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 2zya_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKQQIGVVGM AVMGRNLALN IESRGYTVSI FNRSREKTEE VIAENPGKKL DATA SEQUENCE VPYYTVKEFV ESLETPRRIL LMVKAGAGTD AAIDSLKPYL DKGDIIIDGG DATA SEQUENCE NTFFQDTIRR NRELSAEGFN FIGTGVSGGE EGALKGPSIM PGGQKEAYEL DATA SEQUENCE VAPILTKIAA VAEDGEPCVT YIGADGAGHY VKMVHNGIEY GDMQLIAEAY DATA SEQUENCE SLLKGGLNLT NEELAQTFTE WNNGELSSYL IDITKDIFTK KDEDGNYLVD DATA SEQUENCE VILDEAANKG TGKWTSQSAL DLGEPLSLIT ESVFARYISS LKDQRVAASK DATA SEQUENCE VLSGPQAQPA GDKAEFIEKV RRALYLGKIV SYAQGFSQLR AASEEYNWDL DATA SEQUENCE NYGEIAKIFR AGCIIRAQFL QKITDACAEN PQIANLLLAP YFKQIADDYQ DATA SEQUENCE QALRDVVAYA VQNGIPVPTF SAAVAYYDSY RAAVLPANLI QAQRDYFGAH DATA SEQUENCE TYKRIDKEGV FHTEWL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.211 63.200 0.019 0.000 0.593 3 K N 0.827 121.229 120.400 0.003 0.000 2.208 3 K HA 0.614 4.934 4.320 -0.000 0.000 0.247 3 K C -0.995 175.599 176.600 -0.009 0.000 0.953 3 K CA -0.863 55.414 56.287 -0.018 0.000 0.837 3 K CB 1.228 33.703 32.500 -0.040 0.000 1.131 3 K HN 0.360 nan 8.250 nan 0.000 0.431 4 Q N 1.172 120.954 119.800 -0.031 0.000 2.260 4 Q HA 0.085 4.425 4.340 -0.000 0.000 0.242 4 Q C 0.451 176.437 176.000 -0.023 0.000 0.932 4 Q CA 0.161 55.960 55.803 -0.007 0.000 0.891 4 Q CB 1.231 29.963 28.738 -0.010 0.000 1.222 4 Q HN 0.396 nan 8.270 nan 0.000 0.453 5 Q N 0.602 120.423 119.800 0.035 0.000 2.245 5 Q HA 0.245 4.585 4.340 -0.000 0.000 0.201 5 Q C -0.019 175.952 176.000 -0.049 0.000 0.955 5 Q CA 0.690 56.515 55.803 0.037 0.000 0.870 5 Q CB 0.416 29.273 28.738 0.198 0.000 0.945 5 Q HN 0.576 nan 8.270 nan 0.000 0.461 6 I N -1.575 118.952 120.570 -0.070 0.000 2.984 6 I HA 0.602 4.771 4.170 -0.000 0.000 0.303 6 I C -1.529 174.539 176.117 -0.081 0.000 1.381 6 I CA -1.020 60.215 61.300 -0.109 0.000 0.988 6 I CB 2.014 39.912 38.000 -0.169 0.000 1.307 6 I HN 0.016 nan 8.210 nan 0.000 0.460 7 G N 4.375 113.140 108.800 -0.059 0.000 2.563 7 G HA2 0.674 4.634 3.960 -0.000 0.000 0.302 7 G HA3 0.674 4.634 3.960 -0.000 0.000 0.302 7 G C -1.971 173.110 174.900 0.301 0.000 1.301 7 G CA -0.512 44.635 45.100 0.078 0.000 0.965 7 G HN 0.430 nan 8.290 nan 0.000 0.480 8 V N 0.984 121.125 119.914 0.378 0.000 2.540 8 V HA 0.502 4.621 4.120 -0.000 0.000 0.302 8 V C -0.332 175.836 176.094 0.124 0.000 1.035 8 V CA -0.728 61.699 62.300 0.212 0.000 0.873 8 V CB 1.744 33.635 31.823 0.113 0.000 0.992 8 V HN 0.567 nan 8.190 nan 0.000 0.428 9 V N 3.318 123.245 119.914 0.021 0.000 2.398 9 V HA 0.912 5.032 4.120 -0.000 0.000 0.286 9 V C 0.517 176.599 176.094 -0.019 0.000 1.026 9 V CA 0.273 62.521 62.300 -0.086 0.000 0.868 9 V CB 1.116 32.877 31.823 -0.104 0.000 0.982 9 V HN 1.297 nan 8.190 nan 0.000 0.443 10 G N 5.724 114.496 108.800 -0.046 0.000 3.199 10 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.680 10 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.680 10 G C -0.528 174.348 174.900 -0.041 0.000 1.197 10 G CA -0.767 44.310 45.100 -0.037 0.000 1.143 10 G HN 0.405 nan 8.290 nan 0.000 0.492 11 M N 1.541 121.100 119.600 -0.068 0.000 2.655 11 M HA 0.387 4.867 4.480 -0.000 0.000 0.311 11 M C 1.329 177.606 176.300 -0.038 0.000 1.229 11 M CA 0.016 55.284 55.300 -0.053 0.000 0.972 11 M CB -0.041 32.511 32.600 -0.080 0.000 1.366 11 M HN 0.929 nan 8.290 nan 0.000 0.500 12 A N 0.407 123.210 122.820 -0.028 0.000 2.262 12 A HA 0.363 4.683 4.320 -0.000 0.000 0.273 12 A C 1.636 179.214 177.584 -0.010 0.000 1.202 12 A CA -0.293 51.733 52.037 -0.018 0.000 0.811 12 A CB 0.236 19.229 19.000 -0.012 0.000 1.159 12 A HN 0.202 nan 8.150 nan 0.000 0.505 13 V N -0.031 119.880 119.914 -0.006 0.000 2.250 13 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 13 V C 2.489 178.584 176.094 0.002 0.000 1.060 13 V CA 2.487 64.786 62.300 -0.001 0.000 1.030 13 V CB -1.043 30.780 31.823 0.001 0.000 0.643 13 V HN 0.776 nan 8.190 nan 0.000 0.445 14 M N 0.486 120.088 119.600 0.003 0.000 2.132 14 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 14 M C 2.389 178.693 176.300 0.007 0.000 1.065 14 M CA 2.110 57.412 55.300 0.005 0.000 1.122 14 M CB -1.730 30.875 32.600 0.007 0.000 1.365 14 M HN 0.494 nan 8.290 nan 0.000 0.411 15 G N 0.067 108.871 108.800 0.007 0.000 2.402 15 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 15 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 15 G C 1.801 176.707 174.900 0.010 0.000 1.162 15 G CA 0.676 45.782 45.100 0.010 0.000 0.777 15 G HN 0.419 nan 8.290 nan 0.000 0.539 16 R N 0.334 120.836 120.500 0.003 0.000 2.081 16 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 16 R C 2.204 178.512 176.300 0.013 0.000 1.131 16 R CA 1.581 57.685 56.100 0.006 0.000 0.960 16 R CB -0.315 29.985 30.300 -0.001 0.000 0.856 16 R HN 0.221 nan 8.270 nan 0.000 0.436 17 N N 0.644 119.350 118.700 0.010 0.000 2.244 17 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 17 N C 1.493 177.011 175.510 0.015 0.000 1.016 17 N CA 0.643 53.701 53.050 0.012 0.000 0.866 17 N CB -0.181 38.312 38.487 0.008 0.000 0.980 17 N HN 0.144 nan 8.380 nan 0.000 0.430 18 L N 0.721 121.952 121.223 0.013 0.000 2.093 18 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 18 L C 2.002 178.883 176.870 0.019 0.000 1.085 18 L CA 1.083 55.931 54.840 0.012 0.000 0.755 18 L CB -0.871 41.193 42.059 0.009 0.000 0.904 18 L HN 0.104 nan 8.230 nan 0.000 0.435 19 A N -0.824 122.012 122.820 0.027 0.000 1.902 19 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 19 A C 2.237 179.848 177.584 0.044 0.000 1.181 19 A CA 1.809 53.870 52.037 0.040 0.000 0.623 19 A CB -0.757 18.273 19.000 0.050 0.000 0.818 19 A HN 0.443 nan 8.150 nan 0.000 0.443 20 L N -0.234 121.011 121.223 0.037 0.000 2.093 20 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 20 L C 2.566 179.462 176.870 0.044 0.000 1.085 20 L CA 1.203 56.067 54.840 0.039 0.000 0.755 20 L CB -0.596 41.481 42.059 0.030 0.000 0.904 20 L HN 0.467 nan 8.230 nan 0.000 0.435 21 N N 1.251 119.973 118.700 0.037 0.000 2.043 21 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 21 N C 1.855 177.403 175.510 0.062 0.000 1.037 21 N CA 1.764 54.838 53.050 0.040 0.000 0.851 21 N CB -0.174 38.328 38.487 0.025 0.000 1.027 21 N HN 0.250 nan 8.380 nan 0.000 0.422 22 I N 1.051 121.655 120.570 0.056 0.000 2.163 22 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 22 I C 2.490 178.719 176.117 0.186 0.000 1.085 22 I CA 1.201 62.552 61.300 0.086 0.000 1.347 22 I CB -0.363 37.636 38.000 -0.001 0.000 1.044 22 I HN 0.280 nan 8.210 nan 0.000 0.408 23 E N 1.061 121.337 120.200 0.127 0.000 2.110 23 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 23 E C 2.224 178.882 176.600 0.096 0.000 0.988 23 E CA 1.809 58.282 56.400 0.123 0.000 0.804 23 E CB -0.056 29.694 29.700 0.082 0.000 0.745 23 E HN 0.536 nan 8.360 nan 0.000 0.458 24 S N 0.027 115.774 115.700 0.080 0.000 2.507 24 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 24 S C 1.474 176.107 174.600 0.054 0.000 0.988 24 S CA 0.276 58.509 58.200 0.055 0.000 0.944 24 S CB -0.077 63.150 63.200 0.045 0.000 0.762 24 S HN 0.108 nan 8.310 nan 0.000 0.526 25 R N 0.732 121.291 120.500 0.100 0.000 2.359 25 R HA 0.352 4.692 4.340 -0.000 0.000 0.231 25 R C 1.597 177.859 176.300 -0.063 0.000 0.913 25 R CA 0.495 56.641 56.100 0.075 0.000 1.075 25 R CB -0.680 29.738 30.300 0.197 0.000 1.087 25 R HN 0.630 nan 8.270 nan 0.000 0.515 26 G N -0.023 108.743 108.800 -0.057 0.000 2.201 26 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.212 26 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.212 26 G C -0.199 174.575 174.900 -0.210 0.000 0.994 26 G CA -0.473 44.526 45.100 -0.168 0.000 0.644 26 G HN 0.275 nan 8.290 nan 0.000 0.508 27 Y N 1.444 121.747 120.300 0.004 0.000 2.301 27 Y HA 0.551 5.100 4.550 -0.000 0.000 0.328 27 Y C 1.156 177.063 175.900 0.012 0.000 1.242 27 Y CA 0.429 58.531 58.100 0.004 0.000 1.323 27 Y CB 1.085 39.547 38.460 0.003 0.000 1.266 27 Y HN 0.006 nan 8.280 nan 0.000 0.527 28 T N 2.768 117.430 114.554 0.179 0.000 2.767 28 T HA 0.474 4.824 4.350 -0.000 0.000 0.284 28 T C -0.794 173.981 174.700 0.125 0.000 0.973 28 T CA -0.644 61.526 62.100 0.117 0.000 0.996 28 T CB 0.451 69.368 68.868 0.081 0.000 0.927 28 T HN 0.295 nan 8.240 nan 0.000 0.456 29 V N 3.490 123.473 119.914 0.115 0.000 2.384 29 V HA 0.365 4.484 4.120 -0.000 0.000 0.287 29 V C 0.355 176.537 176.094 0.146 0.000 1.020 29 V CA -0.871 61.493 62.300 0.107 0.000 0.850 29 V CB 1.693 33.576 31.823 0.101 0.000 0.987 29 V HN 0.928 nan 8.190 nan 0.000 0.436 30 S N 6.011 121.796 115.700 0.141 0.000 2.548 30 S HA 0.649 5.119 4.470 -0.000 0.000 0.277 30 S C -0.101 174.768 174.600 0.447 0.000 1.315 30 S CA -0.293 58.079 58.200 0.287 0.000 1.050 30 S CB 0.490 63.666 63.200 -0.039 0.000 0.918 30 S HN 0.698 nan 8.310 nan 0.000 0.497 31 I N 0.069 120.936 120.570 0.496 0.000 2.689 31 I HA 0.871 5.041 4.170 -0.000 0.000 0.299 31 I C -1.209 175.081 176.117 0.289 0.000 1.059 31 I CA -1.080 60.428 61.300 0.346 0.000 1.055 31 I CB 1.942 40.019 38.000 0.129 0.000 1.243 31 I HN 0.543 nan 8.210 nan 0.000 0.425 32 F N 3.933 123.775 119.950 -0.181 0.000 2.608 32 F HA 0.636 5.162 4.527 -0.000 0.000 0.309 32 F C -1.586 174.040 175.800 -0.289 0.000 1.103 32 F CA -0.372 57.418 58.000 -0.350 0.000 0.954 32 F CB 2.116 40.659 39.000 -0.761 0.000 1.267 32 F HN 0.745 nan 8.300 nan 0.000 0.444 33 N N 3.024 120.962 118.700 -1.269 0.000 2.264 33 N HA 0.341 5.081 4.740 -0.000 0.000 0.288 33 N C 0.240 175.094 175.510 -1.094 0.000 1.094 33 N CA -0.693 51.853 53.050 -0.839 0.000 0.817 33 N CB 2.178 40.414 38.487 -0.418 0.000 1.604 33 N HN 0.733 nan 8.380 nan 0.000 0.473 34 R N 1.046 121.241 120.500 -0.508 0.000 2.105 34 R HA 0.085 4.425 4.340 -0.000 0.000 0.239 34 R C -0.314 175.876 176.300 -0.182 0.000 1.135 34 R CA 1.077 57.046 56.100 -0.218 0.000 0.967 34 R CB -0.094 30.208 30.300 0.004 0.000 0.861 34 R HN 0.444 nan 8.270 nan 0.000 0.442 35 S N 0.769 116.363 115.700 -0.176 0.000 2.409 35 S HA 0.212 4.682 4.470 -0.000 0.000 0.308 35 S C 0.362 174.881 174.600 -0.135 0.000 1.080 35 S CA -0.466 57.671 58.200 -0.106 0.000 1.081 35 S CB 1.248 64.406 63.200 -0.070 0.000 1.009 35 S HN 0.301 nan 8.310 nan 0.000 0.502 36 R N 1.981 122.432 120.500 -0.080 0.000 2.148 36 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 36 R C 1.365 177.707 176.300 0.071 0.000 1.103 36 R CA 1.061 57.164 56.100 0.005 0.000 0.983 36 R CB -0.027 30.376 30.300 0.171 0.000 0.874 36 R HN 0.503 nan 8.270 nan 0.000 0.451 37 E N 0.575 120.786 120.200 0.019 0.000 2.204 37 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 37 E C 1.564 178.169 176.600 0.007 0.000 0.990 37 E CA 0.942 57.352 56.400 0.016 0.000 0.821 37 E CB 0.106 29.803 29.700 -0.004 0.000 0.750 37 E HN 0.103 nan 8.360 nan 0.000 0.477 38 K N -0.042 120.343 120.400 -0.025 0.000 2.097 38 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 38 K C 2.112 178.691 176.600 -0.035 0.000 1.050 38 K CA 1.239 57.504 56.287 -0.037 0.000 0.938 38 K CB -0.524 31.937 32.500 -0.064 0.000 0.718 38 K HN 0.170 nan 8.250 nan 0.000 0.442 39 T N 1.802 116.325 114.554 -0.052 0.000 2.746 39 T HA -0.114 4.235 4.350 -0.000 0.000 0.267 39 T C 1.747 176.481 174.700 0.057 0.000 1.039 39 T CA 1.310 63.377 62.100 -0.055 0.000 1.142 39 T CB -0.099 68.648 68.868 -0.201 0.000 0.866 39 T HN 0.366 nan 8.240 nan 0.000 0.444 40 E N 0.849 121.129 120.200 0.134 0.000 2.085 40 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 40 E C 2.324 178.953 176.600 0.048 0.000 0.994 40 E CA 1.065 57.533 56.400 0.113 0.000 0.801 40 E CB -0.129 29.609 29.700 0.063 0.000 0.743 40 E HN 0.592 nan 8.360 nan 0.000 0.453 41 E N 0.837 121.052 120.200 0.026 0.000 2.077 41 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 41 E C 2.155 178.761 176.600 0.010 0.000 0.989 41 E CA 1.133 57.539 56.400 0.011 0.000 0.800 41 E CB 0.152 29.853 29.700 0.001 0.000 0.746 41 E HN 0.059 nan 8.360 nan 0.000 0.452 42 V N 1.659 121.578 119.914 0.008 0.000 2.332 42 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 42 V C 2.442 178.546 176.094 0.017 0.000 1.055 42 V CA 1.273 63.578 62.300 0.008 0.000 1.038 42 V CB -0.404 31.419 31.823 0.000 0.000 0.651 42 V HN 0.379 nan 8.190 nan 0.000 0.450 43 I N 0.580 121.165 120.570 0.026 0.000 2.202 43 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 43 I C 2.703 178.833 176.117 0.021 0.000 1.091 43 I CA 1.928 63.246 61.300 0.029 0.000 1.368 43 I CB -1.647 36.381 38.000 0.047 0.000 1.058 43 I HN 0.313 nan 8.210 nan 0.000 0.410 44 A N 0.442 123.273 122.820 0.019 0.000 1.972 44 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 44 A C 2.123 179.712 177.584 0.009 0.000 1.169 44 A CA 1.405 53.449 52.037 0.011 0.000 0.635 44 A CB -0.569 18.435 19.000 0.008 0.000 0.810 44 A HN 0.522 nan 8.150 nan 0.000 0.446 45 E N -0.726 119.480 120.200 0.010 0.000 2.435 45 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 45 E C -0.337 176.270 176.600 0.010 0.000 1.029 45 E CA 0.398 56.803 56.400 0.008 0.000 0.865 45 E CB -0.020 29.684 29.700 0.007 0.000 0.833 45 E HN 0.671 nan 8.360 nan 0.000 0.510 46 N N 1.425 120.133 118.700 0.013 0.000 2.679 46 N HA 0.116 4.856 4.740 -0.000 0.000 0.302 46 N C -2.703 172.816 175.510 0.016 0.000 1.941 46 N CA -0.999 52.061 53.050 0.015 0.000 0.875 46 N CB 1.001 39.499 38.487 0.019 0.000 1.278 46 N HN 0.021 nan 8.380 nan 0.000 0.490 47 P HA 0.102 