355 G N 1.895 110.754 108.800 0.099 0.000 2.148 355 G HA2 -0.253 3.711 3.960 0.006 0.000 0.203 355 G HA3 -0.253 3.711 3.960 0.006 0.000 0.203 355 G C 0.312 175.346 174.900 0.223 0.000 0.993 355 G CA 0.085 45.310 45.100 0.209 0.000 0.661 355 G HN 0.644 nan 8.290 nan 0.000 0.518 356 S N 0.216 115.981 115.700 0.109 0.000 2.481 356 S HA 0.241 4.714 4.470 0.006 0.000 0.282 356 S C 1.206 175.891 174.600 0.142 0.000 1.243 356 S CA 0.503 58.759 58.200 0.093 0.000 1.078 356 S CB 0.025 63.183 63.200 -0.071 0.000 0.916 356 S HN 0.545 nan 8.310 nan 0.000 0.495 357 W N 4.590 125.908 121.300 0.030 0.000 2.467 357 W HA -0.101 4.562 4.660 0.006 0.000 0.275 357 W C 1.104 177.619 176.519 -0.007 0.000 1.239 357 W CA 1.340 58.709 57.345 0.041 0.000 1.266 357 W CB -0.312 29.178 29.460 0.049 0.000 1.112 357 W HN 0.872 nan 8.180 nan 0.000 0.576 358 D N 0.008 120.446 120.400 0.064 0.000 2.117 358 D HA -0.187 4.457 4.640 0.006 0.000 0.197 358 D C 2.288 178.531 176.300 -0.095 0.000 0.987 358 D CA 1.803 55.808 54.000 0.007 0.000 0.829 358 D CB 0.041 40.872 40.800 0.053 0.000 0.961 358 D HN 0.070 nan 8.370 nan 0.000 0.460 359 R N -0.436 119.999 120.500 -0.109 0.000 2.073 359 R HA 0.068 4.412 4.340 0.006 0.000 0.229 359 R C 2.507 178.709 176.300 -0.163 0.000 1.120 359 R CA 1.001 57.059 56.100 -0.071 0.000 0.967 359 R CB -0.582 29.686 30.300 -0.053 0.000 0.862 359 R HN 0.164 nan 8.270 nan 0.000 0.436 360 G N 1.637 110.177 108.800 -0.434 0.000 2.599 360 G HA2 -0.337 3.627 3.960 0.006 0.000 0.219 360 G HA3 -0.337 3.627 3.960 0.006 0.000 0.219 360 G C 1.448 175.600 174.900 -1.246 0.000 1.193 360 G CA 1.307 45.801 45.100 -1.010 0.000 0.778 360 G HN 0.186 nan 8.290 nan 0.000 0.589 361 M N -0.070 118.965 119.600 -0.941 0.000 2.213 361 M HA -0.098 4.386 4.480 0.006 0.000 0.263 361 M C 2.766 179.043 176.300 -0.039 0.000 1.062 361 M CA 1.302 56.387 55.300 -0.358 0.000 1.105 361 M CB -0.322 32.217 32.600 -0.101 0.000 1.385 361 M HN 0.354 nan 8.290 nan 0.000 0.417 362 Q N -0.764 119.031 119.800 -0.007 0.000 2.079 362 Q HA -0.171 4.173 4.340 0.006 0.000 0.200 362 Q C 1.850 177.941 176.000 0.151 0.000 0.974 362 Q CA 1.461 57.342 55.803 0.130 0.000 0.840 362 Q CB -0.163 28.647 28.738 0.121 0.000 0.898 362 Q HN 0.481 nan 8.270 nan 0.000 0.430 363 Y N 0.785 121.058 120.300 -0.044 0.000 2.165 363 Y HA -0.258 4.296 4.550 0.006 0.000 0.286 363 Y C 2.777 178.531 175.900 -0.244 0.000 1.155 363 Y CA 1.758 59.811 58.100 -0.077 0.000 1.164 363 Y CB -0.136 38.291 38.460 -0.054 0.000 0.978 363 Y HN 0.178 nan 8.280 nan 0.000 0.513 364 S N -1.774 113.995 115.700 0.114 0.000 2.406 364 S HA -0.172 4.302 4.470 0.006 0.000 0.224 364 S C 1.982 176.601 174.600 0.033 0.000 1.030 364 S CA 0.950 59.234 58.200 0.141 0.000 0.958 364 S CB -0.847 62.676 63.200 0.539 0.000 0.811 364 S HN 0.601 nan 8.310 nan 0.000 0.489 365 H N 1.351 120.448 119.070 0.045 0.000 2.352 365 H HA -0.030 4.529 4.556 0.006 0.000 0.299 365 H C 2.234 177.547 175.328 -0.024 0.000 1.097 365 H CA 1.654 57.725 56.048 0.037 0.000 1.311 365 H CB -0.322 29.483 29.762 0.072 0.000 1.377 365 H HN 0.489 nan 8.280 nan 0.000 0.504 366 S N 0.020 115.623 115.700 -0.162 0.000 2.356 366 S HA -0.093 4.381 4.470 0.006 0.000 0.223 366 S C 2.397 176.777 174.600 -0.367 0.000 1.032 366 S CA 1.069 59.164 58.200 -0.174 0.000 1.005 366 S CB -0.265 62.984 63.200 0.083 0.000 0.867 366 S HN 0.407 nan 8.310 nan 0.000 0.449 367 I N 0.973 121.090 120.570 -0.755 0.000 2.264 367 I HA -0.201 3.973 4.170 0.006 0.000 0.248 367 I C 1.973 177.727 176.117 -0.604 0.000 1.111 367 I CA 1.183 61.845 61.300 -1.063 0.000 1.382 367 I CB -0.256 36.749 38.000 -1.659 0.000 1.060 367 I HN 0.333 nan 8.210 nan 0.000 0.418 368 I N -0.322 119.997 120.570 -0.418 0.000 2.163 368 I HA -0.270 3.903 4.170 0.006 0.000 0.240 368 I C 2.488 178.492 176.117 -0.189 0.000 1.081 368 I CA 1.476 62.666 61.300 -0.182 0.000 1.353 368 I CB -0.594 37.396 38.000 -0.018 0.000 1.054 368 I HN 0.140 nan 8.210 nan 0.000 0.407 369 T N 0.546 114.950 114.554 -0.249 0.000 2.699 369 T HA -0.219 4.135 4.350 0.006 0.000 0.268 369 T C 1.779 176.462 174.700 -0.028 0.000 1.036 369 T CA 1.665 63.674 62.100 -0.151 0.000 1.147 369 T CB -0.457 68.256 68.868 -0.259 0.000 0.862 369 T HN 0.361 nan 8.240 nan 0.000 0.446 370 N N 0.680 119.329 118.700 -0.085 0.000 2.039 370 N HA -0.027 4.717 4.740 0.006 0.000 0.193 370 N C 1.977 177.450 175.510 -0.062 0.000 1.044 370 N CA 1.158 54.193 53.050 -0.025 0.000 0.847 370 N CB -0.280 38.224 38.487 0.028 0.000 1.030 370 N HN 0.312 nan 8.380 nan 0.000 0.422 371 L N 1.374 122.522 121.223 -0.124 0.000 2.081 371 L HA -0.166 4.178 4.340 0.006 0.000 0.212 371 L C 2.265 178.980 176.870 -0.259 0.000 1.080 371 L CA 0.866 55.623 54.840 -0.138 0.000 0.754 371 L CB -0.392 41.613 42.059 -0.090 0.000 0.893 371 L HN 0.226 nan 8.230 nan 0.000 0.433 372 L N -1.616 119.423 121.223 -0.308 0.000 2.456 372 L HA -0.171 4.172 4.340 0.006 0.000 0.224 372 L C 0.566 176.901 176.870 -0.891 0.000 1.148 372 L CA 0.883 55.385 54.840 -0.563 0.000 0.825 372 L CB -0.153 41.605 42.059 -0.502 0.000 0.937 372 L HN 0.287 nan 8.230 nan 0.000 0.450 373 Y N -1.121 118.913 120.300 -0.443 0.000 2.617 373 Y HA 0.232 4.785 4.550 0.006 0.000 0.328 373 Y C 0.375 176.043 175.900 -0.386 0.000 0.946 373 Y CA -0.676 57.119 58.100 -0.507 0.000 1.241 373 Y CB -0.218 38.119 38.460 -0.204 0.000 1.226 373 Y HN 0.148 nan 8.280 nan 0.000 0.582 374 H N -2.830 116.158 119.070 -0.136 0.000 3.641 374 H HA -0.161 4.398 4.556 0.006 0.000 0.193 374 H C 0.164 175.440 175.328 -0.087 0.000 1.013 374 H CA 0.600 56.534 56.048 -0.190 0.000 1.212 374 H CB -1.604 27.883 29.762 -0.459 0.000 1.089 374 H HN 0.145 nan 8.280 nan 0.000 0.339 375 V N 2.665 122.593 119.914 0.022 0.000 2.655 375 V HA 0.028 4.151 4.120 0.006 0.000 0.300 375 V C 2.054 178.139 176.094 -0.015 0.000 1.044 375 V CA 0.765 63.074 62.300 0.014 0.000 1.095 375 V CB 1.515 33.332 31.823 -0.010 0.000 0.952 375 V HN 0.341 nan 8.190 nan 0.000 0.485 376 V N 1.887 121.811 119.914 0.016 0.000 3.471 376 V HA 0.557 4.681 4.120 0.006 0.000 0.258 376 V C 0.777 176.805 176.094 -0.110 0.000 1.192 376 V CA 1.086 63.398 62.300 0.020 0.000 1.116 376 V CB -0.284 31.617 31.823 0.131 0.000 0.792 376 V HN 0.885 nan 8.190 nan 0.000 0.459 377 G N -1.549 107.055 108.800 -0.327 0.000 2.827 377 G HA2 0.538 4.502 3.960 0.006 0.000 0.296 377 G HA3 0.538 4.502 3.960 0.006 0.000 0.296 377 G C -2.537 171.848 174.900 -0.857 0.000 1.362 377 G CA -0.714 43.953 45.100 -0.721 0.000 0.809 377 G HN 0.306 nan 8.290 nan 0.000 0.522 378 W N 0.451 121.066 121.300 -1.141 0.000 3.775 378 W HA 0.536 5.200 4.660 0.006 0.000 0.315 378 W C -1.031 175.198 176.519 -0.484 0.000 1.169 378 W CA -0.358 56.541 57.345 -0.745 0.000 1.266 378 W CB 1.874 31.053 29.460 -0.469 0.000 1.269 378 W HN 0.558 nan 8.180 nan 0.000 0.471 379 T N 3.805 117.981 114.554 -0.630 0.000 2.815 379 T HA 0.174 4.528 4.350 0.006 0.000 0.289 379 T C -0.747 173.698 174.700 -0.425 0.000 1.000 379 T CA -0.493 61.398 62.100 -0.349 0.000 0.958 379 T CB 1.361 70.159 68.868 -0.116 0.000 0.944 379 T HN 0.335 nan 8.240 nan 0.000 0.442 380 D N 1.309 121.620 120.400 -0.148 0.000 2.344 380 D HA 0.157 4.800 4.640 0.006 0.000 0.244 380 D C 0.524 176.881 176.300 0.094 0.000 1.134 380 D CA -0.610 53.391 54.000 0.001 0.000 0.930 380 D CB 0.892 41.882 40.800 0.317 0.000 1.175 380 D HN 0.577 nan 8.370 nan 0.000 0.437 381 W N 2.253 123.462 121.300 -0.151 0.000 1.255 381 W HA -0.006 4.657 4.660 0.006 0.000 0.517 381 W C 0.457 176.891 176.519 -0.142 0.000 1.084 381 W CA -0.539 56.703 57.345 -0.172 0.000 1.212 381 W CB -0.044 29.277 29.460 -0.231 0.000 2.290 381 W HN 0.291 nan 8.180 nan 0.000 0.716 382 N N 2.550 120.982 118.700 -0.447 0.000 2.454 382 N HA -0.052 4.692 4.740 0.006 0.000 0.260 382 N C 0.867 176.277 175.510 -0.165 0.000 1.218 382 N CA 0.189 52.914 53.050 -0.541 0.000 0.904 382 N CB 1.117 39.089 38.487 -0.859 0.000 1.065 382 N HN 0.349 nan 8.380 nan 0.000 0.462 383 L N 1.002 122.179 121.223 -0.076 0.000 2.079 383 L HA -0.150 4.193 4.340 0.006 0.000 0.210 383 L C 1.020 177.996 176.870 0.177 0.000 1.081 383 L CA 1.116 55.987 54.840 0.052 0.000 0.752 383 L CB -0.176 41.922 42.059 0.064 0.000 0.896 383 L HN 0.619 nan 8.230 nan 0.000 0.433 384 A N -0.865 121.974 122.820 0.031 0.000 2.547 384 A HA 0.714 5.038 4.320 0.006 0.000 0.297 384 A C -1.085 176.467 177.584 -0.054 0.000 1.056 384 A CA -0.541 51.507 52.037 0.017 0.000 0.688 384 A CB 1.349 20.355 19.000 0.009 0.000 1.282 384 A HN 0.014 nan 8.150 nan 0.000 0.400 385 L N 1.273 122.477 121.223 -0.033 0.000 2.279 385 L HA 0.521 4.865 4.340 0.006 0.000 0.262 385 L C 0.277 177.154 176.870 0.011 0.000 1.019 385 L CA -1.300 53.530 54.840 -0.016 0.000 0.823 385 L CB 1.954 44.004 42.059 -0.015 0.000 1.358 385 L HN 0.970 nan 8.230 nan 0.000 0.432 386 N N 0.001 118.711 118.700 0.017 0.000 2.327 386 N HA 0.234 4.977 4.740 0.006 0.000 0.257 386 N C -2.328 173.168 175.510 -0.023 0.000 1.281 386 N CA -1.492 51.560 53.050 0.004 0.000 0.942 386 N CB -0.270 38.215 38.487 -0.003 0.000 1.199 386 N HN 0.180 nan 8.380 nan 0.000 0.532 387 P HA -0.064 nan 4.420 nan 0.000 0.220 387 P C 0.597 177.820 177.300 -0.129 0.000 1.148 387 P CA 0.994 64.057 63.100 -0.061 0.000 0.803 387 P CB 0.067 31.750 31.700 -0.029 0.000 0.782 388 E N -1.682 118.395 120.200 -0.204 0.000 2.347 388 E HA 0.160 4.514 4.350 0.006 0.000 0.196 388 E C 1.728 178.043 176.600 -0.475 0.000 1.008 388 E CA 0.774 56.922 56.400 -0.419 0.000 0.852 388 E CB -1.192 28.114 29.700 -0.655 0.000 0.783 388 E HN 0.482 nan 8.360 nan 0.000 0.505 389 G N -0.377 108.308 108.800 -0.193 0.000 2.144 389 G HA2 -0.156 3.807 3.960 0.006 0.000 0.218 389 G HA3 -0.156 3.807 3.960 0.006 0.000 0.218 389 G C 0.467 175.536 174.900 0.282 0.000 0.988 389 G CA -0.043 45.085 45.100 0.047 0.000 0.659 389 G HN 0.822 nan 8.290 nan 0.000 0.522 390 G N -0.441 108.430 108.800 0.119 0.000 2.938 390 G HA2 0.853 4.817 3.960 0.006 0.000 0.258 390 G HA3 0.853 4.817 3.960 0.006 0.000 0.258 390 G C -2.810 172.211 174.900 0.202 0.000 1.356 390 G CA -0.890 44.394 45.100 0.307 0.000 1.052 390 G HN 0.216 nan 8.290 nan 0.000 0.550 391 P HA 0.195 nan 4.420 nan 0.000 0.284 391 P C -1.200 176.181 177.300 0.135 0.000 1.253 391 P CA -0.481 62.735 63.100 0.194 0.000 0.800 391 P CB 1.552 33.328 31.700 0.126 0.000 0.961 392 N N 3.403 122.138 118.700 0.058 0.000 2.549 392 N HA 0.058 4.802 4.740 0.006 0.000 0.281 392 N C 1.156 176.498 175.510 -0.280 0.000 1.084 392 N CA -0.651 52.170 53.050 -0.381 0.000 0.862 392 N CB 0.858 38.802 38.487 -0.905 0.000 1.333 392 N HN 0.521 nan 8.380 nan 0.000 0.523 393 W N 3.845 124.986 121.300 -0.265 0.000 2.389 393 W HA -0.019 4.644 4.660 0.006 0.000 0.267 393 W C -0.227 176.185 176.519 -0.178 0.000 1.219 393 W CA 0.335 57.584 57.345 -0.161 0.000 1.189 393 W CB -0.530 28.864 29.460 -0.110 0.000 1.129 393 W HN 0.282 nan 8.180 nan 0.000 0.581 394 V N 2.467 121.755 119.914 -1.044 0.000 3.253 394 V HA 0.249 4.373 4.120 0.006 0.000 0.320 394 V C 1.305 176.955 176.094 -0.740 0.000 1.442 394 V CA -0.298 61.319 62.300 -1.137 0.000 1.097 394 V CB -0.630 30.227 31.823 -1.610 0.000 1.008 394 V HN 0.113 nan 8.190 nan 0.000 0.463 395 R N 0.816 120.847 120.500 -0.782 0.000 3.741 395 R HA -0.234 4.110 4.340 0.006 0.000 0.292 395 R C 0.772 176.323 176.300 -1.250 0.000 1.176 395 R CA 1.099 56.506 56.100 -1.156 0.000 0.794 395 R CB -2.357 27.576 30.300 -0.613 0.000 1.213 395 R HN 0.672 nan 8.270 nan 0.000 0.494 396 N N 1.054 119.174 118.700 -0.967 0.000 2.878 396 N HA 0.011 4.754 4.740 0.006 0.000 0.282 396 N C -0.311 174.923 175.510 -0.460 0.000 1.284 396 N CA -0.186 52.499 53.050 -0.607 0.000 1.053 396 N CB 0.041 38.196 38.487 -0.554 0.000 1.382 396 N HN 0.028 nan 8.380 nan 0.000 0.529 397 F N 0.218 120.103 119.950 -0.108 0.000 2.586 397 F HA 0.074 4.604 4.527 0.006 0.000 0.344 397 F C 1.204 177.099 175.800 0.159 0.000 1.188 397 F CA -0.382 57.641 58.000 0.038 0.000 1.359 397 F CB 0.123 39.135 39.000 0.019 0.000 1.129 397 F HN -0.139 nan 8.300 nan 0.000 0.609 398 V N -2.767 117.416 119.914 0.448 0.000 3.065 398 V HA 0.571 4.695 4.120 0.006 0.000 0.312 398 V C -0.975 175.203 176.094 0.141 0.000 1.412 398 V CA -0.996 61.455 62.300 0.251 0.000 1.039 398 V CB 1.497 33.477 31.823 0.261 0.000 1.077 398 V HN 0.603 nan 8.190 nan 0.000 0.473 399 D N -0.314 120.128 120.400 0.070 0.000 2.478 399 D HA 0.748 5.392 4.640 0.006 0.000 0.263 399 D C -0.670 175.635 176.300 0.008 0.000 1.153 399 D CA 0.258 54.270 54.000 0.020 0.000 1.038 399 D CB 2.031 42.830 40.800 -0.002 0.000 1.120 399 D HN 0.922 nan 8.370 nan 0.000 0.564 400 S N -0.903 114.796 115.700 -0.002 0.000 2.537 400 S HA 0.398 4.871 4.470 0.006 0.000 0.271 400 S C -2.441 172.178 174.600 0.031 0.000 1.148 400 S CA -1.041 57.166 58.200 0.012 0.000 0.868 400 S CB 1.702 64.886 63.200 -0.027 0.000 1.115 400 S HN 0.092 nan 8.310 nan 0.000 0.461 401 P HA 0.188 nan 4.420 nan 0.000 0.222 401 P C -0.308 177.065 177.300 0.121 0.000 1.147 401 P CA 0.971 64.133 63.100 0.103 0.000 0.790 401 P CB 0.054 31.892 31.700 0.230 0.000 0.780 402 I N -0.360 120.282 120.570 0.121 0.000 2.498 402 I HA 0.271 4.445 4.170 0.006 0.000 0.290 402 I C -0.686 175.478 176.117 0.079 0.000 1.032 402 I CA -0.989 60.354 61.300 0.071 0.000 1.073 402 I CB 2.458 40.450 38.000 -0.014 0.000 1.251 402 I HN -0.317 nan 8.210 nan 0.000 0.426 403 I N 6.636 127.278 120.570 0.120 0.000 2.465 403 I HA 0.370 4.543 4.170 0.006 0.000 0.291 403 I C -0.208 175.985 176.117 0.127 0.000 1.014 403 I CA -0.842 60.529 61.300 0.117 0.000 1.093 403 I CB 1.964 40.048 38.000 0.140 0.000 1.267 403 I HN 0.091 nan 8.210 nan 0.000 0.431 404 V N 5.048 125.005 119.914 0.072 0.000 2.347 404 V HA 0.278 4.402 4.120 0.006 0.000 0.280 404 V C 0.019 176.139 176.094 0.044 0.000 1.021 404 V CA -0.563 61.765 62.300 0.046 0.000 0.847 404 V CB 1.699 33.528 31.823 0.009 0.000 0.990 404 V HN 0.616 nan 8.190 nan 0.000 0.444 405 D N 4.818 125.227 120.400 0.016 0.000 2.499 405 D HA 0.231 4.875 4.640 0.006 0.000 0.225 405 D C 1.358 177.675 176.300 0.027 0.000 1.124 405 D CA -0.406 53.626 54.000 0.054 0.000 0.938 405 D CB 0.825 41.701 40.800 0.126 0.000 1.014 405 D HN 0.586 nan 8.370 nan 0.000 0.517 406 I N 0.741 121.328 120.570 0.029 0.000 2.248 406 I HA -0.258 3.915 4.170 0.006 0.000 0.248 406 I C 1.998 178.129 176.117 0.024 0.000 1.107 406 I CA 1.650 62.964 61.300 0.023 0.000 1.373 406 I CB -1.031 36.981 38.000 0.019 0.000 1.055 406 I HN 0.232 nan 8.210 nan 0.000 0.418 407 T N -0.715 113.857 114.554 0.031 0.000 2.881 407 T HA -0.106 4.247 4.350 0.006 0.000 0.270 407 T C 1.644 176.361 174.700 0.029 0.000 1.068 407 T CA 1.369 63.487 62.100 0.031 0.000 1.131 407 T CB -0.347 68.543 68.868 0.037 0.000 0.871 407 T HN 0.520 nan 8.240 nan 0.000 0.479 408 K N 0.415 120.834 120.400 0.031 0.000 2.358 408 K HA 0.159 4.483 4.320 0.006 0.000 0.197 408 