nan 4.420 nan 0.000 0.266 47 P C 0.981 178.289 177.300 0.013 0.000 1.195 47 P CA 0.817 63.924 63.100 0.012 0.000 0.768 47 P CB 0.964 32.669 31.700 0.009 0.000 0.838 48 G N 1.010 109.818 108.800 0.013 0.000 2.179 48 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 48 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 48 G C 0.205 175.115 174.900 0.017 0.000 0.977 48 G CA 0.024 45.132 45.100 0.013 0.000 0.641 48 G HN 0.558 nan 8.290 nan 0.000 0.533 49 K N 0.450 120.863 120.400 0.021 0.000 2.098 49 K HA 0.425 4.745 4.320 -0.000 0.000 0.261 49 K C 0.684 177.304 176.600 0.032 0.000 0.987 49 K CA -0.660 55.643 56.287 0.027 0.000 0.916 49 K CB 0.843 33.361 32.500 0.030 0.000 1.039 49 K HN 0.237 nan 8.250 nan 0.000 0.455 50 K N 2.259 122.683 120.400 0.039 0.000 3.000 50 K HA 0.177 4.497 4.320 -0.000 0.000 0.265 50 K C -0.212 176.426 176.600 0.063 0.000 1.260 50 K CA 0.059 56.374 56.287 0.047 0.000 1.209 50 K CB -0.392 32.137 32.500 0.049 0.000 1.484 50 K HN 0.194 nan 8.250 nan 0.000 0.283 51 L N 0.943 122.200 121.223 0.057 0.000 2.329 51 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 51 L C -0.408 176.500 176.870 0.063 0.000 1.014 51 L CA -1.211 53.670 54.840 0.069 0.000 0.814 51 L CB 1.853 43.945 42.059 0.055 0.000 1.257 51 L HN -0.076 nan 8.230 nan 0.000 0.424 52 V N 3.698 123.669 119.914 0.095 0.000 2.407 52 V HA 0.384 4.503 4.120 -0.000 0.000 0.291 52 V C -2.212 173.876 176.094 -0.009 0.000 1.018 52 V CA -1.526 60.801 62.300 0.046 0.000 0.842 52 V CB 1.728 33.631 31.823 0.134 0.000 0.996 52 V HN 0.585 nan 8.190 nan 0.000 0.426 53 P HA 0.415 nan 4.420 nan 0.000 0.284 53 P C -1.650 175.280 177.300 -0.617 0.000 1.253 53 P CA -0.277 62.681 63.100 -0.237 0.000 0.800 53 P CB 1.049 32.685 31.700 -0.106 0.000 0.961 54 Y N 1.054 121.228 120.300 -0.210 0.000 2.499 54 Y HA 0.349 4.898 4.550 -0.000 0.000 0.347 54 Y C 0.542 176.232 175.900 -0.350 0.000 0.987 54 Y CA -0.262 57.801 58.100 -0.063 0.000 1.044 54 Y CB 2.055 40.665 38.460 0.250 0.000 1.245 54 Y HN 0.292 nan 8.280 nan 0.000 0.461 55 Y N -0.403 120.128 120.300 0.384 0.000 2.527 55 Y HA 0.234 4.784 4.550 -0.000 0.000 0.247 55 Y C 0.372 176.520 175.900 0.413 0.000 1.138 55 Y CA -0.273 58.014 58.100 0.313 0.000 1.228 55 Y CB 1.036 39.571 38.460 0.124 0.000 1.252 55 Y HN 0.527 nan 8.280 nan 0.000 0.531 56 T N -4.519 110.301 114.554 0.443 0.000 2.900 56 T HA 0.367 4.717 4.350 -0.000 0.000 0.303 56 T C 0.603 175.182 174.700 -0.202 0.000 1.142 56 T CA -0.585 61.628 62.100 0.188 0.000 1.007 56 T CB 1.609 70.531 68.868 0.090 0.000 1.156 56 T HN -0.240 nan 8.240 nan 0.000 0.490 57 V N 1.751 121.343 119.914 -0.536 0.000 2.407 57 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 57 V C 2.849 178.595 176.094 -0.580 0.000 1.055 57 V CA 2.167 64.037 62.300 -0.716 0.000 1.049 57 V CB -0.794 30.725 31.823 -0.507 0.000 0.662 57 V HN 1.047 nan 8.190 nan 0.000 0.455 58 K N 0.398 120.326 120.400 -0.787 0.000 2.044 58 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 58 K C 2.084 178.388 176.600 -0.495 0.000 1.049 58 K CA 2.246 57.871 56.287 -1.102 0.000 0.927 58 K CB -0.164 31.874 32.500 -0.770 0.000 0.713 58 K HN 0.581 nan 8.250 nan 0.000 0.443 59 E N -0.400 119.660 120.200 -0.233 0.000 2.106 59 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 59 E C 1.806 178.217 176.600 -0.315 0.000 0.984 59 E CA 1.074 57.419 56.400 -0.091 0.000 0.806 59 E CB -0.201 29.620 29.700 0.202 0.000 0.750 59 E HN 0.338 nan 8.360 nan 0.000 0.458 60 F N 1.256 120.931 119.950 -0.458 0.000 2.069 60 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 60 F C 2.044 177.511 175.800 -0.555 0.000 1.113 60 F CA 1.226 58.818 58.000 -0.679 0.000 1.214 60 F CB -0.310 38.455 39.000 -0.392 0.000 0.978 60 F HN -0.205 nan 8.300 nan 0.000 0.474 61 V N 0.659 120.339 119.914 -0.390 0.000 2.343 61 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 61 V C 2.205 178.079 176.094 -0.368 0.000 1.051 61 V CA 2.301 64.376 62.300 -0.375 0.000 1.036 61 V CB -0.781 30.954 31.823 -0.147 0.000 0.654 61 V HN 0.368 nan 8.190 nan 0.000 0.451 62 E N 0.603 120.611 120.200 -0.320 0.000 2.265 62 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 62 E C 2.202 178.650 176.600 -0.254 0.000 0.996 62 E CA 1.316 57.583 56.400 -0.221 0.000 0.832 62 E CB -0.163 29.444 29.700 -0.154 0.000 0.756 62 E HN 0.757 nan 8.360 nan 0.000 0.491 63 S N 0.107 115.546 115.700 -0.435 0.000 2.561 63 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 63 S C 0.805 175.216 174.600 -0.315 0.000 0.977 63 S CA -0.028 57.933 58.200 -0.399 0.000 0.926 63 S CB -0.115 62.621 63.200 -0.772 0.000 0.769 63 S HN 0.037 nan 8.310 nan 0.000 0.533 64 L N 1.974 122.989 121.223 -0.346 0.000 2.312 64 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 64 L C 0.298 177.077 176.870 -0.151 0.000 1.070 64 L CA -0.793 53.888 54.840 -0.264 0.000 0.805 64 L CB 0.975 42.833 42.059 -0.335 0.000 1.174 64 L HN 0.096 nan 8.230 nan 0.000 0.434 65 E N 2.051 122.190 120.200 -0.102 0.000 2.392 65 E HA 0.103 4.452 4.350 -0.000 0.000 0.264 65 E C -0.421 176.146 176.600 -0.055 0.000 1.024 65 E CA -0.142 56.222 56.400 -0.060 0.000 0.903 65 E CB 0.850 30.531 29.700 -0.032 0.000 0.963 65 E HN 0.566 nan 8.360 nan 0.000 0.432 66 T N 2.542 117.075 114.554 -0.036 0.000 2.907 66 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 66 T C -2.122 172.571 174.700 -0.012 0.000 1.004 66 T CA -1.735 60.352 62.100 -0.023 0.000 1.063 66 T CB 1.145 70.006 68.868 -0.011 0.000 0.992 66 T HN 0.362 nan 8.240 nan 0.000 0.483 67 P HA 0.231 nan 4.420 nan 0.000 0.271 67 P C -0.379 176.912 177.300 -0.015 0.000 1.216 67 P CA -0.576 62.526 63.100 0.004 0.000 0.771 67 P CB 0.738 32.447 31.700 0.015 0.000 0.864 68 R N 2.573 123.061 120.500 -0.019 0.000 2.543 68 R HA 0.292 4.632 4.340 -0.000 0.000 0.277 68 R C 0.545 176.816 176.300 -0.048 0.000 1.074 68 R CA -0.189 55.878 56.100 -0.056 0.000 1.076 68 R CB 0.682 30.936 30.300 -0.076 0.000 0.993 68 R HN 0.449 nan 8.270 nan 0.000 0.459 69 R N 2.661 123.118 120.500 -0.073 0.000 2.393 69 R HA 0.435 4.775 4.340 -0.000 0.000 0.315 69 R C -0.640 175.627 176.300 -0.054 0.000 0.952 69 R CA -0.422 55.640 56.100 -0.063 0.000 0.842 69 R CB 1.263 31.511 30.300 -0.087 0.000 1.163 69 R HN 0.471 nan 8.270 nan 0.000 0.450 70 I N 4.341 124.904 120.570 -0.011 0.000 2.447 70 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 70 I C -1.075 175.078 176.117 0.060 0.000 1.023 70 I CA -1.035 60.304 61.300 0.065 0.000 1.083 70 I CB 1.992 40.059 38.000 0.111 0.000 1.245 70 I HN 0.308 nan 8.210 nan 0.000 0.434 71 L N 8.218 129.485 121.223 0.074 0.000 2.272 71 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 71 L C -1.232 175.681 176.870 0.072 0.000 1.032 71 L CA -0.077 54.790 54.840 0.046 0.000 0.810 71 L CB 1.036 43.106 42.059 0.019 0.000 1.205 71 L HN 0.422 nan 8.230 nan 0.000 0.422 72 L N 6.583 127.847 121.223 0.068 0.000 2.295 72 L HA 0.550 4.889 4.340 -0.000 0.000 0.285 72 L C -0.023 176.885 176.870 0.064 0.000 1.035 72 L CA -0.052 54.830 54.840 0.069 0.000 0.806 72 L CB 1.483 43.594 42.059 0.087 0.000 1.214 72 L HN 0.570 nan 8.230 nan 0.000 0.426 73 M N 4.446 124.075 119.600 0.048 0.000 2.720 73 M HA 0.348 4.828 4.480 -0.000 0.000 0.250 73 M C -1.048 175.272 176.300 0.034 0.000 1.280 73 M CA -0.063 55.263 55.300 0.043 0.000 0.579 73 M CB 0.904 33.522 32.600 0.030 0.000 1.469 73 M HN 0.195 nan 8.290 nan 0.000 0.416 74 V N 0.740 120.680 119.914 0.044 0.000 2.881 74 V HA 0.434 4.554 4.120 -0.000 0.000 0.316 74 V C 0.530 176.649 176.094 0.042 0.000 1.070 74 V CA -1.167 61.155 62.300 0.036 0.000 0.976 74 V CB 2.756 34.605 31.823 0.043 0.000 1.038 74 V HN 0.559 nan 8.190 nan 0.000 0.446 75 K N 2.140 122.561 120.400 0.034 0.000 2.524 75 K HA 0.255 4.575 4.320 -0.000 0.000 0.279 75 K C 0.263 176.898 176.600 0.059 0.000 0.993 75 K CA 0.151 56.461 56.287 0.038 0.000 1.030 75 K CB 0.405 32.922 32.500 0.028 0.000 0.891 75 K HN 0.903 nan 8.250 nan 0.000 0.488 76 A N 3.430 126.297 122.820 0.078 0.000 2.483 76 A HA 0.463 4.782 4.320 -0.000 0.000 0.238 76 A C 0.867 178.524 177.584 0.121 0.000 1.070 76 A CA 0.626 52.737 52.037 0.124 0.000 0.770 76 A CB -0.357 18.772 19.000 0.215 0.000 1.008 76 A HN 1.153 nan 8.150 nan 0.000 0.497 77 G N 0.261 109.131 108.800 0.118 0.000 2.516 77 G HA2 0.221 4.181 3.960 -0.000 0.000 0.220 77 G HA3 0.221 4.181 3.960 -0.000 0.000 0.220 77 G C 1.200 176.136 174.900 0.061 0.000 1.165 77 G CA 0.996 46.151 45.100 0.092 0.000 1.013 77 G HN 2.001 nan 8.290 nan 0.000 0.590 78 A N -0.242 122.607 122.820 0.048 0.000 1.917 78 A HA 0.164 4.484 4.320 -0.000 0.000 0.219 78 A C 2.991 180.598 177.584 0.038 0.000 1.182 78 A CA 3.410 55.469 52.037 0.036 0.000 0.633 78 A CB -1.305 17.713 19.000 0.030 0.000 0.819 78 A HN 2.352 nan 8.150 nan 0.000 0.448 79 G N -1.335 107.490 108.800 0.042 0.000 2.446 79 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 79 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 79 G C 1.592 176.521 174.900 0.048 0.000 1.168 79 G CA 1.691 46.816 45.100 0.042 0.000 0.771 79 G HN 0.444 nan 8.290 nan 0.000 0.551 80 T N 0.928 115.515 114.554 0.054 0.000 2.777 80 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 80 T C 2.033 176.764 174.700 0.052 0.000 1.040 80 T CA 1.386 63.523 62.100 0.061 0.000 1.141 80 T CB -0.266 68.646 68.868 0.075 0.000 0.868 80 T HN 0.188 nan 8.240 nan 0.000 0.444 81 D N 1.573 121.999 120.400 0.042 0.000 2.117 81 D HA -0.032 4.607 4.640 -0.000 0.000 0.197 81 D C 2.339 178.652 176.300 0.023 0.000 0.987 81 D CA 1.283 55.299 54.000 0.027 0.000 0.829 81 D CB -0.461 40.351 40.800 0.020 0.000 0.961 81 D HN 0.411 nan 8.370 nan 0.000 0.460 82 A N 0.970 123.807 122.820 0.029 0.000 1.930 82 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 82 A C 2.303 179.906 177.584 0.032 0.000 1.175 82 A CA 1.986 54.040 52.037 0.029 0.000 0.627 82 A CB -0.588 18.433 19.000 0.035 0.000 0.815 82 A HN 0.232 nan 8.150 nan 0.000 0.443 83 A N 0.129 122.973 122.820 0.040 0.000 1.877 83 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 83 A C 2.105 179.701 177.584 0.020 0.000 1.186 83 A CA 1.513 53.573 52.037 0.038 0.000 0.620 83 A CB -0.596 18.433 19.000 0.049 0.000 0.822 83 A HN 0.485 nan 8.150 nan 0.000 0.443 84 I N -0.164 120.420 120.570 0.024 0.000 2.226 84 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 84 I C 1.708 177.814 176.117 -0.018 0.000 1.100 84 I CA 1.380 62.684 61.300 0.007 0.000 1.374 84 I CB -0.472 37.540 38.000 0.020 0.000 1.057 84 I HN 0.227 nan 8.210 nan 0.000 0.413 85 D N 0.494 120.889 120.400 -0.009 0.000 2.178 85 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 85 D C 2.383 178.671 176.300 -0.020 0.000 0.980 85 D CA 1.708 55.698 54.000 -0.016 0.000 0.842 85 D CB -0.107 40.689 40.800 -0.007 0.000 0.948 85 D HN 0.357 nan 8.370 nan 0.000 0.472 86 S N -0.200 115.500 115.700 0.000 0.000 2.428 86 S HA -0.040 4.429 4.470 -0.000 0.000 0.230 86 S C 2.139 176.774 174.600 0.059 0.000 1.014 86 S CA 0.358 58.572 58.200 0.024 0.000 0.957 86 S CB -0.413 62.808 63.200 0.034 0.000 0.784 86 S HN 0.223 nan 8.310 nan 0.000 0.499 87 L N 0.708 121.947 121.223 0.028 0.000 2.131 87 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 87 L C 2.730 179.600 176.870 -0.001 0.000 1.087 87 L CA 1.014 55.894 54.840 0.067 0.000 0.767 87 L CB -0.441 41.616 42.059 -0.004 0.000 0.917 87 L HN 0.248 nan 8.230 nan 0.000 0.441 88 K N 0.271 120.614 120.400 -0.094 0.000 2.034 88 K HA -0.212 4.108 4.320 -0.000 0.000 0.214 88 K C -0.345 176.203 176.600 -0.086 0.000 1.051 88 K CA 1.886 58.099 56.287 -0.123 0.000 0.931 88 K CB -1.308 31.159 32.500 -0.055 0.000 0.715 88 K HN 0.261 nan 8.250 nan 0.000 0.446 89 P HA -0.159 nan 4.420 nan 0.000 0.221 89 P C 0.491 177.608 177.300 -0.305 0.000 1.145 89 P CA 1.307 64.218 63.100 -0.316 0.000 0.795 89 P CB 0.010 31.365 31.700 -0.574 0.000 0.775 90 Y N -1.875 118.421 120.300 -0.006 0.000 2.462 90 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 90 Y C 1.368 177.263 175.900 -0.007 0.000 1.146 90 Y CA -0.324 57.768 58.100 -0.014 0.000 1.283 90 Y CB -0.589 37.846 38.460 -0.041 0.000 1.090 90 Y HN -0.131 nan 8.280 nan 0.000 0.526 91 L N 0.455 121.746 121.223 0.113 0.000 2.456 91 L HA 0.257 4.597 4.340 -0.000 0.000 0.257 91 L C -0.232 176.771 176.870 0.221 0.000 1.162 91 L CA -0.468 54.437 54.840 0.108 0.000 0.808 91 L CB 0.586 42.595 42.059 -0.083 0.000 1.136 91 L HN 0.004 nan 8.230 nan 0.000 0.466 92 D N 0.094 120.636 120.400 0.237 0.000 2.350 92 D HA 0.287 4.927 4.640 -0.000 0.000 0.238 92 D C -0.540 175.925 176.300 0.273 0.000 0.989 92 D CA -0.669 53.454 54.000 0.205 0.000 0.921 92 D CB 1.653 42.516 40.800 0.105 0.000 1.297 92 D HN 0.270 nan 8.370 nan 0.000 0.490 93 K N -0.041 120.414 120.400 0.093 0.000 2.489 93 K HA 0.298 4.618 4.320 -0.000 0.000 0.278 93 K C 1.045 177.684 176.600 0.064 0.000 1.000 93 K CA 0.855 57.127 56.287 -0.026 0.000 1.012 93 K CB 0.389 32.826 32.500 -0.106 0.000 0.903 93 K HN 0.705 nan 8.250 nan 0.000 0.485 94 G N 2.238 111.094 108.800 0.094 0.000 2.234 94 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 94 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 94 G C -0.133 174.858 174.900 0.151 0.000 0.997 94 G CA -0.157 45.002 45.100 0.098 0.000 0.623 94 G HN 0.642 nan 8.290 nan 0.000 0.514 95 D N 0.348 120.894 120.400 0.243 0.000 2.368 95 D HA 0.501 5.141 4.640 -0.000 0.000 0.240 95 D C 