K C 0.434 177.036 176.600 0.004 0.000 1.025 408 K CA 0.368 56.669 56.287 0.023 0.000 1.104 408 K CB 0.247 32.771 32.500 0.040 0.000 0.855 408 K HN 0.228 nan 8.250 nan 0.000 0.531 409 D N 1.998 122.404 120.400 0.008 0.000 2.737 409 D HA -0.165 4.479 4.640 0.006 0.000 0.233 409 D C -0.724 175.579 176.300 0.005 0.000 1.155 409 D CA 1.388 55.398 54.000 0.016 0.000 0.667 409 D CB -0.854 39.958 40.800 0.019 0.000 1.060 409 D HN 0.408 nan 8.370 nan 0.000 0.427 410 T N -1.862 112.663 114.554 -0.049 0.000 2.916 410 T HA 0.746 5.100 4.350 0.006 0.000 0.292 410 T C -0.190 174.389 174.700 -0.202 0.000 1.055 410 T CA -0.839 61.159 62.100 -0.171 0.000 1.009 410 T CB 1.644 70.341 68.868 -0.285 0.000 1.118 410 T HN 0.370 nan 8.240 nan 0.000 0.497 411 F N -0.435 119.261 119.950 -0.423 0.000 2.599 411 F HA 0.806 5.336 4.527 0.006 0.000 0.311 411 F C -1.887 173.590 175.800 -0.538 0.000 1.076 411 F CA -1.774 55.946 58.000 -0.467 0.000 0.937 411 F CB 1.203 40.059 39.000 -0.240 0.000 1.282 411 F HN 0.594 nan 8.300 nan 0.000 0.460 412 Y N 0.851 121.174 120.300 0.039 0.000 2.377 412 Y HA 0.540 5.094 4.550 0.006 0.000 0.339 412 Y C -0.430 175.447 175.900 -0.037 0.000 1.011 412 Y CA -1.023 57.047 58.100 -0.050 0.000 1.093 412 Y CB 2.026 40.453 38.460 -0.056 0.000 1.201 412 Y HN 0.468 nan 8.280 nan 0.000 0.455 413 K N 3.656 124.090 120.400 0.057 0.000 2.299 413 K HA 0.211 4.535 4.320 0.006 0.000 0.268 413 K C -0.453 176.229 176.600 0.137 0.000 1.075 413 K CA -0.676 55.557 56.287 -0.090 0.000 0.936 413 K CB 0.673 32.871 32.500 -0.503 0.000 1.228 413 K HN 0.527 nan 8.250 nan 0.000 0.454 414 Q N 2.517 122.390 119.800 0.121 0.000 2.432 414 Q HA -0.014 4.329 4.340 0.006 0.000 0.264 414 Q C -1.638 174.550 176.000 0.314 0.000 1.035 414 Q CA -1.234 54.667 55.803 0.165 0.000 0.908 414 Q CB 0.150 28.923 28.738 0.058 0.000 1.280 414 Q HN 0.309 nan 8.270 nan 0.000 0.455 415 P HA -0.269 nan 4.420 nan 0.000 0.219 415 P C 1.356 178.834 177.300 0.297 0.000 1.158 415 P CA 1.868 65.204 63.100 0.393 0.000 0.895 415 P CB -0.015 31.788 31.700 0.170 0.000 0.792 416 M N -2.766 116.834 119.600 -0.000 0.000 2.103 416 M HA -0.244 4.239 4.480 0.006 0.000 0.255 416 M C 2.111 178.403 176.300 -0.013 0.000 1.074 416 M CA 2.075 57.249 55.300 -0.209 0.000 1.090 416 M CB -1.078 31.225 32.600 -0.496 0.000 1.325 416 M HN -0.082 nan 8.290 nan 0.000 0.403 417 F N 0.104 119.985 119.950 -0.115 0.000 2.120 417 F HA -0.303 4.227 4.527 0.006 0.000 0.300 417 F C 1.815 177.494 175.800 -0.202 0.000 1.095 417 F CA 1.703 59.581 58.000 -0.203 0.000 1.249 417 F CB -0.307 38.423 39.000 -0.451 0.000 0.995 417 F HN 0.049 nan 8.300 nan 0.000 0.480 418 Y N -0.796 119.763 120.300 0.433 0.000 2.286 418 Y HA -0.143 4.411 4.550 0.006 0.000 0.293 418 Y C 2.722 178.785 175.900 0.273 0.000 1.124 418 Y CA 1.536 59.845 58.100 0.349 0.000 1.178 418 Y CB -1.061 37.662 38.460 0.440 0.000 1.010 418 Y HN 0.125 nan 8.280 nan 0.000 0.536 419 H N -0.165 119.065 119.070 0.266 0.000 2.390 419 H HA -0.177 4.383 4.556 0.006 0.000 0.298 419 H C 2.169 177.662 175.328 0.274 0.000 1.106 419 H CA 1.845 58.014 56.048 0.202 0.000 1.297 419 H CB -0.272 29.517 29.762 0.045 0.000 1.375 419 H HN 0.345 nan 8.280 nan 0.000 0.509 420 L N -0.185 121.187 121.223 0.248 0.000 2.056 420 L HA -0.083 4.260 4.340 0.006 0.000 0.207 420 L C 2.940 179.830 176.870 0.033 0.000 1.078 420 L CA 1.138 56.081 54.840 0.173 0.000 0.749 420 L CB -0.548 41.617 42.059 0.177 0.000 0.901 420 L HN 0.273 nan 8.230 nan 0.000 0.433 421 G N -1.664 107.044 108.800 -0.153 0.000 2.442 421 G HA2 -0.271 3.692 3.960 0.006 0.000 0.219 421 G HA3 -0.271 3.692 3.960 0.006 0.000 0.219 421 G C 1.380 176.048 174.900 -0.388 0.000 1.141 421 G CA 0.496 45.390 45.100 -0.344 0.000 0.763 421 G HN 0.425 nan 8.290 nan 0.000 0.554 422 H N -0.729 118.209 119.070 -0.220 0.000 2.539 422 H HA -0.049 4.510 4.556 0.006 0.000 0.292 422 H C 1.727 176.711 175.328 -0.573 0.000 1.069 422 H CA 1.248 57.112 56.048 -0.306 0.000 1.244 422 H CB 0.062 29.585 29.762 -0.399 0.000 1.365 422 H HN 0.513 nan 8.280 nan 0.000 0.575 423 F N -0.689 119.107 119.950 -0.256 0.000 2.536 423 F HA -0.044 4.486 4.527 0.006 0.000 0.278 423 F C 2.747 178.070 175.800 -0.795 0.000 0.945 423 F CA 0.530 58.231 58.000 -0.498 0.000 1.244 423 F CB -0.577 37.998 39.000 -0.707 0.000 1.118 423 F HN -0.036 nan 8.300 nan 0.000 0.725 424 S N 0.560 115.837 115.700 -0.706 0.000 2.419 424 S HA -0.247 4.227 4.470 0.006 0.000 0.235 424 S C 1.895 176.242 174.600 -0.422 0.000 1.019 424 S CA 1.572 59.408 58.200 -0.607 0.000 0.982 424 S CB -0.557 62.556 63.200 -0.146 0.000 0.789 424 S HN 0.410 nan 8.310 nan 0.000 0.490 425 K N 0.144 120.133 120.400 -0.685 0.000 2.243 425 K HA 0.136 4.460 4.320 0.006 0.000 0.201 425 K C 0.514 176.562 176.600 -0.920 0.000 1.051 425 K CA 0.845 56.566 56.287 -0.944 0.000 0.970 425 K CB -0.056 31.543 32.500 -1.502 0.000 0.755 425 K HN 0.565 nan 8.250 nan 0.000 0.465 426 F N 0.096 119.883 119.950 -0.272 0.000 2.688 426 F HA 0.333 4.863 4.527 0.005 0.000 0.310 426 F C 0.100 175.848 175.800 -0.087 0.000 1.098 426 F CA -0.576 57.316 58.000 -0.180 0.000 1.228 426 F CB 0.821 39.685 39.000 -0.227 0.000 1.042 426 F HN -0.189 nan 8.300 nan 0.000 0.557 427 I N 3.320 123.893 120.570 0.005 0.000 2.750 427 I HA 0.240 4.413 4.170 0.006 0.000 0.279 427 I C -2.424 173.722 176.117 0.048 0.000 1.206 427 I CA -1.958 59.375 61.300 0.055 0.000 1.101 427 I CB 0.583 38.674 38.000 0.153 0.000 1.431 427 I HN -0.213 nan 8.210 nan 0.000 0.551 428 P HA 0.025 nan 4.420 nan 0.000 0.273 428 P C -0.137 177.135 177.300 -0.045 0.000 1.250 428 P CA -0.253 62.804 63.100 -0.070 0.000 0.793 428 P CB 0.760 32.344 31.700 -0.192 0.000 1.011 429 E N -0.341 119.843 120.200 -0.028 0.000 2.465 429 E HA 0.206 4.560 4.350 0.006 0.000 0.260 429 E C 1.035 177.607 176.600 -0.048 0.000 0.980 429 E CA 0.956 57.335 56.400 -0.035 0.000 0.927 429 E CB -0.740 28.930 29.700 -0.051 0.000 0.934 429 E HN 0.755 nan 8.360 nan 0.000 0.459 430 G N 3.101 111.886 108.800 -0.026 0.000 2.284 430 G HA2 -0.272 3.692 3.960 0.006 0.000 0.216 430 G HA3 -0.272 3.692 3.960 0.006 0.000 0.216 430 G C 0.142 175.032 174.900 -0.016 0.000 1.009 430 G CA -0.000 45.089 45.100 -0.018 0.000 0.625 430 G HN 0.658 nan 8.290 nan 0.000 0.501 431 S N 0.790 116.466 115.700 -0.040 0.000 2.561 431 S HA 0.364 4.837 4.470 0.006 0.000 0.294 431 S C 0.178 174.798 174.600 0.033 0.000 1.294 431 S CA 0.779 58.970 58.200 -0.017 0.000 1.055 431 S CB 1.449 64.649 63.200 0.000 0.000 0.819 431 S HN 0.774 nan 8.310 nan 0.000 0.503 432 Q N 1.489 121.316 119.800 0.045 0.000 2.312 432 Q HA 0.344 4.688 4.340 0.006 0.000 0.263 432 Q C -0.421 175.636 176.000 0.094 0.000 0.995 432 Q CA -0.793 55.053 55.803 0.070 0.000 0.853 432 Q CB 1.014 29.787 28.738 0.058 0.000 1.300 432 Q HN 0.611 nan 8.270 nan 0.000 0.448 433 R N 3.290 123.871 120.500 0.135 0.000 2.316 433 R HA 0.241 4.584 4.340 0.006 0.000 0.314 433 R C -0.307 176.171 176.300 0.298 0.000 1.069 433 R CA -0.061 56.141 56.100 0.169 0.000 0.959 433 R CB 0.230 30.608 30.300 0.130 0.000 0.987 433 R HN 0.568 nan 8.270 nan 0.000 0.446 434 V N 1.632 121.684 119.914 0.231 0.000 3.345 434 V HA 0.762 4.886 4.120 0.006 0.000 0.308 434 V C 0.521 176.826 176.094 0.351 0.000 1.168 434 V CA -0.704 61.756 62.300 0.267 0.000 1.024 434 V CB 1.136 33.030 31.823 0.118 0.000 1.211 434 V HN 0.758 nan 8.190 nan 0.000 0.461 435 G N -0.256 108.744 108.800 0.334 0.000 2.503 435 G HA2 0.545 4.508 3.960 0.006 0.000 0.257 435 G HA3 0.545 4.508 3.960 0.006 0.000 0.257 435 G C -1.126 173.859 174.900 0.142 0.000 1.214 435 G CA -0.277 45.008 45.100 0.309 0.000 0.839 435 G HN 1.130 nan 8.290 nan 0.000 0.559 436 L N 2.330 123.604 121.223 0.084 0.000 2.573 436 L HA 0.377 4.721 4.340 0.006 0.000 0.260 436 L C -0.568 176.323 176.870 0.035 0.000 0.997 436 L CA -0.510 54.364 54.840 0.057 0.000 0.890 436 L CB 1.897 43.984 42.059 0.046 0.000 1.179 436 L HN 0.295 nan 8.230 nan 0.000 0.439 437 V N 4.442 124.381 119.914 0.041 0.000 2.408 437 V HA 0.665 4.788 4.120 0.006 0.000 0.267 437 V C 1.020 177.129 176.094 0.025 0.000 1.047 437 V CA -0.162 62.157 62.300 0.032 0.000 0.937 437 V CB 0.815 32.661 31.823 0.039 0.000 0.999 437 V HN 0.868 nan 8.190 nan 0.000 0.472 438 A N 4.030 126.861 122.820 0.019 0.000 2.425 438 A HA 0.419 4.743 4.320 0.006 0.000 0.249 438 A C 1.383 178.981 177.584 0.022 0.000 1.084 438 A CA 0.329 52.376 52.037 0.017 0.000 0.781 438 A CB 0.488 19.496 19.000 0.014 0.000 1.019 438 A HN 1.153 nan 8.150 nan 0.000 0.490 439 S N 0.748 116.462 115.700 0.023 0.000 2.562 439 S HA 0.187 4.660 4.470 0.006 0.000 0.221 439 S C 0.389 175.007 174.600 0.029 0.000 0.975 439 S CA 0.625 58.845 58.200 0.032 0.000 0.918 439 S CB -0.464 62.761 63.200 0.042 0.000 0.772 439 S HN 1.021 nan 8.310 nan 0.000 0.531 440 Q N -0.767 119.047 119.800 0.024 0.000 2.666 440 Q HA 0.424 4.768 4.340 0.006 0.000 0.276 440 Q C -1.473 174.539 176.000 0.020 0.000 0.952 440 Q CA -1.120 54.696 55.803 0.023 0.000 0.850 440 Q CB 0.518 29.270 28.738 0.023 0.000 1.512 440 Q HN 0.038 nan 8.270 nan 0.000 0.395 441 K N 1.227 121.639 120.400 0.020 0.000 2.527 441 K HA 0.133 4.457 4.320 0.006 0.000 0.278 441 K C -0.704 175.907 176.600 0.018 0.000 0.981 441 K CA 1.269 57.568 56.287 0.021 0.000 1.009 441 K CB 0.261 32.774 32.500 0.022 0.000 0.895 441 K HN 0.811 nan 8.250 nan 0.000 0.493 442 N N 0.130 118.842 118.700 0.019 0.000 3.106 442 N HA 0.217 4.960 4.740 0.006 0.000 0.253 442 N C -1.230 174.291 175.510 0.018 0.000 1.506 442 N CA -0.825 52.234 53.050 0.015 0.000 0.876 442 N CB 1.027 39.522 38.487 0.013 0.000 1.452 442 N HN 0.287 nan 8.380 nan 0.000 0.542 443 D N -0.355 120.052 120.400 0.012 0.000 2.363 443 D HA 0.250 4.893 4.640 0.006 0.000 0.214 443 D C 0.091 176.402 176.300 0.018 0.000 1.093 443 D CA 0.125 54.132 54.000 0.011 0.000 0.837 443 D CB 0.345 41.142 40.800 -0.005 0.000 0.948 443 D HN 0.348 nan 8.370 nan 0.000 0.507 