0.788 177.186 176.300 0.163 0.000 1.169 95 D CA 0.410 54.508 54.000 0.164 0.000 0.906 95 D CB 0.760 41.633 40.800 0.122 0.000 1.187 95 D HN 0.364 nan 8.370 nan 0.000 0.435 96 I N 1.575 122.187 120.570 0.070 0.000 2.418 96 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 96 I C -0.252 175.884 176.117 0.033 0.000 1.008 96 I CA -0.519 60.818 61.300 0.061 0.000 1.104 96 I CB 1.369 39.376 38.000 0.013 0.000 1.264 96 I HN 0.037 nan 8.210 nan 0.000 0.438 97 I N 7.196 127.812 120.570 0.077 0.000 2.362 97 I HA 0.446 4.615 4.170 -0.000 0.000 0.289 97 I C -0.517 175.606 176.117 0.010 0.000 0.994 97 I CA -0.450 60.904 61.300 0.090 0.000 1.158 97 I CB 1.578 39.699 38.000 0.200 0.000 1.315 97 I HN 0.389 nan 8.210 nan 0.000 0.451 98 I N 5.177 125.725 120.570 -0.036 0.000 2.382 98 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 98 I C -0.624 175.464 176.117 -0.047 0.000 1.002 98 I CA -0.501 60.710 61.300 -0.147 0.000 1.135 98 I CB 1.553 39.490 38.000 -0.104 0.000 1.288 98 I HN 0.474 nan 8.210 nan 0.000 0.448 99 D N 5.251 125.618 120.400 -0.057 0.000 2.380 99 D HA 0.276 4.916 4.640 -0.000 0.000 0.230 99 D C 0.888 177.283 176.300 0.157 0.000 1.154 99 D CA -0.258 53.834 54.000 0.153 0.000 0.859 99 D CB 1.530 42.563 40.800 0.388 0.000 1.045 99 D HN 0.685 nan 8.370 nan 0.000 0.495 100 G N 2.600 111.474 108.800 0.125 0.000 3.233 100 G HA2 0.303 4.263 3.960 -0.000 0.000 0.234 100 G HA3 0.303 4.263 3.960 -0.000 0.000 0.234 100 G C 0.763 175.760 174.900 0.161 0.000 1.137 100 G CA -0.090 45.087 45.100 0.128 0.000 0.763 100 G HN 0.550 nan 8.290 nan 0.000 0.549 101 G N 0.104 109.000 108.800 0.159 0.000 2.616 101 G HA2 0.247 4.207 3.960 -0.000 0.000 0.268 101 G HA3 0.247 4.207 3.960 -0.000 0.000 0.268 101 G C 0.058 174.995 174.900 0.062 0.000 1.213 101 G CA -0.678 44.480 45.100 0.096 0.000 0.926 101 G HN 0.118 nan 8.290 nan 0.000 0.523 102 N N 0.769 119.500 118.700 0.052 0.000 3.245 102 N HA 0.106 4.845 4.740 -0.000 0.000 0.296 102 N C 0.053 175.637 175.510 0.123 0.000 1.254 102 N CA 0.210 53.305 53.050 0.075 0.000 1.190 102 N CB 0.349 38.885 38.487 0.081 0.000 1.460 102 N HN 0.228 nan 8.380 nan 0.000 0.538 103 T N 1.090 115.523 114.554 -0.201 0.000 2.897 103 T HA 0.117 4.466 4.350 -0.000 0.000 0.294 103 T C 0.337 175.002 174.700 -0.060 0.000 1.004 103 T CA -0.328 61.687 62.100 -0.141 0.000 1.106 103 T CB 0.553 69.194 68.868 -0.379 0.000 0.949 103 T HN 0.171 nan 8.240 nan 0.000 0.520 104 F N 4.837 124.642 119.950 -0.241 0.000 2.572 104 F HA 0.179 4.705 4.527 -0.000 0.000 0.370 104 F C 1.078 176.738 175.800 -0.233 0.000 1.103 104 F CA -1.596 56.052 58.000 -0.587 0.000 1.286 104 F CB 0.100 38.486 39.000 -1.024 0.000 1.105 104 F HN 0.653 nan 8.300 nan 0.000 0.583 105 F N 2.241 121.630 119.950 -0.935 0.000 2.269 105 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 105 F C 1.720 177.248 175.800 -0.453 0.000 1.082 105 F CA 1.046 58.761 58.000 -0.475 0.000 1.360 105 F CB -0.855 37.993 39.000 -0.254 0.000 1.041 105 F HN 0.486 nan 8.300 nan 0.000 0.512 106 Q N 0.963 119.730 119.800 -1.721 0.000 2.224 106 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 106 Q C 1.504 177.271 176.000 -0.388 0.000 0.970 106 Q CA 1.494 56.695 55.803 -1.003 0.000 0.865 106 Q CB -0.500 27.742 28.738 -0.827 0.000 0.922 106 Q HN 0.509 nan 8.270 nan 0.000 0.445 107 D N -0.020 120.225 120.400 -0.259 0.000 2.117 107 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 107 D C 1.784 178.055 176.300 -0.047 0.000 0.982 107 D CA 1.354 55.303 54.000 -0.085 0.000 0.828 107 D CB -0.222 40.568 40.800 -0.015 0.000 0.967 107 D HN 0.162 nan 8.370 nan 0.000 0.464 108 T N 0.831 115.395 114.554 0.016 0.000 2.777 108 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 108 T C 2.179 176.946 174.700 0.111 0.000 1.040 108 T CA 0.476 62.682 62.100 0.178 0.000 1.141 108 T CB -0.188 68.933 68.868 0.420 0.000 0.868 108 T HN 0.150 nan 8.240 nan 0.000 0.444 109 I N 0.692 121.291 120.570 0.049 0.000 2.163 109 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 109 I C 2.817 178.939 176.117 0.009 0.000 1.085 109 I CA 1.400 62.739 61.300 0.065 0.000 1.347 109 I CB -0.319 37.695 38.000 0.023 0.000 1.044 109 I HN 0.135 nan 8.210 nan 0.000 0.408 110 R N 1.014 121.488 120.500 -0.043 0.000 2.066 110 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 110 R C 2.547 178.795 176.300 -0.087 0.000 1.131 110 R CA 1.590 57.658 56.100 -0.053 0.000 0.955 110 R CB -0.229 30.035 30.300 -0.060 0.000 0.851 110 R HN 0.199 nan 8.270 nan 0.000 0.432 111 R N 0.437 120.850 120.500 -0.145 0.000 2.096 111 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 111 R C 2.137 178.179 176.300 -0.430 0.000 1.127 111 R CA 1.858 57.780 56.100 -0.297 0.000 0.968 111 R CB -0.517 29.541 30.300 -0.404 0.000 0.861 111 R HN 0.371 nan 8.270 nan 0.000 0.440 112 N N 0.690 119.198 118.700 -0.320 0.000 2.104 112 N HA -0.246 4.494 4.740 -0.000 0.000 0.190 112 N C 1.950 177.446 175.510 -0.025 0.000 1.024 112 N CA 1.295 54.269 53.050 -0.127 0.000 0.853 112 N CB -0.120 38.493 38.487 0.210 0.000 1.008 112 N HN 0.286 nan 8.380 nan 0.000 0.424 113 R N 0.804 121.296 120.500 -0.014 0.000 2.075 113 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 113 R C 1.825 178.117 176.300 -0.013 0.000 1.126 113 R CA 1.279 57.385 56.100 0.009 0.000 0.963 113 R CB -0.014 30.294 30.300 0.013 0.000 0.858 113 R HN 0.370 nan 8.270 nan 0.000 0.435 114 E N 0.509 120.682 120.200 -0.045 0.000 2.031 114 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 114 E C 2.122 178.719 176.600 -0.005 0.000 0.994 114 E CA 1.441 57.821 56.400 -0.033 0.000 0.800 114 E CB -0.126 29.544 29.700 -0.049 0.000 0.752 114 E HN 0.320 nan 8.360 nan 0.000 0.447 115 L N 0.777 121.987 121.223 -0.023 0.000 2.093 115 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 115 L C 2.491 179.450 176.870 0.149 0.000 1.085 115 L CA 0.725 55.640 54.840 0.125 0.000 0.755 115 L CB -0.233 41.856 42.059 0.051 0.000 0.904 115 L HN 0.058 nan 8.230 nan 0.000 0.435 116 S N -0.001 115.750 115.700 0.085 0.000 2.383 116 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 116 S C 2.167 176.766 174.600 -0.001 0.000 1.026 116 S CA 1.086 59.331 58.200 0.075 0.000 0.981 116 S CB -0.189 63.064 63.200 0.089 0.000 0.818 116 S HN 0.486 nan 8.310 nan 0.000 0.472 117 A N 1.396 124.209 122.820 -0.011 0.000 2.015 117 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 117 A C 1.753 179.281 177.584 -0.092 0.000 1.163 117 A CA 0.939 52.952 52.037 -0.040 0.000 0.646 117 A CB -0.332 18.653 19.000 -0.025 0.000 0.806 117 A HN 0.523 nan 8.150 nan 0.000 0.448 118 E N -1.390 118.737 120.200 -0.122 0.000 2.502 118 E HA 0.257 4.607 4.350 -0.000 0.000 0.194 118 E C 1.037 177.281 176.600 -0.593 0.000 1.062 118 E CA 0.281 56.524 56.400 -0.262 0.000 0.867 118 E CB -0.067 29.556 29.700 -0.129 0.000 0.888 118 E HN 0.715 nan 8.360 nan 0.000 0.510 119 G N 0.673 109.214 108.800 -0.431 0.000 2.144 119 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 119 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 119 G C -0.083 174.561 174.900 -0.427 0.000 0.988 119 G CA -0.377 44.462 45.100 -0.435 0.000 0.659 119 G HN 0.207 nan 8.290 nan 0.000 0.522 120 F N 0.583 120.556 119.950 0.038 0.000 2.483 120 F HA 0.560 5.087 4.527 -0.000 0.000 0.329 120 F C 0.631 176.485 175.800 0.090 0.000 1.064 120 F CA -1.321 56.716 58.000 0.060 0.000 0.986 120 F CB 1.070 40.114 39.000 0.074 0.000 1.218 120 F HN -0.160 nan 8.300 nan 0.000 0.484 121 N N 1.694 120.577 118.700 0.306 0.000 2.455 121 N HA 0.276 5.016 4.740 -0.000 0.000 0.280 121 N C -1.500 174.176 175.510 0.277 0.000 1.055 121 N CA -0.125 53.055 53.050 0.217 0.000 0.961 121 N CB 1.631 40.193 38.487 0.125 0.000 1.121 121 N HN 0.448 nan 8.380 nan 0.000 0.476 122 F N 3.347 123.357 119.950 0.100 0.000 2.540 122 F HA 0.562 5.089 4.527 -0.000 0.000 0.317 122 F C -1.285 174.557 175.800 0.070 0.000 1.104 122 F CA -0.934 57.117 58.000 0.084 0.000 0.913 122 F CB 1.092 40.150 39.000 0.096 0.000 1.170 122 F HN 0.199 nan 8.300 nan 0.000 0.450 123 I N 4.312 124.296 120.570 -0.977 0.000 2.499 123 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 123 I C -0.087 175.330 176.117 -1.166 0.000 1.048 123 I CA -0.581 60.264 61.300 -0.759 0.000 1.062 123 I CB 1.405 39.211 38.000 -0.324 0.000 1.238 123 I HN 0.775 nan 8.210 nan 0.000 0.426 124 G N 3.462 111.765 108.800 -0.829 0.000 2.347 124 G HA2 0.508 4.468 3.960 -0.000 0.000 0.314 124 G HA3 0.508 4.468 3.960 -0.000 0.000 0.314 124 G C -0.549 173.883 174.900 -0.781 0.000 1.126 124 G CA -0.241 44.489 45.100 -0.616 0.000 0.929 124 G HN 0.501 nan 8.290 nan 0.000 0.441 125 T N 1.122 115.295 114.554 -0.635 0.000 2.886 125 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 125 T C 0.599 175.210 174.700 -0.148 0.000 1.012 125 T CA -0.055 61.812 62.100 -0.389 0.000 0.982 125 T CB 1.280 70.044 68.868 -0.173 0.000 1.018 125 T HN 0.690 nan 8.240 nan 0.000 0.451 126 G N 1.846 110.606 108.800 -0.066 0.000 2.476 126 G HA2 0.566 4.526 3.960 -0.000 0.000 0.269 126 G HA3 0.566 4.526 3.960 -0.000 0.000 0.269 126 G C -1.009 173.910 174.900 0.031 0.000 1.195 126 G CA -0.342 44.812 45.100 0.091 0.000 0.843 126 G HN 0.773 nan 8.290 nan 0.000 0.545 127 V N 0.573 120.504 119.914 0.029 0.000 2.524 127 V HA 0.571 4.691 4.120 -0.000 0.000 0.297 127 V C -0.147 175.917 176.094 -0.050 0.000 1.035 127 V CA -0.761 61.536 62.300 -0.006 0.000 0.867 127 V CB 1.507 33.335 31.823 0.007 0.000 1.004 127 V HN 0.817 nan 8.190 nan 0.000 0.426 128 S N 2.757 118.395 115.700 -0.103 0.000 2.521 128 S HA 0.844 5.314 4.470 -0.000 0.000 0.295 128 S C 0.498 175.010 174.600 -0.147 0.000 1.098 128 S CA 0.490 58.567 58.200 -0.205 0.000 0.999 128 S CB 1.714 64.586 63.200 -0.547 0.000 1.034 128 S HN 1.454 nan 8.310 nan 0.000 0.483 129 G N 1.914 110.641 108.800 -0.123 0.000 4.106 129 G HA2 0.391 4.351 3.960 -0.000 0.000 0.220 129 G HA3 0.391 4.351 3.960 -0.000 0.000 0.220 129 G C 0.860 175.699 174.900 -0.101 0.000 0.853 129 G CA 0.352 45.378 45.100 -0.124 0.000 0.920 129 G HN 1.783 nan 8.290 nan 0.000 0.715 130 G N 0.511 109.283 108.800 -0.046 0.000 2.697 130 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.240 130 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.240 130 G C 0.704 175.597 174.900 -0.011 0.000 1.346 130 G CA 0.922 46.016 45.100 -0.010 0.000 0.887 130 G HN 1.004 nan 8.290 nan 0.000 0.569 131 E N -0.460 119.745 120.200 0.008 0.000 2.051 131 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 131 E C 2.170 178.771 176.600 0.003 0.000 0.991 131 E CA 1.672 58.077 56.400 0.008 0.000 0.799 131 E CB -0.176 29.534 29.700 0.017 0.000 0.748 131 E HN 0.639 nan 8.360 nan 0.000 0.449 132 E N -0.589 119.614 120.200 0.005 0.000 2.107 132 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 132 E C 1.999 178.583 176.600 -0.026 0.000 0.982 132 E CA 1.013 57.414 56.400 0.000 0.000 0.809 132 E CB -0.216 29.498 29.700 0.023 0.000 0.756 132 E HN 0.380 nan 8.360 nan 0.000 0.459 133 G N 0.608 109.371 108.800 -0.062 0.000 2.421 133 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 133 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 133 G C 1.628 176.507 174.900 -0.035 0.000 1.143 133 G CA 0.704 45.763 45.100 -0.068 0.000 0.784 133 G HN 0.380 nan 8.290 nan 0.000 0.541 134 A N 0.491 123.295 122.820 -0.026 0.000 1.908 134 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 134 A C 2.329 179.912 177.584 -0.002 0.000 1.181 134 A CA 1.697 53.727 52.037 -0.012 0.000 0.627 134 A CB -0.386 18.610 19.000 -0.006 0.000 0.818 134 A HN 0.439 nan 8.150 nan 0.000 0.445 135 L N -0.802 120.422 121.223 0.001 0.000 2.072 135 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 135 L C 2.010 178.887 176.870 0.012 0.000 1.079 135 L CA 2.192 57.037 54.840 0.009 0.000 0.752 135 L CB -0.248 41.818 42.059 0.011 0.000 0.906 135 L HN 0.321 nan 8.230 nan 0.000 0.436 136 K N -1.080 119.324 120.400 0.006 0.000 2.348 136 K HA 0.460 4.780 4.320 -0.000 0.000 0.194 136 K C 0.109 176.715 176.600 0.010 0.000 1.052 136 K CA 0.530 56.823 56.287 0.010 0.000 1.004 136 K CB 0.594 33.099 32.500 0.010 0.000 0.873 136 K HN 0.351 nan 8.250 nan 0.000 0.523 137 G N 3.011 111.812 108.800 0.001 0.000 1.956 137 G HA2 0.013 3.973 3.960 -0.000 0.000 0.189 137 G HA3 0.013 3.973 3.960 -0.000 0.000 0.189 137 G C -3.381 171.514 174.900 -0.008 0.000 1.568 137 G CA -0.877 44.225 45.100 0.004 0.000 1.002 137 G HN -0.227 nan 8.290 nan 0.000 0.653 138 P HA 0.636 nan 4.420 nan 0.000 0.286 138 P C -0.054 177.248 177.300 0.004 0.000 1.292 138 P CA -0.507 62.581 63.100 -0.019 0.000 0.842 138 P CB 2.139 33.825 31.700 -0.024 0.000 1.207 139 S N -0.147 115.559 115.700 0.010 0.000 2.537 139 S HA 0.513 4.983 4.470 -0.000 0.000 0.275 139 S C -0.198 174.423 174.600 0.035 0.000 1.272 139 S CA -0.644 57.593 58.200 0.061 0.000 1.050 139 S CB -0.761 62.533 63.200 0.158 0.000 0.961 139 S HN 0.211 nan 8.310 nan 0.000 0.496 140 I N 4.567 125.157 120.570 0.034 0.000 2.498 140 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 140 I C -0.822 175.295 176.117 -0.001 0.000 1.032 140 I CA -0.491 60.818 61.300 0.014 0.000 1.073 140 I CB 1.997 40.006 38.000 0.015 0.000 1.251 140 I HN 0.567 nan 8.210 nan 0.000 0.426 141 M N 8.228 127.811 119.600 -0.028 0.000 2.066 141 M HA 0.328 4.808 4.480 -0.000 0.000 0.264 141 M C -2.737 173.469 176.300 -0.156 0.000 0.886 141 M CA -1.446 53.800 55.300 -0.091 0.000 0.810 141 M CB 1.311 33.879 32.600 -0.055 0.000 1.451 141 M HN 0.149 nan 8.290 nan 0.000 0.373 142 P HA 0.507 nan 4.420 nan 0.000 0.290 142 P C -0.408 176.737 177.300 -0.258 0.000 1.276 142 P CA -0.063 62.950 63.100 -0.144 0.000 0.808 142 P CB 1.851 33.600 31.700 0.081 0.000 0.966 143 G N 0.503 109.134 108.800 -0.281 0.000 2.574 143 G HA2 0.775 4.735 3.960 -0.000 0.000 0.299 143 G HA3 0.775 4.735 3.960 -0.000 0.000 0.299 143 G C -0.600 174.242 174.900 -0.098 0.000 1.298 143 G CA -0.702 44.215 45.100 -0.304 0.000 0.952 143 G HN 0.785 nan 8.290 nan 0.000 0.477 144 G N -0.636 108.192 108.800 0.046 0.000 2.320 144 G HA2 0.332 4.292 3.960 -0.000 0.000 0.274 144 G HA3 0.332 4.292 3.960 -0.000 0.000 0.274 144 G C -1.074 173.984 174.900 0.263 0.000 1.324 144 G CA -0.887 44.310 45.100 0.162 0.000 0.957 144 G HN 0.767 nan 8.290 nan 0.000 0.481 145 Q N -0.080 119.842 119.800 0.204 0.000 2.352 145 Q HA 0.474 4.814 4.340 -0.000 0.000 0.260 145 Q C 1.478 177.521 176.000 0.072 0.000 0.976 145 Q CA 0.185 56.078 55.803 0.150 0.000 0.881 145 Q CB 1.433 30.236 28.738 0.107 0.000 1.235 145 Q HN 0.622 nan 8.270 nan 0.000 0.419 146 K N 1.766 122.109 120.400 -0.094 0.000 2.103 146 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 146 K C 0.909 177.429 176.600 -0.133 0.000 1.048 146 K CA 1.692 57.743 56.287 -0.393 0.000 0.930 146 K CB 0.267 32.495 32.500 -0.454 0.000 0.716 146 K HN 0.587 nan 8.250 nan 0.000 0.444 147 E N -0.008 120.160 120.200 -0.054 0.000 2.110 147 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 147 E C 1.890 178.485 176.600 -0.008 0.000 0.988 147 E CA 1.384 57.769 56.400 -0.025 0.000 0.804 147 E CB -0.327 29.369 29.700 -0.006 0.000 0.745 147 E HN 0.422 nan 8.360 nan 0.000 0.458 148 A N 0.331 123.167 122.820 0.027 0.000 1.898 148 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 148 A C 2.137 179.729 177.584 0.014 0.000 1.181 148 A CA 1.419 53.476 52.037 0.034 0.000 0.620 148 A CB -0.845 18.199 19.000 0.074 0.000 0.819 148 A HN 0.412 nan 8.150 nan 0.000 0.442 149 Y N 0.965 121.226 120.300 -0.066 0.000 2.181 149 Y HA -0.183 4.366 4.550 -0.000 0.000 0.288 149 Y C 2.149 178.003 175.900 -0.077 0.000 1.146 149 Y CA 2.085 60.148 58.100 -0.060 0.000 1.164 149 Y CB -0.065 38.353 38.460 -0.070 0.000 0.982 149 Y HN 0.316 nan 8.280 nan 0.000 0.515 150 E N 0.462 120.558 120.200 -0.173 0.000 2.204 150 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 150 E C 2.232 178.701 176.600 -0.219 0.000 0.990 150 E CA 1.132 57.393 56.400 -0.232 0.000 0.821 150 E CB -0.379 29.268 29.700 -0.088 0.000 0.750 150 E HN 0.578 nan 8.360 nan 0.000 0.477 151 L N 0.393 121.521 121.223 -0.158 0.000 2.217 151 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 151 L C 2.222 178.999 176.870 -0.155 0.000 1.107 151 L CA 0.798 55.566 54.840 -0.119 0.000 0.783 151 L CB -0.171 41.848 42.059 -0.067 0.000 0.919 151 L HN 0.050 nan 8.230 nan 0.000 0.442 152 V N -5.534 114.243 119.914 -0.229 0.000 3.605 152 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 152 V C 2.248 178.158 176.094 -0.307 0.000 1.386 152 V CA 0.525 62.690 62.300 -0.226 0.000 1.053 152 V CB 0.050 31.764 31.823 -0.182 0.000 0.857 152 V HN 0.132 nan 8.190 nan 0.000 0.436 153 A N 1.547 124.065 122.820 -0.502 0.000 1.948 153 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 153 A C 0.570 178.019 177.584 -0.224 0.000 1.177 153 A CA 2.416 54.135 52.037 -0.531 0.000 0.636 153 A CB -1.776 16.785 19.000 -0.730 0.000 0.815 153 A HN 0.607 nan 8.150 nan 0.000 0.449 154 P HA -0.121 nan 4.420 nan 0.000 0.215 154 P C 1.654 178.928 177.300 -0.043 0.000 1.157 154 P CA 0.930 63.988 63.100 -0.070 0.000 0.863 154 P CB -0.039 31.636 31.700 -0.043 0.000 0.787 155 I N -1.281 119.240 120.570 -0.082 0.000 2.353 155 I HA -0.169 4.000 4.170 -0.000 0.000 0.248 155 I C 1.855 177.920 176.117 -0.086 0.000 1.119 155 I CA 1.128 62.365 61.300 -0.105 0.000 1.417 155 I CB -0.201 37.645 38.000 -0.256 0.000 1.078 155 I HN -0.163 nan 8.210 nan 0.000 0.421 156 L N -0.142 121.024 121.223 -0.094 0.000 2.141 156 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 156 L C 2.403 179.262 176.870 -0.017 0.000 1.094 156 L CA 1.436 56.242 54.840 -0.056 0.000 0.763 156 L CB -0.986 41.041 42.059 -0.052 0.000 0.908 156 L HN 0.216 nan 8.230 nan 0.000 0.437 157 T N -0.517 114.028 114.554 -0.016 0.000 2.867 157 T HA -0.150 4.199 4.350 -0.000 0.000 0.268 157 T C 1.907 176.621 174.700 0.024 0.000 1.057 157 T CA 1.075 63.182 62.100 0.012 0.000 1.136 157 T CB -0.031 68.842 68.868 0.009 0.000 0.874 157 T HN 0.284 nan 8.240 nan 0.000 0.466 158 K N 0.884 121.304 120.400 0.033 0.000 2.148 158 K HA 0.041 4.361 4.320 -0.000 0.000 0.204 158 K C 2.117 178.750 176.600 0.055 0.000 1.050 158 K CA 1.088 57.412 56.287 0.063 0.000 0.942 158 K CB -0.176 32.404 32.500 0.133 0.000 0.724 158 K HN 0.541 nan 8.250 nan 0.000 0.446 159 I N -2.887 117.704 120.570 0.034 0.000 3.860 159 I HA 0.217 4.387 4.170 -0.000 0.000 0.319 159 I C 0.685 176.814 176.117 0.020 0.000 1.279 159 I CA -0.482 60.835 61.300 0.028 0.000 1.220 159 I CB 0.128 38.135 38.000 0.011 0.000 1.027 159 I HN -0.208 nan 8.210 nan 0.000 0.428 160 A N 1.991 124.823 122.820 0.020 0.000 2.366 160 A HA 0.703 5.023 4.320 -0.000 0.000 0.249 160 A C 0.788 178.387 177.584 0.024 0.000 1.084 160 A CA 0.116 52.166 52.037 0.021 0.000 0.794 160 A CB 0.148 19.164 19.000 0.027 0.000 1.034 160 A HN 0.502 nan 8.150 nan 0.000 0.491 161 A N 0.154 122.988 122.820 0.024 0.000 2.429 161 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 161 A C 0.437 178.041 177.584 0.034 0.000 1.088 161 A CA 0.473 52.526 52.037 0.026 0.000 0.784 161 A CB -0.336 18.680 19.000 0.027 0.000 1.038 161 A HN 2.102 nan 8.150 nan 0.000 0.501 162 V N -1.608 118.327 119.914 0.035 0.000 2.715 162 V HA 0.830 4.950 4.120 -0.000 0.000 0.310 162 V C 0.461 176.580 176.094 0.042 0.000 1.054 162 V CA -0.551 61.771 62.300 0.036 0.000 0.928 162 V CB 0.719 32.560 31.823 0.031 0.000 1.007 162 V HN 1.627 nan 8.190 nan 0.000 0.437 163 A N 2.252 125.099 122.820 0.045 0.000 2.346 163 A HA 0.425 4.745 4.320 -0.000 0.000 0.255 163 A C 1.196 178.806 177.584 0.044 0.000 1.113 163 A CA -0.024 52.044 52.037 0.051 0.000 0.798 163 A CB -0.026 19.003 19.000 0.049 0.000 1.073 163 A HN 0.970 nan 8.150 nan 0.000 0.502 164 E N 0.490 120.718 120.200 0.046 0.000 2.153 164 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 164 E C 0.945 177.564 176.600 0.031 0.000 0.988 164 E CA 1.540 57.964 56.400 0.040 0.000 0.811 164 E CB -0.358 29.367 29.700 0.042 0.000 0.746 164 E HN 0.820 nan 8.360 nan 0.000 0.466 165 D N -0.641 119.776 120.400 0.027 0.000 2.336 165 D HA 0.041 4.681 4.640 -0.000 0.000 0.229 165 D C 1.291 177.603 176.300 0.020 0.000 1.061 165 D CA 0.768 54.781 54.000 0.020 0.000 0.875 165 D CB -0.063 40.747 40.800 0.015 0.000 0.904 165 D HN 0.190 nan 8.370 nan 0.000 0.525 166 G N -0.362 108.452 108.800 0.024 0.000 2.176 166 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.253 166 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.253 166 G C -0.035 174.880 174.900 0.024 0.000 0.979 166 G CA -0.026 45.088 45.100 0.023 0.000 0.641 166 G HN 0.378 nan 8.290 nan 0.000 0.530 167 E N 1.484 121.699 120.200 0.024 0.000 2.316 167 E HA 0.330 4.680 4.350 -0.000 0.000 0.275 167 E C -2.323 174.295 176.600 0.029 0.000 1.029 167 E CA -1.689 54.726 56.400 0.024 0.000 0.871 167 E CB 0.874 30.586 29.700 0.021 0.000 1.022 167 E HN 0.186 nan 8.360 nan 0.000 0.418 168 P HA 0.024 nan 4.420 nan 0.000 0.268 168 P C -0.311 177.010 177.300 0.034 0.000 1.205 168 P CA -0.076 63.044 63.100 0.033 0.000 0.771 168 P CB 0.511 32.232 31.700 0.035 0.000 0.858 169 C N 4.043 123.366 119.300 0.038 0.000 3.089 169 C HA 0.388 4.847 4.460 -0.000 0.000 0.548 169 C C 0.489 175.498 174.990 0.032 0.000 1.205 169 C CA -0.028 59.014 59.018 0.040 0.000 1.398 169 C CB -1.772 26.006 27.740 0.062 0.000 1.764 169 C HN 0.343 nan 8.230 nan 0.000 0.638 170 V N 0.677 120.610 119.914 0.032 0.000 2.932 170 V HA 0.851 4.971 4.120 -0.000 0.000 0.307 170 V C -0.678 175.449 176.094 0.056 0.000 1.147 170 V CA 0.261 62.589 62.300 0.046 0.000 0.951 170 V CB 2.612 34.481 31.823 0.077 0.000 1.031 170 V HN 0.451 nan 8.190 nan 0.000 0.426 171 T N 4.188 118.755 114.554 0.022 0.000 2.830 171 T HA 0.386 4.736 4.350 -0.000 0.000 0.322 171 T C -1.964 172.609 174.700 -0.212 0.000 1.501 171 T CA -0.334 61.749 62.100 -0.028 0.000 1.036 171 T CB 1.274 70.094 68.868 -0.079 0.000 1.379 171 T HN 0.963 nan 8.240 nan 0.000 0.493 172 Y N 5.179 125.094 120.300 -0.642 0.000 2.496 172 Y HA 0.316 4.865 4.550 -0.000 0.000 0.334 172 Y C 1.019 176.631 175.900 -0.480 0.000 1.080 172 Y CA -0.677 56.859 58.100 -0.940 0.000 1.355 172 Y CB 0.083 37.877 38.460 -1.110 0.000 1.193 172 Y HN 0.556 nan 8.280 nan 0.000 0.523 173 I N 4.598 124.627 120.570 -0.902 0.000 2.400 173 I HA 0.160 4.330 4.170 -0.000 0.000 0.248 173 I C 1.329 176.892 176.117 -0.923 0.000 1.109 173 I CA 1.546 62.402 61.300 -0.741 0.000 1.425 173 I CB -1.181 36.476 38.000 -0.573 0.000 1.094 173 I HN 0.809 nan 8.210 nan 0.000 0.425 174 G N -0.648 107.333 108.800 -1.366 0.000 2.327 174 G HA2 0.451 4.411 3.960 -0.000 0.000 0.291 174 G HA3 0.451 4.411 3.960 -0.000 0.000 0.291 174 G C -1.230 173.287 174.900 -0.639 0.000 1.290 174 G CA -0.237 44.292 45.100 -0.952 0.000 0.857 174 G HN 0.333 nan 8.290 nan 0.000 0.520 175 A N -0.337 122.387 122.820 -0.160 0.000 2.346 175 A HA 0.606 4.926 4.320 -0.000 0.000 0.252 175 A C 1.261 178.860 177.584 0.025 0.000 1.089 175 A CA 1.451 53.537 52.037 0.080 0.000 0.797 175 A CB -0.523 18.635 19.000 0.263 0.000 1.047 175 A HN 2.448 nan 8.150 nan 0.000 0.494 176 D N 0.004 120.490 120.400 0.144 0.000 4.078 176 D HA -0.310 4.330 4.640 -0.000 0.000 0.196 176 D C 1.032 177.394 176.300 0.103 0.000 0.717 176 D CA 2.171 56.286 54.000 0.191 0.000 0.950 176 D CB -1.336 39.631 40.800 0.279 0.000 0.423 176 D HN 1.029 nan 8.370 nan 0.000 0.373 177 G N -0.660 108.256 108.800 0.193 0.000 3.181 177 G HA2 0.401 4.361 3.960 -0.000 0.000 0.219 177 G HA3 0.401 4.361 3.960 -0.000 0.000 0.219 177 G C 1.301 176.023 174.900 -0.298 0.000 1.182 177 G CA 0.783 45.959 45.100 0.126 0.000 0.791 177 G HN 0.791 nan 8.290 nan 0.000 0.537 178 A N 0.849 123.098 122.820 -0.952 0.000 1.902 178 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 178 A C 2.601 179.707 177.584 -0.797 0.000 1.181 178 A CA 2.026 53.038 52.037 -1.708 0.000 0.623 178 A CB -0.729 17.226 19.000 -1.741 0.000 0.818 178 A HN 0.444 nan 8.150 nan 0.000 0.443 179 G N -1.566 106.908 108.800 -0.544 0.000 2.402 179 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 179 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 179 G C 1.504 176.281 174.900 -0.206 0.000 1.162 179 G CA 1.072 45.947 45.100 -0.374 0.000 0.777 179 G HN 0.621 nan 8.290 nan 0.000 0.539 180 H N -1.315 117.689 119.070 -0.109 0.000 2.457 180 H HA -0.024 4.532 4.556 -0.000 0.000 0.294 180 H C 2.023 177.328 175.328 -0.038 0.000 1.064 180 H CA 0.912 56.953 56.048 -0.012 0.000 1.330 180 H CB -0.278 29.520 29.762 0.060 0.000 1.395 180 H HN 0.502 nan 8.280 nan 0.000 0.541 181 Y N 0.742 120.961 120.300 -0.135 0.000 2.200 181 Y HA -0.173 4.376 4.550 -0.000 0.000 0.290 181 Y C 2.465 178.268 175.900 -0.162 0.000 1.137 181 Y CA 0.979 58.906 58.100 -0.288 0.000 1.163 181 Y CB -0.205 37.924 38.460 -0.551 0.000 0.988 181 Y HN -0.114 nan 8.280 nan 0.000 0.518 182 V N 0.587 120.499 119.914 -0.003 0.000 2.407 182 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 182 V C 2.285 178.441 176.094 0.102 0.000 1.055 182 V CA 2.164 64.492 62.300 0.046 0.000 1.049 182 V CB -0.595 31.209 31.823 -0.031 0.000 0.662 182 V HN 0.259 nan 8.190 nan 0.000 0.455 183 K N 0.516 120.967 120.400 0.086 0.000 2.097 183 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 183 K C 2.127 178.783 176.600 0.092 0.000 1.049 183 K CA 1.968 58.330 56.287 0.125 0.000 0.933 183 K CB -0.493 32.095 32.500 0.147 0.000 0.717 183 K HN 0.442 nan 8.250 nan 0.000 0.442 184 M N -0.271 119.342 119.600 0.021 0.000 2.086 184 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 184 M C 1.597 177.828 176.300 -0.115 0.000 1.067 184 M CA 1.746 57.038 55.300 -0.014 0.000 1.116 184 M CB -0.045 32.523 32.600 -0.054 0.000 1.348 184 M HN 0.034 nan 8.290 nan 0.000 0.407 185 V N 0.273 120.080 119.914 -0.179 0.000 2.407 185 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 185 V C 2.356 178.362 176.094 -0.147 0.000 1.055 185 V CA 2.401 64.599 62.300 -0.170 0.000 1.049 185 V CB -1.306 30.441 31.823 -0.126 0.000 0.662 185 V HN 0.688 nan 8.190 nan 0.000 0.455 186 H N 0.816 119.802 119.070 -0.140 0.000 2.352 186 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 186 H C 2.180 177.380 175.328 -0.214 0.000 1.097 186 H CA 2.323 58.205 56.048 -0.276 0.000 1.311 186 H CB -0.032 29.511 29.762 -0.366 0.000 1.377 186 H HN 0.367 nan 8.280 nan 0.000 0.504 187 N N -0.186 118.468 118.700 -0.076 0.000 2.188 187 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 187 N C 2.127 177.484 175.510 -0.253 0.000 1.018 187 N CA 1.149 54.150 53.050 -0.082 0.000 0.858 187 N CB -0.775 37.704 38.487 -0.013 0.000 0.989 187 N HN 0.571 nan 8.380 nan 0.000 0.426 188 G N 0.884 109.495 108.800 -0.315 0.000 2.421 188 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 188 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 