444 L N 0.296 121.534 121.223 0.025 0.000 2.472 444 L HA 0.364 4.708 4.340 0.006 0.000 0.256 444 L C 0.272 177.183 176.870 0.068 0.000 1.111 444 L CA -0.488 54.375 54.840 0.038 0.000 0.800 444 L CB 0.836 42.912 42.059 0.027 0.000 1.286 444 L HN -0.265 nan 8.230 nan 0.000 0.479 445 D N 0.479 120.935 120.400 0.094 0.000 2.757 445 D HA 0.612 5.255 4.640 0.006 0.000 0.249 445 D C -1.085 175.277 176.300 0.104 0.000 1.168 445 D CA -0.107 53.965 54.000 0.119 0.000 0.870 445 D CB 2.384 43.307 40.800 0.205 0.000 1.411 445 D HN 0.572 nan 8.370 nan 0.000 0.525 446 A N 1.480 124.346 122.820 0.077 0.000 2.475 446 A HA 0.739 5.062 4.320 0.006 0.000 0.301 446 A C -1.411 176.209 177.584 0.059 0.000 1.059 446 A CA -0.772 51.312 52.037 0.079 0.000 0.710 446 A CB 2.213 21.251 19.000 0.063 0.000 1.288 446 A HN 0.327 nan 8.150 nan 0.000 0.408 447 V N 0.753 120.718 119.914 0.084 0.000 2.851 447 V HA 0.806 4.930 4.120 0.006 0.000 0.307 447 V C -0.494 175.646 176.094 0.078 0.000 1.129 447 V CA 0.193 62.528 62.300 0.058 0.000 0.932 447 V CB 1.849 33.711 31.823 0.064 0.000 1.024 447 V HN 2.005 nan 8.190 nan 0.000 0.426 448 A N 6.111 128.965 122.820 0.057 0.000 2.340 448 A HA 1.014 5.337 4.320 0.006 0.000 0.331 448 A C -1.452 176.164 177.584 0.054 0.000 1.140 448 A CA -0.553 51.519 52.037 0.057 0.000 0.801 448 A CB 1.497 20.539 19.000 0.070 0.000 1.234 448 A HN 0.931 nan 8.150 nan 0.000 0.469 449 L N 0.801 122.038 121.223 0.024 0.000 2.469 449 L HA 0.566 4.909 4.340 0.006 0.000 0.256 449 L C -0.449 176.417 176.870 -0.008 0.000 1.006 449 L CA -0.017 54.846 54.840 0.038 0.000 0.832 449 L CB 2.222 44.321 42.059 0.067 0.000 1.421 449 L HN 0.743 nan 8.230 nan 0.000 0.410 450 M N 1.767 121.377 119.600 0.017 0.000 2.078 450 M HA 0.312 4.795 4.480 0.006 0.000 0.320 450 M C -0.722 175.608 176.300 0.050 0.000 0.969 450 M CA -0.712 54.591 55.300 0.005 0.000 0.929 450 M CB 1.045 33.648 32.600 0.005 0.000 1.504 450 M HN 0.563 nan 8.290 nan 0.000 0.419 451 H N 5.414 124.457 119.070 -0.045 0.000 3.038 451 H HA 0.024 4.583 4.556 0.006 0.000 0.338 451 H C -1.875 173.441 175.328 -0.020 0.000 1.041 451 H CA -0.174 55.863 56.048 -0.019 0.000 1.394 451 H CB 0.924 30.669 29.762 -0.029 0.000 1.357 451 H HN 0.407 nan 8.280 nan 0.000 0.600 452 P HA -0.158 nan 4.420 nan 0.000 0.220 452 P C 0.685 178.099 177.300 0.191 0.000 1.144 452 P CA 1.677 64.855 63.100 0.129 0.000 0.800 452 P CB 0.075 31.801 31.700 0.044 0.000 0.772 453 D N -1.832 118.778 120.400 0.350 0.000 2.352 453 D HA 0.067 4.711 4.640 0.006 0.000 0.232 453 D C 1.437 177.701 176.300 -0.059 0.000 1.055 453 D CA 0.570 54.597 54.000 0.045 0.000 0.891 453 D CB -0.986 39.740 40.800 -0.123 0.000 0.897 453 D HN 0.231 nan 8.370 nan 0.000 0.529 454 G N -0.302 108.496 108.800 -0.002 0.000 2.217 454 G HA2 -0.293 3.671 3.960 0.006 0.000 0.246 454 G HA3 -0.293 3.671 3.960 0.006 0.000 0.246 454 G C 0.490 175.337 174.900 -0.088 0.000 0.990 454 G CA 0.470 45.543 45.100 -0.045 0.000 0.627 454 G HN 0.876 nan 8.290 nan 0.000 0.522 455 S N 0.038 115.655 115.700 -0.139 0.000 2.686 455 S HA 0.869 5.342 4.470 0.006 0.000 0.270 455 S C 0.325 174.795 174.600 -0.217 0.000 1.194 455 S CA 0.629 58.715 58.200 -0.190 0.000 0.990 455 S CB 2.020 65.098 63.200 -0.203 0.000 1.029 455 S HN 1.945 nan 8.310 nan 0.000 0.560 456 A N -0.129 122.406 122.820 -0.475 0.000 2.340 456 A HA 0.797 5.120 4.320 0.006 0.000 0.331 456 A C -0.674 176.556 177.584 -0.591 0.000 1.140 456 A CA -0.778 50.831 52.037 -0.713 0.000 0.801 456 A CB 1.410 19.499 19.000 -1.519 0.000 1.234 456 A HN 1.668 nan 8.150 nan 0.000 0.469 457 V N 2.496 122.184 119.914 -0.377 0.000 2.668 457 V HA 0.676 4.799 4.120 0.006 0.000 0.304 457 V C -1.576 174.465 176.094 -0.088 0.000 1.071 457 V CA -0.337 61.849 62.300 -0.189 0.000 0.894 457 V CB 1.745 33.546 31.823 -0.038 0.000 1.008 457 V HN 0.858 nan 8.190 nan 0.000 0.425 458 V N 6.749 126.678 119.914 0.026 0.000 2.577 458 V HA 0.580 4.703 4.120 0.006 0.000 0.303 458 V C -0.401 175.788 176.094 0.158 0.000 1.042 458 V CA -0.618 61.760 62.300 0.130 0.000 0.872 458 V CB 2.024 33.990 31.823 0.238 0.000 0.998 458 V HN 0.746 nan 8.190 nan 0.000 0.423 459 V N 5.157 125.127 119.914 0.094 0.000 2.398 459 V HA 0.583 4.706 4.120 0.006 0.000 0.286 459 V C -0.249 175.905 176.094 0.100 0.000 1.026 459 V CA -0.614 61.698 62.300 0.020 0.000 0.868 459 V CB 1.734 33.438 31.823 -0.199 0.000 0.982 459 V HN 0.609 nan 8.190 nan 0.000 0.443 460 V N 5.932 125.914 119.914 0.113 0.000 2.444 460 V HA 0.517 4.641 4.120 0.006 0.000 0.294 460 V C -0.556 175.566 176.094 0.047 0.000 1.022 460 V CA -0.576 61.794 62.300 0.116 0.000 0.850 460 V CB 1.676 33.617 31.823 0.197 0.000 0.992 460 V HN 0.700 nan 8.190 nan 0.000 0.426 461 L N 4.511 125.778 121.223 0.073 0.000 2.325 461 L HA 0.647 4.990 4.340 0.006 0.000 0.281 461 L C -0.369 176.549 176.870 0.079 0.000 1.004 461 L CA -0.028 54.865 54.840 0.088 0.000 0.823 461 L CB 1.520 43.681 42.059 0.170 0.000 1.236 