188 G C 1.579 176.324 174.900 -0.258 0.000 1.171 188 G CA 0.415 45.301 45.100 -0.357 0.000 0.775 188 G HN 0.272 nan 8.290 nan 0.000 0.543 189 I N 0.570 120.951 120.570 -0.316 0.000 2.286 189 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 189 I C 2.668 178.633 176.117 -0.254 0.000 1.115 189 I CA 1.453 62.532 61.300 -0.369 0.000 1.392 189 I CB -0.198 37.453 38.000 -0.581 0.000 1.065 189 I HN 0.334 nan 8.210 nan 0.000 0.418 190 E N 0.666 120.696 120.200 -0.283 0.000 2.085 190 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 190 E C 2.262 178.898 176.600 0.061 0.000 0.994 190 E CA 1.619 57.946 56.400 -0.121 0.000 0.801 190 E CB -0.118 29.509 29.700 -0.121 0.000 0.743 190 E HN 0.419 nan 8.360 nan 0.000 0.453 191 Y N 0.290 120.502 120.300 -0.148 0.000 2.181 191 Y HA -0.069 4.481 4.550 -0.000 0.000 0.288 191 Y C 2.479 178.326 175.900 -0.088 0.000 1.146 191 Y CA 1.364 59.397 58.100 -0.111 0.000 1.164 191 Y CB -1.010 37.368 38.460 -0.137 0.000 0.982 191 Y HN 0.188 nan 8.280 nan 0.000 0.515 192 G N -0.467 108.377 108.800 0.073 0.000 2.418 192 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 192 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 192 G C 1.360 176.295 174.900 0.059 0.000 1.158 192 G CA 1.276 46.395 45.100 0.031 0.000 0.771 192 G HN 0.275 nan 8.290 nan 0.000 0.545 193 D N 0.292 120.727 120.400 0.058 0.000 2.144 193 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 193 D C 2.653 179.003 176.300 0.083 0.000 0.978 193 D CA 0.708 54.767 54.000 0.098 0.000 0.833 193 D CB -0.225 40.644 40.800 0.114 0.000 0.961 193 D HN 0.308 nan 8.370 nan 0.000 0.470 194 M N -0.123 119.501 119.600 0.040 0.000 2.175 194 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 194 M C 2.153 178.470 176.300 0.028 0.000 1.063 194 M CA 1.132 56.438 55.300 0.009 0.000 1.119 194 M CB -0.066 32.499 32.600 -0.059 0.000 1.377 194 M HN -0.113 nan 8.290 nan 0.000 0.415 195 Q N 0.980 120.797 119.800 0.028 0.000 2.119 195 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 195 Q C 1.715 177.756 176.000 0.068 0.000 0.972 195 Q CA 1.552 57.374 55.803 0.033 0.000 0.847 195 Q CB -0.353 28.399 28.738 0.024 0.000 0.903 195 Q HN 0.526 nan 8.270 nan 0.000 0.433 196 L N -0.422 120.878 121.223 0.130 0.000 2.046 196 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 196 L C 2.290 179.314 176.870 0.256 0.000 1.077 196 L CA 1.119 56.107 54.840 0.246 0.000 0.747 196 L CB -0.409 41.826 42.059 0.294 0.000 0.896 196 L HN 0.273 nan 8.230 nan 0.000 0.432 197 I N -0.270 120.441 120.570 0.235 0.000 2.226 197 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 197 I C 2.757 179.056 176.117 0.303 0.000 1.100 197 I CA 1.174 62.658 61.300 0.306 0.000 1.374 197 I CB -0.445 37.663 38.000 0.180 0.000 1.057 197 I HN 0.218 nan 8.210 nan 0.000 0.413 198 A N 0.323 123.257 122.820 0.190 0.000 1.933 198 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 198 A C 2.202 179.873 177.584 0.145 0.000 1.175 198 A CA 1.701 53.869 52.037 0.218 0.000 0.628 198 A CB -0.528 18.542 19.000 0.115 0.000 0.814 198 A HN 0.454 nan 8.150 nan 0.000 0.444 199 E N -0.378 119.805 120.200 -0.027 0.000 2.107 199 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 199 E C 2.311 178.819 176.600 -0.153 0.000 0.982 199 E CA 0.742 56.985 56.400 -0.262 0.000 0.809 199 E CB -0.250 28.991 29.700 -0.765 0.000 0.756 199 E HN 0.625 nan 8.360 nan 0.000 0.459 200 A N 1.089 123.963 122.820 0.089 0.000 1.877 200 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 200 A C 2.073 179.891 177.584 0.390 0.000 1.186 200 A CA 1.482 53.730 52.037 0.353 0.000 0.620 200 A CB -0.798 18.585 19.000 0.639 0.000 0.822 200 A HN 0.418 nan 8.150 nan 0.000 0.443 201 Y N 1.558 122.051 120.300 0.321 0.000 2.128 201 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 201 Y C 2.602 178.584 175.900 0.136 0.000 1.154 201 Y CA 1.569 59.829 58.100 0.266 0.000 1.149 201 Y CB -0.926 37.738 38.460 0.340 0.000 0.976 201 Y HN 0.282 nan 8.280 nan 0.000 0.505 202 S N 0.576 116.246 115.700 -0.050 0.000 2.383 202 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 202 S C 2.153 176.750 174.600 -0.006 0.000 1.030 202 S CA 1.574 59.671 58.200 -0.173 0.000 1.002 202 S CB -0.574 62.546 63.200 -0.134 0.000 0.829 202 S HN 0.482 nan 8.310 nan 0.000 0.467 203 L N 0.807 122.088 121.223 0.097 0.000 2.056 203 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 203 L C 2.210 179.270 176.870 0.316 0.000 1.078 203 L CA 1.007 55.995 54.840 0.247 0.000 0.749 203 L CB -0.488 41.722 42.059 0.253 0.000 0.901 203 L HN 0.283 nan 8.230 nan 0.000 0.433 204 L N -0.393 120.978 121.223 0.246 0.000 2.056 204 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 204 L C 2.649 179.555 176.870 0.061 0.000 1.078 204 L CA 1.321 56.268 54.840 0.178 0.000 0.749 204 L CB -0.427 41.668 42.059 0.060 0.000 0.901 204 L HN 0.231 nan 8.230 nan 0.000 0.433 205 K N 0.062 120.488 120.400 0.044 0.000 2.062 205 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 205 K C 2.042 178.627 176.600 -0.024 0.000 1.051 205 K CA 1.158 57.436 56.287 -0.015 0.000 0.941 205 K CB -0.152 32.308 32.500 -0.066 0.000 0.719 205 K HN 0.290 nan 8.250 nan 0.000 0.440 206 G N -0.409 108.393 108.800 0.003 0.000 2.403 206 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.216 206 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.216 206 G C 1.395 176.326 174.900 0.053 0.000 1.154 206 G CA 0.732 45.847 45.100 0.025 0.000 0.784 206 G HN 0.457 nan 8.290 nan 0.000 0.538 207 G N 0.131 108.970 108.800 0.064 0.000 2.459 207 G HA2 0.137 4.097 3.960 -0.000 0.000 0.213 207 G HA3 0.137 4.097 3.960 -0.000 0.000 0.213 207 G C 1.441 176.139 174.900 -0.335 0.000 1.155 207 G CA 0.203 45.236 45.100 -0.112 0.000 0.811 207 G HN 0.383 nan 8.290 nan 0.000 0.534 208 L N -0.495 120.567 121.223 -0.270 0.000 2.858 208 L HA 0.300 4.640 4.340 -0.000 0.000 0.251 208 L C 0.805 177.595 176.870 -0.132 0.000 1.149 208 L CA -0.174 54.521 54.840 -0.241 0.000 0.955 208 L CB 0.238 42.153 42.059 -0.240 0.000 1.289 208 L HN 0.148 nan 8.230 nan 0.000 0.542 209 N N 1.644 120.288 118.700 -0.093 0.000 2.727 209 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 209 N C -0.300 175.167 175.510 -0.072 0.000 1.048 209 N CA 0.431 53.441 53.050 -0.066 0.000 0.714 209 N CB -1.142 37.310 38.487 -0.059 0.000 0.959 209 N HN 0.263 nan 8.380 nan 0.000 0.544 210 L N 0.357 121.530 121.223 -0.083 0.000 2.456 210 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 210 L C 1.637 178.441 176.870 -0.110 0.000 1.189 210 L CA 0.363 55.138 54.840 -0.108 0.000 0.846 210 L CB 0.267 42.239 42.059 -0.145 0.000 1.111 210 L HN 0.396 nan 8.230 nan 0.000 0.475 211 T N -1.212 113.271 114.554 -0.119 0.000 2.754 211 T HA 0.097 4.447 4.350 -0.000 0.000 0.286 211 T C 1.109 175.679 174.700 -0.216 0.000 0.997 211 T CA -0.753 61.267 62.100 -0.133 0.000 0.982 211 T CB 0.733 69.541 68.868 -0.100 0.000 1.027 211 T HN 0.473 nan 8.240 nan 0.000 0.529 212 N N 0.790 119.305 118.700 -0.307 0.000 2.166 212 N HA -0.104 4.635 4.740 -0.000 0.000 0.186 212 N C 1.818 177.187 175.510 -0.235 0.000 1.019 212 N CA 1.011 53.840 53.050 -0.367 0.000 0.856 212 N CB -0.338 37.696 38.487 -0.755 0.000 0.993 212 N HN 0.625 nan 8.380 nan 0.000 0.426 213 E N 1.232 121.339 120.200 -0.155 0.000 2.077 213 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 213 E C 1.672 178.217 176.600 -0.092 0.000 0.989 213 E CA 0.804 57.179 56.400 -0.041 0.000 0.800 213 E CB -0.196 29.516 29.700 0.019 0.000 0.746 213 E HN 0.566 nan 8.360 nan 0.000 0.452 214 E N 0.505 120.623 120.200 -0.137 0.000 2.150 214 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 214 E C 2.313 178.764 176.600 -0.248 0.000 0.985 214 E CA 0.361 56.663 56.400 -0.163 0.000 0.814 214 E CB -0.054 29.556 29.700 -0.151 0.000 0.752 214 E HN 0.181 nan 8.360 nan 0.000 0.466 215 L N 0.536 121.559 121.223 -0.333 0.000 2.056 215 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 215 L C 2.563 179.280 176.870 -0.256 0.000 1.078 215 L CA 0.986 55.532 54.840 -0.489 0.000 0.749 215 L CB -0.379 41.050 42.059 -1.050 0.000 0.901 215 L HN 0.136 nan 8.230 nan 0.000 0.433 216 A N -0.434 122.311 122.820 -0.126 0.000 1.902 216 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 216 A C 2.200 179.778 177.584 -0.009 0.000 1.181 216 A CA 1.510 53.585 52.037 0.063 0.000 0.623 216 A CB -0.430 18.628 19.000 0.097 0.000 0.818 216 A HN 0.468 nan 8.150 nan 0.000 0.443 217 Q N -0.903 118.844 119.800 -0.088 0.000 2.119 217 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 217 Q C 2.134 178.008 176.000 -0.210 0.000 0.972 217 Q CA 1.879 57.618 55.803 -0.107 0.000 0.847 217 Q CB -0.366 28.309 28.738 -0.105 0.000 0.903 217 Q HN 0.657 nan 8.270 nan 0.000 0.433 218 T N 0.384 114.711 114.554 -0.378 0.000 2.737 218 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 218 T C 1.310 175.448 174.700 -0.937 0.000 1.038 218 T CA 1.068 62.721 62.100 -0.746 0.000 1.144 218 T CB -0.291 67.971 68.868 -1.011 0.000 0.866 218 T HN 0.156 nan 8.240 nan 0.000 0.434 219 F N 1.718 121.340 119.950 -0.547 0.000 2.216 219 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 219 F C 2.784 178.537 175.800 -0.079 0.000 1.085 219 F CA 0.854 58.686 58.000 -0.281 0.000 1.326 219 F CB -1.134 37.811 39.000 -0.092 0.000 1.027 219 F HN 0.104 nan 8.300 nan 0.000 0.497 220 T N -0.841 113.751 114.554 0.064 0.000 2.708 220 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 220 T C 1.939 176.679 174.700 0.067 0.000 1.037 220 T CA 1.371 63.513 62.100 0.070 0.000 1.146 220 T CB -0.160 68.726 68.868 0.031 0.000 0.865 220 T HN 0.110 nan 8.240 nan 0.000 0.435 221 E N -0.088 120.111 120.200 -0.002 0.000 2.106 221 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 221 E C 2.007 178.735 176.600 0.214 0.000 0.984 221 E CA 0.815 57.249 56.400 0.056 0.000 0.806 221 E CB -0.153 29.548 29.700 0.001 0.000 0.750 221 E HN 0.595 nan 8.360 nan 0.000 0.458 222 W N 1.206 122.499 121.300 -0.012 0.000 2.363 222 W HA -0.091 4.569 4.660 -0.000 0.000 0.296 222 W C 2.062 178.604 176.519 0.039 0.000 1.212 222 W CA 0.820 58.161 57.345 -0.008 0.000 1.260 222 W CB -1.333 28.120 29.460 -0.011 0.000 1.131 222 W HN 0.176 nan 8.180 nan 0.000 0.530 223 N N 0.387 119.273 118.700 0.310 0.000 2.381 223 N HA -0.141 4.599 4.740 -0.000 0.000 0.182 223 N C 0.953 176.551 175.510 0.147 0.000 1.025 223 N CA 1.220 54.399 53.050 0.215 0.000 0.888 223 N CB -0.535 38.063 38.487 0.186 0.000 0.965 223 N HN 0.227 nan 8.380 nan 0.000 0.438 224 N N -1.227 117.551 118.700 0.131 0.000 2.398 224 N HA 0.095 4.835 4.740 -0.000 0.000 0.188 224 N C 0.668 176.222 175.510 0.074 0.000 1.122 224 N CA 0.100 53.205 53.050 0.091 0.000 0.866 224 N CB 0.427 38.960 38.487 0.076 0.000 0.970 224 N HN 0.147 nan 8.380 nan 0.000 0.462 225 G N 1.039 109.884 108.800 0.075 0.000 3.008 225 G HA2 0.027 3.987 3.960 -0.000 0.000 0.181 225 G HA3 0.027 3.987 3.960 -0.000 0.000 0.181 225 G C 0.566 175.467 174.900 0.002 0.000 1.309 225 G CA -0.302 44.814 45.100 0.027 0.000 1.009 225 G HN 0.222 nan 8.290 nan 0.000 0.584 226 E N -0.447 119.703 120.200 -0.083 0.000 2.265 226 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 226 E C 1.934 178.497 176.600 -0.061 0.000 0.996 226 E CA 0.606 56.936 56.400 -0.118 0.000 0.832 226 E CB -0.154 29.355 29.700 -0.318 0.000 0.756 226 E HN 0.314 nan 8.360 nan 0.000 0.491 227 L N 1.659 122.838 121.223 -0.073 0.000 2.552 227 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 227 L C 1.155 178.113 176.870 0.146 0.000 1.146 227 L CA -0.215 54.664 54.840 0.066 0.000 0.858 227 L CB -0.009 42.074 42.059 0.039 0.000 0.969 227 L HN 0.031 nan 8.230 nan 0.000 0.451 228 S N 0.576 116.357 115.700 0.136 0.000 3.298 228 S HA 0.011 4.481 4.470 -0.000 0.000 0.389 228 S C 0.193 174.898 174.600 0.175 0.000 1.186 228 S CA 0.395 58.685 58.200 0.152 0.000 1.034 228 S CB -0.191 63.086 63.200 0.128 0.000 0.735 228 S HN 0.475 nan 8.310 nan 0.000 0.510 229 S N 4.511 120.318 115.700 0.178 0.000 2.567 229 S HA 0.316 4.786 4.470 -0.000 0.000 0.270 229 S C -0.059 174.663 174.600 0.204 0.000 1.152 229 S CA -0.679 57.642 58.200 0.202 0.000 0.835 229 S CB 0.422 63.737 63.200 0.192 0.000 1.115 229 S HN 0.742 nan 8.310 nan 0.000 0.459 230 Y N 1.831 122.196 120.300 0.109 0.000 2.165 230 Y HA 0.010 4.560 4.550 -0.000 0.000 0.286 230 Y C 1.737 177.674 175.900 0.063 0.000 1.155 230 Y CA 1.968 60.117 58.100 0.083 0.000 1.164 230 Y CB -0.375 38.135 38.460 0.082 0.000 0.978 230 Y HN 0.693 nan 8.280 nan 0.000 0.513 231 L N -0.442 120.806 121.223 0.043 0.000 2.083 231 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 231 L C 2.393 179.193 176.870 -0.118 0.000 1.083 231 L CA 1.362 56.144 54.840 -0.097 0.000 0.752 231 L CB -0.445 41.638 42.059 0.040 0.000 0.899 231 L HN 0.302 nan 8.230 nan 0.000 0.433 232 I N -0.569 120.008 120.570 0.012 0.000 2.353 232 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 232 I C 2.139 178.257 176.117 0.002 0.000 1.119 232 I CA 0.980 62.319 61.300 0.066 0.000 1.417 232 I CB -0.267 37.886 38.000 0.256 0.000 1.078 232 I HN 0.246 nan 8.210 nan 0.000 0.421 233 D N 1.448 121.836 120.400 -0.019 0.000 2.123 233 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 233 D C 2.113 178.328 176.300 -0.142 0.000 0.992 233 D CA 1.450 55.428 54.000 -0.037 0.000 0.833 233 D CB -0.071 40.725 40.800 -0.008 0.000 0.954 233 D HN 0.516 nan 8.370 nan 0.000 0.455 234 I N -2.388 117.995 120.570 -0.311 0.000 2.546 234 I HA -0.086 4.084 4.170 -0.000 0.000 0.255 234 I C 1.863 177.815 176.117 -0.275 0.000 1.163 234 I CA 0.982 62.085 61.300 -0.328 0.000 1.457 234 I CB -0.594 37.104 38.000 -0.504 0.000 1.092 234 I HN -0.204 nan 8.210 nan 0.000 0.434 235 T N 2.273 116.647 114.554 -0.301 0.000 2.746 235 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 235 T C 1.713 176.270 174.700 -0.239 0.000 1.039 235 T CA 2.300 64.160 62.100 -0.400 0.000 1.142 235 T CB -0.207 68.309 68.868 -0.586 0.000 0.866 235 T HN 0.572 nan 8.240 nan 0.000 0.444 236 K N 1.660 122.008 120.400 -0.088 0.000 2.147 236 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 236 K C 1.573 178.193 176.600 0.033 0.000 1.049 236 K CA 1.597 57.928 56.287 0.075 0.000 0.936 236 K CB -0.294 32.275 32.500 0.114 0.000 0.722 236 K HN 0.148 nan 8.250 nan 0.000 0.446 237 D N 0.961 121.335 120.400 -0.043 0.000 2.117 237 D HA -0.057 4.582 4.640 -0.000 0.000 0.198 237 D C 1.971 178.226 176.300 -0.075 0.000 0.982 237 D CA 1.147 55.121 54.000 -0.044 0.000 0.828 237 D CB -0.166 40.594 40.800 -0.067 0.000 0.967 237 D HN 0.254 nan 8.370 nan 0.000 0.464 238 I N 0.171 120.627 120.570 -0.190 0.000 2.264 238 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 238 I C 1.810 177.750 176.117 -0.295 0.000 1.111 238 I CA 0.752 61.877 61.300 -0.292 0.000 1.382 238 I CB -0.173 37.537 38.000 -0.483 0.000 1.060 238 I HN -0.116 nan 8.210 nan 0.000 0.418 239 F N 0.659 120.534 119.950 -0.126 0.000 2.546 239 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 239 F C 2.426 178.235 175.800 0.015 0.000 1.120 239 F CA 1.388 59.319 58.000 -0.115 0.000 1.456 239 F CB -0.623 38.280 39.000 -0.162 0.000 1.088 239 F HN 0.168 nan 8.300 nan 0.000 0.572 240 T N -4.003 110.672 114.554 0.202 0.000 3.044 240 T HA 0.148 4.498 4.350 -0.000 0.000 0.260 240 T C 0.557 175.376 174.700 0.197 0.000 1.019 240 T CA -0.417 61.854 62.100 0.284 0.000 0.921 240 T CB -0.012 68.960 68.868 0.173 0.000 1.053 240 T HN -0.194 nan 8.240 nan 0.000 0.533 241 K N 2.688 123.157 120.400 0.113 0.000 2.379 241 K HA 0.335 4.655 4.320 -0.000 0.000 0.284 241 K C -0.499 176.106 176.600 0.008 0.000 1.044 241 K CA 0.061 56.366 56.287 0.030 0.000 0.974 241 K CB 0.372 32.863 32.500 -0.016 0.000 0.962 241 K HN 0.294 nan 8.250 nan 0.000 0.474 242 K N 2.925 123.279 120.400 -0.076 0.000 2.267 242 K HA 0.244 4.564 4.320 -0.000 0.000 0.246 242 K C -0.622 175.930 176.600 -0.081 0.000 0.954 242 K CA -1.124 55.080 56.287 -0.137 0.000 0.824 242 K CB 1.167 33.517 32.500 -0.249 0.000 1.167 242 K HN 0.799 nan 8.250 nan 0.000 0.431 243 D N -0.219 120.139 120.400 -0.070 0.000 2.478 243 D HA -0.050 4.589 4.640 -0.000 0.000 0.269 243 D C 0.789 177.057 176.300 -0.052 0.000 1.232 243 D CA -0.360 53.611 54.000 -0.048 0.000 1.059 243 D CB 0.363 41.144 40.800 -0.032 0.000 1.104 243 D HN 0.665 nan 8.370 nan 0.000 0.566 244 E N -0.959 119.217 120.200 -0.038 0.000 2.204 244 E HA -0.189 4.160 4.350 -0.000 0.000 0.194 244 E C 0.214 176.791 176.600 -0.038 0.000 0.989 244 E CA 0.936 57.314 56.400 -0.036 0.000 0.824 244 E CB -0.304 29.380 29.700 -0.026 0.000 0.756 244 E HN 0.307 nan 8.360 nan 0.000 0.477 245 D N 0.245 120.623 120.400 -0.037 0.000 2.328 245 D HA 0.097 4.737 4.640 -0.000 0.000 0.226 245 D C 1.035 177.306 176.300 -0.048 0.000 1.066 245 D CA 0.823 54.803 54.000 -0.034 0.000 0.861 245 D CB 0.630 41.416 40.800 -0.023 0.000 0.912 245 D HN 0.431 nan 8.370 nan 0.000 0.521 246 G N 0.941 109.698 108.800 -0.072 0.000 2.143 246 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.249 246 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.249 246 G C 0.198 175.014 174.900 -0.140 0.000 0.981 246 G CA -0.389 44.643 45.100 -0.113 0.000 0.665 246 G HN 0.248 nan 8.290 nan 0.000 0.528 247 N N -0.052 118.595 118.700 -0.088 0.000 2.529 247 N HA 0.354 5.094 4.740 -0.000 0.000 0.278 247 N C -0.215 175.255 175.510 -0.066 0.000 1.146 247 N CA -0.156 52.868 53.050 -0.043 0.000 0.980 247 N CB 0.503 38.993 38.487 0.004 0.000 1.124 247 N HN 0.161 nan 8.380 nan 0.000 0.458 248 Y N 1.608 121.916 120.300 0.013 0.000 2.465 248 Y HA 0.004 4.554 4.550 -0.000 0.000 0.331 248 Y C 1.857 177.755 175.900 -0.003 0.000 1.102 248 Y CA 0.084 58.192 58.100 0.012 0.000 1.358 248 Y CB 0.499 38.984 38.460 0.042 0.000 1.213 248 Y HN 0.451 nan 8.280 nan 0.000 0.525 249 L N 2.797 124.088 121.223 0.114 0.000 2.042 249 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 249 L C 2.249 179.138 176.870 0.031 0.000 1.076 249 L CA 1.042 55.906 54.840 0.040 0.000 0.749 249 L CB -0.473 41.580 42.059 -0.010 0.000 0.893 249 L HN 0.586 nan 8.230 nan 0.000 0.432 250 V N -0.097 119.828 119.914 0.019 0.000 2.688 250 V HA -0.273 3.847 4.120 -0.000 0.000 0.256 250 V C 1.534 177.665 176.094 0.062 0.000 1.084 250 V CA 1.918 64.197 62.300 -0.035 0.000 1.103 250 V CB -0.363 31.347 31.823 -0.189 0.000 0.688 250 V HN 0.465 nan 8.190 nan 0.000 0.480 251 D N -0.722 119.746 120.400 0.112 0.000 2.339 251 D HA 0.055 4.694 4.640 -0.000 0.000 0.217 251 D C 1.555 177.903 176.300 0.079 0.000 1.050 251 D CA 1.216 55.283 54.000 0.113 0.000 0.856 251 D CB 0.723 41.605 40.800 0.137 0.000 0.922 251 D HN 0.592 nan 8.370 nan 0.000 0.518 252 V N -1.964 117.986 119.914 0.061 0.000 3.605 252 V HA 0.309 4.428 4.120 -0.000 0.000 0.284 252 V C 0.893 177.000 176.094 0.022 0.000 1.386 252 V CA -0.313 62.010 62.300 0.038 0.000 1.053 252 V CB 0.002 31.844 31.823 0.031 0.000 0.857 252 V HN -0.128 nan 8.190 nan 0.000 0.436 253 I N 2.307 122.888 120.570 0.017 0.000 2.556 253 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 253 I C 0.164 176.287 176.117 0.009 0.000 1.114 253 I CA -0.360 60.942 61.300 0.002 0.000 1.418 253 I CB 1.353 39.342 38.000 -0.018 0.000 1.394 253 I HN 0.202 nan 8.210 nan 0.000 0.552 254 L N 7.714 128.939 121.223 0.003 0.000 2.462 254 L HA 0.043 4.382 4.340 -0.000 0.000 0.272 254 L C 0.546 177.419 176.870 0.006 0.000 1.166 254 L CA -0.080 54.763 54.840 0.006 0.000 0.880 254 L CB 0.182 42.242 42.059 0.002 0.000 1.142 254 L HN 0.566 nan 8.230 nan 0.000 0.473 255 D N 4.500 124.908 120.400 0.013 0.000 2.767 255 D HA -0.002 4.638 4.640 -0.000 0.000 0.231 255 D C -0.665 175.642 176.300 0.012 0.000 1.105 255 D CA 0.068 54.077 54.000 0.016 0.000 1.024 255 D CB -0.365 40.449 40.800 0.024 0.000 1.123 255 D HN 0.639 nan 8.370 nan 0.000 0.470 256 E N 0.396 120.599 120.200 0.006 0.000 2.267 256 E HA 0.462 4.812 4.350 -0.000 0.000 0.248 256 E C -0.803 175.798 176.600 0.000 0.000 0.899 256 E CA -0.853 55.553 56.400 0.009 0.000 0.764 256 E CB 1.734 31.439 29.700 0.008 0.000 1.227 256 E HN 0.372 nan 8.360 nan 0.000 0.421 257 A N 2.602 125.422 122.820 0.000 0.000 2.409 257 A HA 0.606 4.926 4.320 -0.000 0.000 0.267 257 A C 0.284 177.861 177.584 -0.012 0.000 1.127 257 A CA -0.157 51.863 52.037 -0.028 0.000 0.795 257 A CB 0.479 19.445 19.000 -0.057 0.000 1.061 257 A HN 0.649 nan 8.150 nan 0.000 0.502 258 A N 2.955 125.756 122.820 -0.030 0.000 2.240 258 A HA 0.740 5.060 4.320 -0.000 0.000 0.292 258 A C 0.141 177.714 177.584 -0.018 0.000 1.121 258 A CA -0.080 51.952 52.037 -0.008 0.000 0.851 258 A CB 0.321 19.311 19.000 -0.016 0.000 1.167 258 A HN 1.539 nan 8.150 nan 0.000 0.503 259 N N -2.263 116.452 118.700 0.025 0.000 2.636 259 N HA 0.334 5.074 4.740 -0.000 0.000 0.261 259 N C -1.249 174.279 175.510 0.030 0.000 1.195 259 N CA -0.719 52.369 53.050 0.063 0.000 0.902 259 N CB 1.351 39.956 38.487 0.198 0.000 1.627 259 N HN 0.376 nan 8.380 nan 0.000 0.491 260 K N 0.583 120.983 120.400 -0.001 0.000 2.514 260 K HA 0.340 4.660 4.320 -0.000 0.000 0.207 260 K C 0.583 177.014 176.600 -0.282 0.000 1.035 260 K CA 0.098 56.327 56.287 -0.098 0.000 1.113 260 K CB 0.695 33.147 32.500 -0.080 0.000 0.846 260 K HN 0.860 nan 8.250 nan 0.000 0.491 261 G N 1.207 109.809 108.800 -0.330 0.000 2.397 261 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.211 261 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.211 261 G C 1.260 175.483 174.900 -1.127 0.000 1.077 261 G CA 0.544 45.179 45.100 -0.775 0.000 0.649 261 G HN 0.336 nan 8.290 nan 0.000 0.511 262 T N -0.151 113.874 114.554 -0.883 0.000 2.881 262 T HA 0.210 4.560 4.350 -0.000 0.000 0.270 262 T C 2.403 176.825 174.700 -0.464 0.000 1.068 262 T CA 2.003 63.776 62.100 -0.544 0.000 1.131 262 T CB -0.567 68.142 68.868 -0.265 0.000 0.871 262 T HN 1.365 nan 8.240 nan 0.000 0.479 263 G N 1.809 110.138 108.800 -0.785 0.000 2.394 263 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 263 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 263 G C 1.490 176.095 174.900 -0.492 0.000 1.176 263 G CA 0.830 45.284 45.100 -1.076 0.000 0.786 263 G HN 0.635 nan 8.290 nan 0.000 0.533 264 K N -0.705 119.498 120.400 -0.329 0.000 2.063 264 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 264 K C 2.215 178.859 176.600 0.073 0.000 1.048 264 K CA 1.561 57.790 56.287 -0.096 0.000 0.928 264 K CB -0.316 32.200 32.500 0.027 0.000 0.713 264 K HN 0.347 nan 8.250 nan 0.000 0.442 265 W N 1.588 122.844 121.300 -0.074 0.000 2.363 265 W HA -0.063 4.597 4.660 -0.000 0.000 0.296 265 W C 2.262 178.781 176.519 0.000 0.000 1.212 265 W CA 1.304 58.659 57.345 0.017 0.000 1.260 265 W CB -1.270 28.262 29.460 0.120 0.000 1.131 265 W HN 0.168 nan 8.180 nan 0.000 0.530 266 T N -0.079 114.538 114.554 0.106 0.000 2.746 266 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 266 T C 2.020 176.717 174.700 -0.004 0.000 1.039 266 T CA 2.064 64.148 62.100 -0.025 0.000 1.142 266 T CB -0.467 68.306 68.868 -0.158 0.000 0.866 266 T HN -0.012 nan 8.240 nan 0.000 0.444 267 S N 1.349 117.019 115.700 -0.050 0.000 2.383 267 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 267 S C 2.206 176.828 174.600 0.037 0.000 1.026 267 S CA 0.854 59.021 58.200 -0.056 0.000 0.981 267 S CB -0.284 62.812 63.200 -0.172 0.000 0.818 267 S HN 0.541 nan 8.310 nan 0.000 0.472 268 Q N 0.533 120.393 119.800 0.100 0.000 2.170 268 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 268 Q C 2.389 178.500 176.000 0.186 0.000 0.976 268 Q CA 1.289 57.180 55.803 0.147 0.000 0.858 268 Q CB -0.243 28.602 28.738 0.177 0.000 0.907 268 Q HN 0.479 nan 8.270 nan 0.000 0.433 269 S N 0.209 116.044 115.700 0.225 0.000 2.368 269 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 269 S C 2.002 176.729 174.600 0.211 0.000 1.029 269 S CA 0.987 59.359 58.200 0.287 0.000 0.988 269 S CB -0.140 63.247 63.200 0.312 0.000 0.838 269 S HN 0.450 nan 8.310 nan 0.000 0.462 270 A N 1.459 124.361 122.820 0.137 0.000 1.908 270 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 270 A C 2.195 179.837 177.584 0.097 0.000 1.181 270 A CA 1.547 53.643 52.037 0.098 0.000 0.627 270 A CB -0.877 18.150 19.000 0.045 0.000 0.818 270 A HN 0.573 nan 8.150 nan 0.000 0.445 271 L N -0.560 120.722 121.223 0.099 0.000 2.083 271 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 271 L C 2.010 178.943 176.870 0.105 0.000 1.083 271 L CA 1.431 56.329 54.840 0.097 0.000 0.752 271 L CB -0.524 41.595 42.059 0.100 0.000 0.899 271 L HN 0.316 nan 8.230 nan 0.000 0.433 272 D N -0.145 120.335 120.400 0.133 0.000 2.178 272 D HA -0.091 4.548 4.640 -0.000 0.000 0.202 272 D C 2.174 178.536 176.300 0.103 0.000 0.974 272 D CA 1.173 55.254 54.000 0.134 0.000 0.841 272 D CB 0.120 41.041 40.800 0.201 0.000 0.953 272 D HN 0.318 nan 8.370 nan 0.000 0.478 273 L N -0.850 120.435 121.223 0.104 0.000 2.567 273 L HA 0.205 4.544 4.340 -0.000 0.000 0.225 273 L C 1.370 178.265 176.870 0.041 0.000 1.119 273 L CA 0.334 55.208 54.840 0.056 0.000 0.871 273 L CB 0.241 42.340 42.059 0.066 0.000 1.036 273 L HN 0.068 nan 8.230 nan 0.000 0.459 274 G N 0.140 108.975 108.800 0.057 0.000 2.137 274 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.237 274 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.237 274 G C -0.002 174.936 174.900 0.063 0.000 1.002 274 G CA -0.292 44.840 45.100 0.054 0.000 0.702 274 G HN 0.260 nan 8.290 nan 0.000 0.515 275 E N 0.707 120.947 120.200 0.067 0.000 2.197 275 E HA 0.372 4.722 4.350 -0.000 0.000 0.281 275 E C -2.171 174.473 176.600 0.073 0.000 0.995 275 E CA -1.862 54.580 56.400 0.070 0.000 0.808 275 E CB 1.770 31.504 29.700 0.058 0.000 1.093 275 E HN 0.185 nan 8.360 nan 0.000 0.394 276 P HA 0.138 nan 4.420 nan 0.000 0.231 276 P C -0.112 177.205 177.300 0.029 0.000 1.811 276 P CA -0.322 62.845 63.100 0.110 0.000 1.051 276 P CB -0.234 31.595 31.700 0.214 0.000 1.951 277 L N 2.380 123.596 121.223 -0.012 0.000 2.480 277 L HA 0.069 4.409 4.340 -0.000 0.000 0.243 277 L C 1.604 178.421 176.870 -0.089 0.000 1.315 277 L CA 0.233 55.023 54.840 -0.084 0.000 1.231 277 L CB -0.423 41.596 42.059 -0.066 0.000 1.444 277 L HN 0.132 nan 8.230 nan 0.000 0.409 278 S N 0.661 116.310 115.700 -0.085 0.000 2.387 278 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 278 S C 1.670 176.240 174.600 -0.049 0.000 1.026 278 S CA 0.586 58.767 58.200 -0.032 0.000 0.972 278 S CB -0.270 62.953 63.200 0.039 0.000 0.814 278 S HN 0.467 nan 8.310 nan 0.000 0.477 279 L N 1.252 122.423 121.223 -0.087 0.000 2.044 279 L HA 0.222 4.562 4.340 -0.000 0.000 0.205 279 L C 2.483 179.316 176.870 -0.063 0.000 1.075 279 L CA 1.332 56.144 54.840 -0.047 0.000 0.747 279 L CB -0.594 41.438 42.059 -0.046 0.000 0.903 279 L HN 0.289 nan 8.230 nan 0.000 0.435 280 I N -1.226 119.281 120.570 -0.106 0.000 2.226 280 