461 L HN 0.632 nan 8.230 nan 0.000 0.415 462 N N 4.238 122.975 118.700 0.061 0.000 2.527 462 N HA 0.295 5.038 4.740 0.006 0.000 0.236 462 N C 0.355 175.906 175.510 0.070 0.000 0.999 462 N CA -0.087 52.978 53.050 0.026 0.000 0.935 462 N CB 0.778 39.239 38.487 -0.043 0.000 1.132 462 N HN 0.689 nan 8.380 nan 0.000 0.511 463 R N 0.676 121.210 120.500 0.056 0.000 2.310 463 R HA 0.072 4.416 4.340 0.006 0.000 0.202 463 R C 0.522 176.778 176.300 -0.073 0.000 0.933 463 R CA 0.071 56.223 56.100 0.088 0.000 1.054 463 R CB 0.189 30.527 30.300 0.063 0.000 0.985 463 R HN 0.590 nan 8.270 nan 0.000 0.489 464 S N -1.233 114.335 115.700 -0.220 0.000 2.758 464 S HA 0.144 4.618 4.470 0.006 0.000 0.292 464 S C 1.172 175.307 174.600 -0.777 0.000 1.131 464 S CA -0.370 57.619 58.200 -0.351 0.000 0.997 464 S CB 1.736 64.835 63.200 -0.168 0.000 1.111 464 S HN 0.065 nan 8.310 nan 0.000 0.552 465 S N -0.076 115.269 115.700 -0.591 0.000 2.425 465 S HA 0.069 4.543 4.470 0.006 0.000 0.225 465 S C 0.480 174.957 174.600 -0.205 0.000 1.024 465 S CA -0.027 57.889 58.200 -0.474 0.000 0.951 465 S CB -0.491 62.693 63.200 -0.027 0.000 0.796 465 S HN 0.632 nan 8.310 nan 0.000 0.498 466 K N 2.759 123.071 120.400 -0.147 0.000 2.298 466 K HA 0.304 4.628 4.320 0.006 0.000 0.280 466 K C -0.800 175.756 176.600 -0.073 0.000 1.032 466 K CA -0.503 55.740 56.287 -0.074 0.000 0.958 466 K CB 0.192 32.664 32.500 -0.048 0.000 0.978 466 K HN 0.434 nan 8.250 nan 0.000 0.472 467 D N 0.906 121.282 120.400 -0.039 0.000 2.455 467 D HA 0.100 4.743 4.640 0.006 0.000 0.241 467 D C -0.345 175.940 176.300 -0.025 0.000 1.138 467 D CA 0.059 54.042 54.000 -0.027 0.000 0.877 467 D CB 0.697 41.495 40.800 -0.003 0.000 1.187 467 D HN 0.166 nan 8.370 nan 0.000 0.451 468 V N 5.221 125.119 119.914 -0.026 0.000 2.325 468 V HA 0.239 4.362 4.120 0.006 0.000 0.280 468 V C -2.140 173.948 176.094 -0.011 0.000 1.016 468 V CA -1.595 60.693 62.300 -0.020 0.000 0.818 468 V CB 1.669 33.476 31.823 -0.026 0.000 1.019 468 V HN 0.453 nan 8.190 nan 0.000 0.434 469 P HA 0.177 nan 4.420 nan 0.000 0.265 469 P C -0.862 176.429 177.300 -0.015 0.000 1.193 469 P CA 0.003 63.103 63.100 0.000 0.000 0.765 469 P CB 1.468 33.173 31.700 0.008 0.000 0.823 470 L N 3.235 124.437 121.223 -0.036 0.000 2.472 470 L HA 0.563 4.907 4.340 0.006 0.000 0.260 470 L C -1.027 175.760 176.870 -0.137 0.000 0.963 470 L CA -0.001 54.795 54.840 -0.073 0.000 0.829 470 L CB 2.417 44.435 42.059 -0.068 0.000 1.348 470 L HN 0.270 nan 8.230 nan 0.000 0.408 471 T N 5.488 119.936 114.554 -0.178 0.000 2.881 471 T HA 0.619 4.973 4.350 0.006 0.000 0.291 471 T C -0.597 173.972 174.700 -0.219 0.000 0.990 471 T CA -0.078 61.868 62.100 -0.256 0.000 0.976 471 T CB 0.949 69.527 68.868 -0.484 0.000 0.970 471 T HN 0.405 nan 8.240 nan 0.000 0.438 472 I N 3.218 123.628 120.570 -0.267 0.000 2.330 472 I HA 0.391 4.565 4.170 0.006 0.000 0.289 472 I C 0.282 176.234 176.117 -0.275 0.000 1.001 472 I CA -0.605 60.551 61.300 -0.239 0.000 1.193 472 I CB 1.138 38.961 38.000 -0.294 0.000 1.345 472 I HN 0.283 nan 8.210 nan 0.000 0.461 473 K N 5.695 125.966 120.400 -0.216 0.000 2.213 473 K HA 0.263 4.587 4.320 0.006 0.000 0.270 473 K C -1.189 175.233 176.600 -0.297 0.000 1.002 473 K CA -0.478 55.560 56.287 -0.415 0.000 0.868 473 K CB 1.095 33.370 32.500 -0.376 0.000 1.093 473 K HN 0.477 nan 8.250 nan 0.000 0.454 474 D N 6.415 126.598 120.400 -0.361 0.000 2.471 474 D HA 0.212 4.855 4.640 0.006 0.000 0.245 474 D C -1.779 174.407 176.300 -0.190 0.000 1.116 474 D CA -2.378 51.550 54.000 -0.121 0.000 0.853 474 D CB 1.907 42.767 40.800 0.101 0.000 1.123 474 D HN 0.314 nan 8.370 nan 0.000 0.540 475 P HA -0.020 nan 4.420 nan 0.000 0.230 475 P C 0.819 178.081 177.300 -0.063 0.000 1.158 475 P CA 0.386 63.413 63.100 -0.122 0.000 0.769 475 P CB 0.314 31.978 31.700 -0.060 0.000 0.807 476 A N -0.821 121.990 122.820 -0.015 0.000 2.178 476 A HA 0.148 4.472 4.320 0.006 0.000 0.211 476 A C 1.953 179.544 177.584 0.012 0.000 1.157 476 A CA 0.936 52.984 52.037 0.019 0.000 0.780 476 A CB -0.390 18.647 19.000 0.062 0.000 0.828 476 A HN 0.120 nan 8.150 nan 0.000 0.476 477 V N -3.020 116.873 119.914 -0.036 0.000 3.165 477 V HA 0.497 4.620 4.120 0.006 0.000 0.231 477 V C 1.204 177.221 176.094 -0.129 0.000 1.365 477 V CA 0.755 63.024 62.300 -0.052 0.000 1.286 477 V CB 0.139 31.942 31.823 -0.034 0.000 1.081 477 V HN 0.902 nan 8.190 nan 0.000 0.477 478 G N 0.324 108.963 108.800 -0.269 0.000 2.217 478 G HA2 0.088 4.052 3.960 0.006 0.000 0.126 478 G HA3 0.088 4.052 3.960 0.006 0.000 0.126 478 G C -1.590 172.917 174.900 -0.655 0.000 1.293 478 G CA -0.413 44.489 45.100 -0.330 0.000 1.219 478 G HN 0.083 nan 8.290 nan 0.000 0.477 479 F N 0.039 119.884 119.950 -0.175 0.000 2.551 479 F HA 0.770 5.301 4.527 0.006 0.000 0.316 479 F C -0.180 175.445 175.800 -0.291 0.000 1.089 479 F CA -0.697 57.164 58.000 -0.231 0.000 0.915 479 F CB 2.199 41.113 39.000 -0.142 0.000 1.186 479 F HN 0.295 nan 