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 280 I C 2.229 178.240 176.117 -0.177 0.000 1.100 280 I CA 1.417 62.642 61.300 -0.125 0.000 1.374 280 I CB -0.424 37.479 38.000 -0.162 0.000 1.057 280 I HN 0.274 nan 8.210 nan 0.000 0.413 281 T N -0.022 114.406 114.554 -0.210 0.000 2.746 281 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 281 T C 1.775 176.223 174.700 -0.419 0.000 1.039 281 T CA 1.088 62.965 62.100 -0.371 0.000 1.142 281 T CB -0.167 68.517 68.868 -0.308 0.000 0.866 281 T HN 0.267 nan 8.240 nan 0.000 0.444 282 E N 1.312 121.424 120.200 -0.146 0.000 2.204 282 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 282 E C 2.504 179.092 176.600 -0.021 0.000 0.989 282 E CA 0.605 57.009 56.400 0.006 0.000 0.824 282 E CB -0.350 29.398 29.700 0.080 0.000 0.756 282 E HN 0.415 nan 8.360 nan 0.000 0.477 283 S N 0.435 116.100 115.700 -0.058 0.000 2.383 283 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 283 S C 2.248 176.816 174.600 -0.053 0.000 1.026 283 S CA 0.832 59.020 58.200 -0.020 0.000 0.981 283 S CB -0.129 63.087 63.200 0.026 0.000 0.818 283 S HN 0.063 nan 8.310 nan 0.000 0.472 284 V N 1.279 121.088 119.914 -0.174 0.000 2.295 284 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 284 V C 1.980 177.767 176.094 -0.511 0.000 1.049 284 V CA 1.577 63.670 62.300 -0.345 0.000 1.024 284 V CB -0.824 30.656 31.823 -0.572 0.000 0.648 284 V HN 0.382 nan 8.190 nan 0.000 0.447 285 F N 0.893 120.634 119.950 -0.348 0.000 2.293 285 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 285 F C 2.386 178.139 175.800 -0.079 0.000 1.086 285 F CA 0.714 58.578 58.000 -0.226 0.000 1.375 285 F CB -1.326 37.638 39.000 -0.060 0.000 1.045 285 F HN 0.116 nan 8.300 nan 0.000 0.516 286 A N 0.095 122.979 122.820 0.106 0.000 1.930 286 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 286 A C 2.410 180.033 177.584 0.064 0.000 1.175 286 A CA 1.084 53.168 52.037 0.077 0.000 0.627 286 A CB -0.508 18.515 19.000 0.037 0.000 0.815 286 A HN 0.262 nan 8.150 nan 0.000 0.443 287 R N -1.522 118.991 120.500 0.022 0.000 2.075 287 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 287 R C 1.936 178.367 176.300 0.218 0.000 1.126 287 R CA 1.527 57.662 56.100 0.058 0.000 0.963 287 R CB -0.498 29.808 30.300 0.010 0.000 0.858 287 R HN 0.606 nan 8.270 nan 0.000 0.435 288 Y N 0.770 121.133 120.300 0.106 0.000 2.181 288 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 288 Y C 2.212 178.149 175.900 0.061 0.000 1.146 288 Y CA 0.301 58.460 58.100 0.099 0.000 1.164 288 Y CB -0.701 37.860 38.460 0.168 0.000 0.982 288 Y HN 0.057 nan 8.280 nan 0.000 0.515 289 I N -0.103 120.604 120.570 0.228 0.000 2.546 289 I HA -0.252 3.918 4.170 -0.000 0.000 0.255 289 I C 2.367 178.533 176.117 0.082 0.000 1.163 289 I CA 1.339 62.711 61.300 0.119 0.000 1.457 289 I CB -0.206 37.844 38.000 0.084 0.000 1.092 289 I HN 0.257 nan 8.210 nan 0.000 0.434 290 S N -0.714 115.036 115.700 0.084 0.000 2.419 290 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 290 S C 1.912 176.541 174.600 0.048 0.000 1.016 290 S CA 1.428 59.659 58.200 0.052 0.000 0.974 290 S CB -0.466 62.758 63.200 0.040 0.000 0.786 290 S HN 0.405 nan 8.310 nan 0.000 0.492 291 S N 1.375 117.115 115.700 0.068 0.000 2.515 291 S HA 0.271 4.741 4.470 -0.000 0.000 0.231 291 S C 0.828 175.443 174.600 0.025 0.000 0.987 291 S CA 0.369 58.595 58.200 0.044 0.000 0.936 291 S CB -0.413 62.819 63.200 0.054 0.000 0.766 291 S HN 0.516 nan 8.310 nan 0.000 0.528 292 L N 1.744 122.984 121.223 0.029 0.000 2.990 292 L HA 0.270 4.610 4.340 -0.000 0.000 0.231 292 L C 1.544 178.421 176.870 0.010 0.000 1.341 292 L CA -0.301 54.547 54.840 0.014 0.000 1.208 292 L CB -0.012 42.056 42.059 0.015 0.000 1.571 292 L HN 0.047 nan 8.230 nan 0.000 0.453 293 K N 0.854 121.259 120.400 0.010 0.000 2.032 293 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 293 K C 1.432 178.033 176.600 0.003 0.000 1.048 293 K CA 1.836 58.127 56.287 0.007 0.000 0.927 293 K CB 0.111 32.615 32.500 0.007 0.000 0.712 293 K HN 0.267 nan 8.250 nan 0.000 0.441 294 D N 0.297 120.698 120.400 0.001 0.000 2.117 294 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 294 D C 2.003 178.301 176.300 -0.002 0.000 0.987 294 D CA 1.133 55.132 54.000 -0.001 0.000 0.829 294 D CB -0.137 40.661 40.800 -0.003 0.000 0.961 294 D HN 0.417 nan 8.370 nan 0.000 0.460 295 Q N 0.149 119.948 119.800 -0.002 0.000 2.084 295 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 295 Q C 2.302 178.301 176.000 -0.002 0.000 0.978 295 Q CA 0.997 56.798 55.803 -0.003 0.000 0.844 295 Q CB 0.027 28.762 28.738 -0.004 0.000 0.898 295 Q HN 0.268 nan 8.270 nan 0.000 0.426 296 R N -0.286 120.214 120.500 0.000 0.000 2.092 296 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 296 R C 2.311 178.610 176.300 -0.002 0.000 1.119 296 R CA 1.097 57.197 56.100 -0.001 0.000 0.970 296 R CB -0.260 30.041 30.300 0.002 0.000 0.864 296 R HN 0.093 nan 8.270 nan 0.000 0.440 297 V N 1.127 121.040 119.914 -0.002 0.000 2.358 297 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 297 V C 2.451 178.543 176.094 -0.003 0.000 1.047 297 V CA 1.951 64.250 62.300 -0.002 0.000 1.035 297 V CB -0.622 31.200 31.823 -0.001 0.000 0.658 297 V HN 0.394 nan 8.190 nan 0.000 0.452 298 A N 0.068 122.885 122.820 -0.004 0.000 1.877 298 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 298 A C 2.423 180.004 177.584 -0.005 0.000 1.186 298 A CA 2.114 54.148 52.037 -0.005 0.000 0.620 298 A CB -0.843 18.154 19.000 -0.005 0.000 0.822 298 A HN 0.570 nan 8.150 nan 0.000 0.443 299 A N 0.291 123.107 122.820 -0.006 0.000 1.972 299 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 299 A C 2.449 180.029 177.584 -0.007 0.000 1.169 299 A CA 2.226 54.258 52.037 -0.007 0.000 0.635 299 A CB -0.978 18.017 19.000 -0.007 0.000 0.810 299 A HN 1.091 nan 8.150 nan 0.000 0.446 300 S N -0.188 115.508 115.700 -0.007 0.000 2.442 300 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 300 S C 1.549 176.145 174.600 -0.008 0.000 1.007 300 S CA 1.512 59.707 58.200 -0.008 0.000 0.965 300 S CB -0.310 62.885 63.200 -0.008 0.000 0.773 300 S HN 0.628 nan 8.310 nan 0.000 0.504 301 K N 0.572 120.968 120.400 -0.007 0.000 2.400 301 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 301 K C 1.642 178.238 176.600 -0.007 0.000 1.033 301 K CA 0.810 57.093 56.287 -0.007 0.000 1.021 301 K CB 0.449 32.946 32.500 -0.005 0.000 0.808 301 K HN 0.529 nan 8.250 nan 0.000 0.505 302 V N -2.902 117.007 119.914 -0.007 0.000 3.473 302 V HA 0.250 4.370 4.120 -0.000 0.000 0.253 302 V C 0.494 176.583 176.094 -0.008 0.000 1.340 302 V CA -0.408 61.887 62.300 -0.008 0.000 1.103 302 V CB -0.091 31.727 31.823 -0.007 0.000 0.881 302 V HN -0.056 nan 8.190 nan 0.000 0.451 303 L N 3.116 124.333 121.223 -0.009 0.000 2.375 303 L HA 0.604 4.943 4.340 -0.000 0.000 0.271 303 L C 0.618 177.481 176.870 -0.011 0.000 1.107 303 L CA 0.159 54.992 54.840 -0.010 0.000 0.806 303 L CB 1.501 43.553 42.059 -0.010 0.000 1.146 303 L HN 0.488 nan 8.230 nan 0.000 0.447 304 S N 0.695 116.388 115.700 -0.012 0.000 2.687 304 S HA 0.912 5.382 4.470 -0.000 0.000 0.283 304 S C -0.150 174.441 174.600 -0.016 0.000 1.170 304 S CA -0.311 57.881 58.200 -0.013 0.000 1.008 304 S CB 2.111 65.304 63.200 -0.012 0.000 1.026 304 S HN 0.866 nan 8.310 nan 0.000 0.541 305 G N 0.345 109.134 108.800 -0.018 0.000 2.608 305 G HA2 0.650 4.610 3.960 -0.000 0.000 0.291 305 G HA3 0.650 4.610 3.960 -0.000 0.000 0.291 305 G C -3.095 171.789 174.900 -0.026 0.000 1.425 305 G CA -1.057 44.030 45.100 -0.023 0.000 0.787 305 G HN 0.741 nan 8.290 nan 0.000 0.484 306 P HA 0.390 nan 4.420 nan 0.000 0.279 306 P C -0.931 176.342 177.300 -0.044 0.000 1.276 306 P CA -0.377 62.700 63.100 -0.040 0.000 0.801 306 P CB 1.201 32.870 31.700 -0.051 0.000 1.127 307 Q N -0.143 119.630 119.800 -0.045 0.000 2.180 307 Q HA 0.574 4.913 4.340 -0.000 0.000 0.241 307 Q C -0.454 175.507 176.000 -0.065 0.000 0.970 307 Q CA -1.041 54.736 55.803 -0.044 0.000 0.919 307 Q CB 0.502 29.221 28.738 -0.032 0.000 1.222 307 Q HN 0.539 nan 8.270 nan 0.000 0.482 308 A N 1.958 124.745 122.820 -0.055 0.000 2.511 308 A HA 0.164 4.484 4.320 -0.000 0.000 0.242 308 A C 0.219 177.770 177.584 -0.054 0.000 1.069 308 A CA -0.278 51.717 52.037 -0.069 0.000 0.763 308 A CB 0.125 19.128 19.000 0.004 0.000 1.001 308 A HN 0.622 nan 8.150 nan 0.000 0.498 309 Q N 0.789 120.516 119.800 -0.123 0.000 2.237 309 Q HA 0.353 4.692 4.340 -0.000 0.000 0.219 309 Q C -2.341 173.773 176.000 0.191 0.000 0.999 309 Q CA -1.908 53.887 55.803 -0.013 0.000 0.959 309 Q CB -0.418 28.262 28.738 -0.097 0.000 1.173 309 Q HN 0.465 nan 8.270 nan 0.000 0.527 310 P HA 0.053 nan 4.420 nan 0.000 0.267 310 P C -0.456 176.945 177.300 0.168 0.000 1.209 310 P CA 0.288 63.459 63.100 0.118 0.000 0.763 310 P CB 0.526 32.268 31.700 0.069 0.000 0.816 311 A N 3.667 126.459 122.820 -0.046 0.000 2.072 311 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 311 A C 1.256 178.749 177.584 -0.151 0.000 1.156 311 A CA 1.170 52.991 52.037 -0.361 0.000 0.701 311 A CB -1.153 17.259 19.000 -0.980 0.000 0.816 311 A HN 0.733 nan 8.150 nan 0.000 0.458 312 G N -0.301 108.452 108.800 -0.079 0.000 2.584 312 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.229 312 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.229 312 G C -0.326 174.551 174.900 -0.038 0.000 1.320 312 G CA 0.023 45.107 45.100 -0.026 0.000 0.891 312 G HN 0.752 nan 8.290 nan 0.000 0.573 313 D N 0.171 120.570 120.400 -0.003 0.000 2.487 313 D HA 0.256 4.896 4.640 -0.000 0.000 0.243 313 D C 1.566 177.873 176.300 0.012 0.000 1.154 313 D CA 0.902 54.901 54.000 -0.001 0.000 0.876 313 D CB 0.817 41.622 40.800 0.009 0.000 1.161 313 D HN 0.683 nan 8.370 nan 0.000 0.478 314 K N 3.332 123.724 120.400 -0.013 0.000 2.009 314 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 314 K C 1.818 178.447 176.600 0.048 0.000 1.049 314 K CA 1.381 57.663 56.287 -0.008 0.000 0.929 314 K CB -0.177 32.299 32.500 -0.040 0.000 0.714 314 K HN 0.539 nan 8.250 nan 0.000 0.440 315 A N 1.218 124.053 122.820 0.025 0.000 1.908 315 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 315 A C 1.871 179.480 177.584 0.041 0.000 1.181 315 A CA 1.850 53.905 52.037 0.030 0.000 0.627 315 A CB -0.508 18.499 19.000 0.011 0.000 0.818 315 A HN 0.518 nan 8.150 nan 0.000 0.445 316 E N -1.595 118.628 120.200 0.038 0.000 2.072 316 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 316 E C 1.768 178.387 176.600 0.032 0.000 0.985 316 E CA 1.149 57.560 56.400 0.019 0.000 0.801 316 E CB -0.250 29.459 29.700 0.015 0.000 0.750 316 E HN 0.700 nan 8.360 nan 0.000 0.452 317 F N 1.479 121.381 119.950 -0.081 0.000 2.102 317 F HA -0.182 4.344 4.527 -0.000 0.000 0.298 317 F C 2.052 177.820 175.800 -0.053 0.000 1.105 317 F CA 1.332 59.268 58.000 -0.108 0.000 1.239 317 F CB -0.065 38.842 39.000 -0.155 0.000 0.991 317 F HN -0.091 nan 8.300 nan 0.000 0.474 318 I N 0.166 120.856 120.570 0.201 0.000 2.208 318 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 318 I C 2.336 178.529 176.117 0.127 0.000 1.097 318 I CA 1.792 63.208 61.300 0.194 0.000 1.363 318 I CB -0.496 37.601 38.000 0.162 0.000 1.051 318 I HN 0.188 nan 8.210 nan 0.000 0.413 319 E N 1.484 121.692 120.200 0.014 0.000 2.150 319 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 319 E C 2.031 178.477 176.600 -0.257 0.000 0.985 319 E CA 1.477 57.810 56.400 -0.111 0.000 0.814 319 E CB -0.011 29.624 29.700 -0.107 0.000 0.752 319 E HN 0.289 nan 8.360 nan 0.000 0.466 320 K N -0.404 119.842 120.400 -0.256 0.000 2.097 320 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 320 K C 2.073 178.459 176.600 -0.357 0.000 1.050 320 K CA 1.238 57.330 56.287 -0.325 0.000 0.938 320 K CB -0.025 32.280 32.500 -0.325 0.000 0.718 320 K HN 0.038 nan 8.250 nan 0.000 0.442 321 V N 1.398 121.109 119.914 -0.339 0.000 2.343 321 V HA -0.234 3.885 4.120 -0.000 0.000 0.247 321 V C 2.388 178.290 176.094 -0.320 0.000 1.051 321 V CA 1.594 63.776 62.300 -0.197 0.000 1.036 321 V CB -0.493 31.324 31.823 -0.009 0.000 0.654 321 V HN 0.316 nan 8.190 nan 0.000 0.451 322 R N 0.022 120.196 120.500 -0.543 0.000 2.091 322 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 322 R C 2.565 178.449 176.300 -0.693 0.000 1.136 322 R CA 1.733 57.175 56.100 -1.097 0.000 0.959 322 R CB -0.153 29.447 30.300 -1.166 0.000 0.856 322 R HN 0.437 nan 8.270 nan 0.000 0.437 323 R N -0.368 119.758 120.500 -0.624 0.000 2.075 323 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 323 R C 2.328 178.413 176.300 -0.358 0.000 1.126 323 R CA 1.272 56.962 56.100 -0.684 0.000 0.963 323 R CB -0.271 29.455 30.300 -0.956 0.000 0.858 323 R HN 0.246 nan 8.270 nan 0.000 0.435 324 A N 1.282 123.852 122.820 -0.417 0.000 1.902 324 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 324 A C 2.064 179.249 177.584 -0.666 0.000 1.181 324 A CA 1.096 52.807 52.037 -0.544 0.000 0.623 324 A CB -0.474 18.148 19.000 -0.629 0.000 0.818 324 A HN 0.244 nan 8.150 nan 0.000 0.443 325 L N -1.583 119.361 121.223 -0.466 0.000 2.017 325 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 325 L C 2.267 179.060 176.870 -0.128 0.000 1.073 325 L CA 2.344 57.060 54.840 -0.206 0.000 0.745 325 L CB -1.010 41.015 42.059 -0.057 0.000 0.894 325 L HN 0.517 nan 8.230 nan 0.000 0.432 326 Y N -1.121 119.031 120.300 -0.247 0.000 2.181 326 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 326 