8.300 nan 0.000 0.456 480 L N 3.637 124.700 121.223 -0.266 0.000 2.264 480 L HA 0.342 4.686 4.340 0.006 0.000 0.287 480 L C -0.144 176.550 176.870 -0.293 0.000 1.039 480 L CA -0.306 54.289 54.840 -0.408 0.000 0.829 480 L CB 0.569 42.128 42.059 -0.833 0.000 1.211 480 L HN 0.420 nan 8.230 nan 0.000 0.427 481 E N 2.246 122.366 120.200 -0.133 0.000 2.259 481 E HA 0.395 4.749 4.350 0.006 0.000 0.281 481 E C -0.055 176.487 176.600 -0.097 0.000 1.037 481 E CA 0.005 56.355 56.400 -0.084 0.000 0.854 481 E CB 1.670 31.374 29.700 0.007 0.000 1.051 481 E HN 0.486 nan 8.360 nan 0.000 0.409 482 T N 1.900 116.392 114.554 -0.103 0.000 2.739 482 T HA 0.579 4.933 4.350 0.006 0.000 0.303 482 T C -1.413 173.300 174.700 0.022 0.000 1.389 482 T CA -0.554 61.528 62.100 -0.030 0.000 1.001 482 T CB 0.920 69.707 68.868 -0.135 0.000 1.436 482 T HN 0.245 nan 8.240 nan 0.000 0.500 483 I N 1.654 122.285 120.570 0.102 0.000 2.646 483 I HA 0.568 4.742 4.170 0.006 0.000 0.299 483 I C -0.156 176.024 176.117 0.106 0.000 1.036 483 I CA -0.406 60.942 61.300 0.080 0.000 1.074 483 I CB 2.254 40.303 38.000 0.082 0.000 1.258 483 I HN 0.490 nan 8.210 nan 0.000 0.430 484 S N 6.326 122.029 115.700 0.004 0.000 2.474 484 S HA 0.544 5.018 4.470 0.006 0.000 0.320 484 S C -2.570 171.971 174.600 -0.099 0.000 1.067 484 S CA -1.593 56.528 58.200 -0.131 0.000 1.127 484 S CB 0.369 63.496 63.200 -0.121 0.000 0.971 484 S HN 0.183 nan 8.310 nan 0.000 0.472 485 P HA 0.191 nan 4.420 nan 0.000 0.271 485 P C 0.364 177.639 177.300 -0.042 0.000 1.216 485 P CA -0.053 63.037 63.100 -0.017 0.000 0.776 485 P CB 0.362 32.089 31.700 0.045 0.000 0.881 486 G N 2.182 110.949 108.800 -0.055 0.000 2.484 486 G HA2 0.017 3.980 3.960 0.006 0.000 0.235 486 G HA3 0.017 3.980 3.960 0.006 0.000 0.235 486 G C -0.636 174.234 174.900 -0.050 0.000 1.282 486 G CA -0.212 44.802 45.100 -0.144 0.000 0.857 486 G HN 0.573 nan 8.290 nan 0.000 0.571 487 Y N -0.408 119.941 120.300 0.081 0.000 3.078 487 Y HA -0.235 4.318 4.550 0.006 0.000 0.202 487 Y C 1.248 177.223 175.900 0.126 0.000 1.322 487 Y CA 0.666 58.857 58.100 0.153 0.000 1.118 487 Y CB -1.825 36.597 38.460 -0.062 0.000 1.343 487 Y HN 0.914 nan 8.280 nan 0.000 0.499 488 S N -0.145 115.737 115.700 0.304 0.000 2.632 488 S HA 0.892 5.366 4.470 0.006 0.000 0.289 488 S C -0.825 173.926 174.600 0.251 0.000 1.115 488 S CA -0.837 57.534 58.200 0.284 0.000 0.889 488 S CB 3.137 66.379 63.200 0.069 0.000 1.116 488 S HN 0.485 nan 8.310 nan 0.000 0.486 489 I N 0.900 121.565 120.570 0.158 0.000 2.533 489 I HA 0.552 4.726 4.170 0.006 0.000 0.290 489 I C -1.397 174.659 176.117 -0.102 0.000 1.056 489 I CA -0.499 60.707 61.300 -0.158 0.000 1.057 489 I CB 1.653 39.322 38.000 -0.552 0.000 1.240 489 I HN 0.902 nan 8.210 nan 0.000 0.423 490 H N 4.439 123.363 119.070 -0.243 0.000 2.572 490 H HA 0.473 5.032 4.556 0.006 0.000 0.359 490 H C -0.995 174.219 175.328 -0.190 0.000 1.134 490 H CA -1.035 54.881 56.048 -0.221 0.000 1.187 490 H CB 2.165 31.713 29.762 -0.356 0.000 1.597 490 H HN 0.447 nan 8.280 nan 0.000 0.524 491 T N 3.093 117.650 114.554 0.006 0.000 2.779 491 T HA 0.276 4.630 4.350 0.006 0.000 0.280 491 T C -0.880 173.661 174.700 -0.265 0.000 0.987 491 T CA -0.609 61.434 62.100 -0.095 0.000 0.966 491 T CB 0.543 69.362 68.868 -0.081 0.000 0.933 491 T HN 0.343 nan 8.240 nan 0.000 0.442 492 Y N 2.323 122.662 120.300 0.064 0.000 2.364 492 Y HA 0.656 5.210 4.550 0.006 0.000 0.340 492 Y C -0.199 175.783 175.900 0.137 0.000 0.975 492 Y CA -1.121 57.071 58.100 0.153 0.000 1.089 492 Y CB 1.366 39.943 38.460 0.194 0.000 1.192 492 Y HN 0.396 nan 8.280 nan 0.000 0.454 493 L N 3.722 125.157 121.223 0.353 0.000 2.408 493 L HA 0.598 4.942 4.340 0.006 0.000 0.268 493 L C -1.401 175.708 176.870 0.399 0.000 0.986 493 L CA -0.714 54.220 54.840 0.157 0.000 0.820 493 L CB 1.794 43.862 42.059 0.016 0.000 1.303 493 L HN 0.763 nan 8.230 nan 0.000 0.411 494 W N 0.592 121.982 121.300 0.150 0.000 3.213 494 W HA 0.559 5.222 4.660 0.006 0.000 0.318 494 W C -1.090 175.561 176.519 0.220 0.000 1.248 494 W CA -0.823 56.619 57.345 0.161 0.000 1.187 494 W CB 0.314 29.872 29.460 0.164 0.000 1.403 494 W HN 0.261 nan 8.180 nan 0.000 0.556 495 H N 1.756 120.969 119.070 0.239 0.000 2.690 495 H HA 0.367 4.926 4.556 0.005 0.000 0.365 495 H C 0.963 176.464 175.328 0.289 0.000 1.142 495 H CA -0.189 55.943 56.048 0.140 0.000 1.417 495 H CB 1.279 31.101 29.762 0.099 0.000 1.446 495 H HN 0.517 nan 8.280 nan 0.000 0.599 496 R N 0.746 121.389 120.500 0.238 0.000 2.437 496 R HA 0.203 4.546 4.340 0.006 0.000 0.257 496 R C 0.253 176.640 176.300 0.146 0.000 0.927 496 R CA 0.037 56.282 56.100 0.241 0.000 1.078 496 R CB 1.120 31.504 30.300 0.141 0.000 1.161 496 R HN 0.563 nan 8.270 nan 0.000 0.529 497 Q N 0.000 119.869 119.800 0.115 0.000 2.315 497 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 497 Q CA 0.000 55.843 55.803 0.067 0.000 1.022 497 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481