Y C 2.391 178.235 175.900 -0.093 0.000 1.146 326 Y CA 1.689 59.700 58.100 -0.148 0.000 1.164 326 Y CB 0.024 38.479 38.460 -0.008 0.000 0.982 326 Y HN 0.313 nan 8.280 nan 0.000 0.515 327 L N 0.145 121.348 121.223 -0.034 0.000 2.141 327 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 327 L C 2.356 179.126 176.870 -0.168 0.000 1.094 327 L CA 2.073 56.846 54.840 -0.112 0.000 0.763 327 L CB -1.239 40.779 42.059 -0.068 0.000 0.908 327 L HN 0.264 nan 8.230 nan 0.000 0.437 328 G N -0.706 107.962 108.800 -0.220 0.000 2.418 328 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 328 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 328 G C 1.709 176.565 174.900 -0.073 0.000 1.158 328 G CA 0.760 45.770 45.100 -0.149 0.000 0.771 328 G HN 0.383 nan 8.290 nan 0.000 0.545 329 K N -0.137 120.179 120.400 -0.140 0.000 2.026 329 K HA 0.019 4.338 4.320 -0.000 0.000 0.208 329 K C 2.464 179.018 176.600 -0.076 0.000 1.048 329 K CA 0.969 57.170 56.287 -0.144 0.000 0.929 329 K CB -0.282 31.903 32.500 -0.524 0.000 0.713 329 K HN 0.313 nan 8.250 nan 0.000 0.439 330 I N 0.751 121.207 120.570 -0.191 0.000 2.194 330 I HA -0.322 3.848 4.170 -0.000 0.000 0.246 330 I C 2.232 178.332 176.117 -0.029 0.000 1.093 330 I CA 1.197 62.467 61.300 -0.051 0.000 1.355 330 I CB -0.270 37.679 38.000 -0.084 0.000 1.046 330 I HN -0.036 nan 8.210 nan 0.000 0.413 331 V N -0.413 119.491 119.914 -0.016 0.000 2.358 331 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 331 V C 2.554 178.607 176.094 -0.069 0.000 1.047 331 V CA 2.163 64.460 62.300 -0.005 0.000 1.035 331 V CB -0.453 31.395 31.823 0.041 0.000 0.658 331 V HN 0.454 nan 8.190 nan 0.000 0.452 332 S N -1.189 114.513 115.700 0.004 0.000 2.368 332 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 332 S C 1.965 176.585 174.600 0.034 0.000 1.030 332 S CA 1.681 59.874 58.200 -0.013 0.000 0.999 332 S CB -0.356 62.868 63.200 0.040 0.000 0.844 332 S HN 0.617 nan 8.310 nan 0.000 0.459 333 Y N 1.563 121.866 120.300 0.006 0.000 2.314 333 Y HA 0.164 4.714 4.550 -0.000 0.000 0.293 333 Y C 2.629 178.564 175.900 0.059 0.000 1.129 333 Y CA 0.460 58.629 58.100 0.116 0.000 1.201 333 Y CB -0.912 37.645 38.460 0.162 0.000 0.999 333 Y HN 0.353 nan 8.280 nan 0.000 0.541 334 A N -0.058 122.793 122.820 0.052 0.000 1.902 334 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 334 A C 2.122 179.683 177.584 -0.038 0.000 1.181 334 A CA 1.824 53.836 52.037 -0.042 0.000 0.623 334 A CB -0.663 18.287 19.000 -0.083 0.000 0.818 334 A HN 0.514 nan 8.150 nan 0.000 0.443 335 Q N -0.878 118.834 119.800 -0.148 0.000 2.084 335 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 335 Q C 2.223 178.178 176.000 -0.075 0.000 0.978 335 Q CA 1.256 56.938 55.803 -0.201 0.000 0.844 335 Q CB -0.421 28.104 28.738 -0.355 0.000 0.898 335 Q HN 0.688 nan 8.270 nan 0.000 0.426 336 G N -0.156 108.621 108.800 -0.038 0.000 2.402 336 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 336 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 336 G C 1.003 175.885 174.900 -0.029 0.000 1.162 336 G CA 0.314 45.383 45.100 -0.052 0.000 0.777 336 G HN 0.202 nan 8.290 nan 0.000 0.539 337 F N 1.099 121.031 119.950 -0.030 0.000 2.325 337 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 337 F C 2.976 178.718 175.800 -0.098 0.000 1.090 337 F CA 1.141 59.128 58.000 -0.020 0.000 1.392 337 F CB -0.133 38.856 39.000 -0.019 0.000 1.053 337 F HN 0.210 nan 8.300 nan 0.000 0.521 338 S N -0.429 115.299 115.700 0.047 0.000 2.383 338 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 338 S C 2.122 176.716 174.600 -0.011 0.000 1.026 338 S CA 1.443 59.635 58.200 -0.014 0.000 0.981 338 S CB -0.326 62.874 63.200 0.001 0.000 0.818 338 S HN 0.551 nan 8.310 nan 0.000 0.472 339 Q N 0.184 119.989 119.800 0.008 0.000 2.119 339 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 339 Q C 2.123 178.171 176.000 0.080 0.000 0.972 339 Q CA 1.416 57.248 55.803 0.048 0.000 0.847 339 Q CB -0.243 28.530 28.738 0.059 0.000 0.903 339 Q HN 0.582 nan 8.270 nan 0.000 0.433 340 L N 0.109 121.364 121.223 0.053 0.000 2.079 340 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 340 L C 2.648 179.626 176.870 0.181 0.000 1.081 340 L CA 1.399 56.321 54.840 0.137 0.000 0.752 340 L CB -0.319 41.784 42.059 0.074 0.000 0.896 340 L HN 0.228 nan 8.230 nan 0.000 0.433 341 R N -0.313 120.194 120.500 0.012 0.000 2.075 341 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 341 R C 2.443 178.755 176.300 0.021 0.000 1.126 341 R CA 1.234 57.331 56.100 -0.005 0.000 0.963 341 R CB -0.467 29.705 30.300 -0.213 0.000 0.858 341 R HN 0.331 nan 8.270 nan 0.000 0.435 342 A N 1.267 124.079 122.820 -0.014 0.000 1.933 342 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 342 A C 2.335 179.842 177.584 -0.128 0.000 1.175 342 A CA 1.668 53.675 52.037 -0.050 0.000 0.628 342 A CB -0.524 18.464 19.000 -0.020 0.000 0.814 342 A HN 0.395 nan 8.150 nan 0.000 0.444 343 A N -0.988 121.763 122.820 -0.115 0.000 1.929 343 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 343 A C 2.448 179.846 177.584 -0.310 0.000 1.176 343 A CA 1.922 53.791 52.037 -0.281 0.000 0.628 343 A CB -0.901 17.748 19.000 -0.586 0.000 0.816 343 A HN 0.542 nan 8.150 nan 0.000 0.444 344 S N -0.526 115.153 115.700 -0.035 0.000 2.370 344 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 344 S C 2.051 176.569 174.600 -0.137 0.000 1.033 344 S CA 1.972 60.207 58.200 0.059 0.000 1.011 344 S CB -0.290 63.055 63.200 0.241 0.000 0.852 344 S HN 0.603 nan 8.310 nan 0.000 0.457 345 E N 1.021 121.144 120.200 -0.128 0.000 2.047 345 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 345 E C 1.955 178.373 176.600 -0.304 0.000 0.987 345 E CA 1.718 58.023 56.400 -0.159 0.000 0.799 345 E CB -0.437 29.200 29.700 -0.104 0.000 0.752 345 E HN 0.583 nan 8.360 nan 0.000 0.449 346 E N -0.933 118.985 120.200 -0.470 0.000 2.051 346 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 346 E C 1.120 177.190 176.600 -0.882 0.000 0.991 346 E CA 1.379 57.354 56.400 -0.708 0.000 0.799 346 E CB -0.309 28.804 29.700 -0.979 0.000 0.748 346 E HN 0.434 nan 8.360 nan 0.000 0.449 347 Y N 0.553 120.428 120.300 -0.708 0.000 2.457 347 Y HA 0.297 4.847 4.550 -0.000 0.000 0.263 347 Y C -0.020 175.296 175.900 -0.974 0.000 1.164 347 Y CA 0.165 57.664 58.100 -1.002 0.000 1.274 347 Y CB -0.031 37.318 38.460 -1.852 0.000 1.097 347 Y HN -0.041 nan 8.280 nan 0.000 0.523 348 N N -0.706 117.667 118.700 -0.545 0.000 2.726 348 N HA -0.204 4.536 4.740 -0.000 0.000 0.253 348 N C -0.345 175.123 175.510 -0.069 0.000 1.059 348 N CA 0.747 53.652 53.050 -0.240 0.000 0.701 348 N CB -1.489 36.913 38.487 -0.142 0.000 0.899 348 N HN 0.495 nan 8.380 nan 0.000 0.548 349 W N 0.043 121.329 121.300 -0.023 0.000 2.993 349 W HA 0.156 4.816 4.660 -0.000 0.000 0.290 349 W C 1.035 177.502 176.519 -0.087 0.000 1.203 349 W CA 0.315 57.624 57.345 -0.060 0.000 1.582 349 W CB -0.183 29.218 29.460 -0.100 0.000 1.033 349 W HN 0.250 nan 8.180 nan 0.000 0.594 350 D N 1.134 121.614 120.400 0.133 0.000 2.697 350 D HA -0.193 4.447 4.640 -0.000 0.000 0.235 350 D C 0.068 176.329 176.300 -0.066 0.000 1.167 350 D CA 0.474 54.498 54.000 0.041 0.000 0.656 350 D CB -1.173 39.650 40.800 0.038 0.000 1.025 350 D HN 0.012 nan 8.370 nan 0.000 0.419 351 L N 0.282 121.426 121.223 -0.132 0.000 2.506 351 L HA 0.046 4.386 4.340 -0.000 0.000 0.281 351 L C 1.355 177.814 176.870 -0.686 0.000 1.228 351 L CA 0.212 54.814 54.840 -0.396 0.000 0.850 351 L CB 0.266 42.062 42.059 -0.438 0.000 1.110 351 L HN 0.219 nan 8.230 nan 0.000 0.496 352 N N 1.585 119.965 118.700 -0.534 0.000 2.609 352 N HA 0.090 4.830 4.740 -0.000 0.000 0.234 352 N C 0.402 175.679 175.510 -0.388 0.000 1.001 352 N CA -0.249 52.561 53.050 -0.401 0.000 0.926 352 N CB 0.596 38.962 38.487 -0.201 0.000 1.130 352 N HN 0.359 nan 8.380 nan 0.000 0.510 353 Y N 1.687 122.030 120.300 0.072 0.000 2.207 353 Y HA -0.024 4.526 4.550 -0.000 0.000 0.287 353 Y C 2.329 178.337 175.900 0.179 0.000 1.156 353 Y CA 1.467 59.673 58.100 0.178 0.000 1.182 353 Y CB -0.513 38.113 38.460 0.276 0.000 0.979 353 Y HN 0.555 nan 8.280 nan 0.000 0.521 354 G N -0.250 108.656 108.800 0.177 0.000 2.408 354 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 354 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 354 G C 1.499 176.417 174.900 0.031 0.000 1.150 354 G CA 0.891 46.049 45.100 0.096 0.000 0.776 354 G HN 0.423 nan 8.290 nan 0.000 0.542 355 E N -0.130 120.056 120.200 -0.022 0.000 2.107 355 E HA -0.002 4.348 4.350 -0.000 0.000 0.191 355 E C 2.483 179.006 176.600 -0.129 0.000 0.982 355 E CA 0.279 56.636 56.400 -0.072 0.000 0.809 355 E CB -0.076 29.564 29.700 -0.100 0.000 0.756 355 E HN 0.469 nan 8.360 nan 0.000 0.459 356 I N 1.197 121.679 120.570 -0.146 0.000 2.179 356 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 356 I C 2.565 178.465 176.117 -0.362 0.000 1.088 356 I CA 1.003 62.113 61.300 -0.316 0.000 1.357 356 I CB -0.282 37.581 38.000 -0.228 0.000 1.051 356 I HN 0.072 nan 8.210 nan 0.000 0.409 357 A N 0.611 123.456 122.820 0.041 0.000 1.902 357 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 357 A C 2.380 179.999 177.584 0.059 0.000 1.181 357 A CA 1.981 54.118 52.037 0.167 0.000 0.623 357 A CB -0.582 18.508 19.000 0.151 0.000 0.818 357 A HN 0.373 nan 8.150 nan 0.000 0.443 358 K N 0.321 120.719 120.400 -0.003 0.000 2.063 358 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 358 K C 1.744 178.349 176.600 0.007 0.000 1.048 358 K CA 1.858 58.148 56.287 0.006 0.000 0.928 358 K CB -0.440 32.053 32.500 -0.012 0.000 0.713 358 K HN 0.703 nan 8.250 nan 0.000 0.442 359 I N -2.373 118.146 120.570 -0.085 0.000 3.444 359 I HA 0.004 4.174 4.170 -0.000 0.000 0.287 359 I C 0.537 176.738 176.117 0.141 0.000 1.302 359 I CA 0.367 61.648 61.300 -0.032 0.000 1.368 359 I CB -0.063 37.873 38.000 -0.106 0.000 1.048 359 I HN -0.093 nan 8.210 nan 0.000 0.487 360 F N 1.741 121.769 119.950 0.130 0.000 2.727 360 F HA 0.320 4.847 4.527 -0.000 0.000 0.302 360 F C 2.141 178.041 175.800 0.168 0.000 1.097 360 F CA -0.255 57.852 58.000 0.177 0.000 1.330 360 F CB -0.611 38.557 39.000 0.280 0.000 1.084 360 F HN 0.033 nan 8.300 nan 0.000 0.578 361 R N 0.151 120.824 120.500 0.288 0.000 2.237 361 R HA 0.219 4.559 4.340 -0.000 0.000 0.219 361 R C 0.702 177.105 176.300 0.172 0.000 1.080 361 R CA 0.883 57.106 56.100 0.206 0.000 0.995 361 R CB 0.028 30.408 30.300 0.133 0.000 0.875 361 R HN 0.171 nan 8.270 nan 0.000 0.462 362 A N -1.920 120.996 122.820 0.159 0.000 2.567 362 A HA 0.625 4.945 4.320 -0.000 0.000 0.289 362 A C 0.529 178.166 177.584 0.089 0.000 1.177 362 A CA -0.176 51.925 52.037 0.107 0.000 0.694 362 A CB 0.861 19.907 19.000 0.078 0.000 1.292 362 A HN 0.145 nan 8.150 nan 0.000 0.425 363 G N -1.071 107.743 108.800 0.024 0.000 5.229 363 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.250 363 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.250 363 G C 1.373 176.233 174.900 -0.067 0.000 1.380 363 G CA 0.994 46.086 45.100 -0.014 0.000 0.933 363 G HN 2.555 nan 8.290 nan 0.000 0.731 364 C N 1.966 121.257 119.300 -0.015 0.000 2.705 364 C HA 0.649 5.109 4.460 -0.000 0.000 0.365 364 C C 2.272 177.251 174.990 -0.019 0.000 1.353 364 C CA -0.260 58.709 59.018 -0.083 0.000 2.339 364 C CB -0.312 27.351 27.740 -0.128 0.000 2.576 364 C HN 0.562 nan 8.230 nan 0.000 0.716 365 I N 1.853 122.475 120.570 0.086 0.000 2.394 365 I HA -0.124 4.045 4.170 -0.000 0.000 0.251 365 I C 2.172 178.441 176.117 0.253 0.000 1.136 365 I CA 1.765 63.162 61.300 0.161 0.000 1.425 365 I CB -0.993 37.157 38.000 0.251 0.000 1.079 365 I HN 0.846 nan 8.210 nan 0.000 0.425 366 I N 0.394 121.117 120.570 0.256 0.000 3.680 366 I HA 0.036 4.206 4.170 -0.000 0.000 0.306 366 I C 1.195 177.471 176.117 0.265 0.000 1.260 366 I CA -0.340 61.075 61.300 0.191 0.000 1.201 366 I CB -0.605 37.422 38.000 0.045 0.000 1.009 366 I HN 0.126 nan 8.210 nan 0.000 0.467 367 R N 2.371 123.016 120.500 0.242 0.000 2.585 367 R HA 0.551 4.891 4.340 -0.000 0.000 0.275 367 R C -0.452 176.005 176.300 0.262 0.000 1.018 367 R CA 0.401 56.647 56.100 0.244 0.000 1.072 367 R CB 0.144 30.544 30.300 0.166 0.000 0.953 367 R HN 0.341 nan 8.270 nan 0.000 0.419 368 A N 2.142 125.119 122.820 0.261 0.000 2.590 368 A HA 0.077 4.397 4.320 -0.000 0.000 0.294 368 A C 0.273 178.002 177.584 0.242 0.000 1.046 368 A CA -0.554 51.635 52.037 0.255 0.000 0.684 368 A CB 1.296 20.466 19.000 0.284 0.000 1.279 368 A HN 0.904 nan 8.150 nan 0.000 0.415 369 Q N 0.444 120.371 119.800 0.212 0.000 2.291 369 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 369 Q C 1.274 177.390 176.000 0.194 0.000 0.976 369 Q CA 2.003 57.905 55.803 0.166 0.000 0.875 369 Q CB -0.497 28.316 28.738 0.124 0.000 0.927 369 Q HN 0.895 nan 8.270 nan 0.000 0.450 370 F N 1.952 121.961 119.950 0.098 0.000 2.147 370 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 370 F C 1.697 177.520 175.800 0.038 0.000 1.084 370 F CA 1.171 59.221 58.000 0.083 0.000 1.268 370 F CB -0.072 38.955 39.000 0.045 0.000 1.009 370 F HN 0.086 nan 8.300 nan 0.000 0.486 371 L N 0.070 121.352 121.223 0.100 0.000 2.265 371 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 371 L C 2.325 179.166 176.870 -0.048 0.000 1.117 371 L CA 1.518 56.373 54.840 0.025 0.000 0.782 371 L CB -1.593 40.608 42.059 0.238 0.000 0.914 371 L HN 0.309 nan 8.230 nan 0.000 0.441 372 Q N 0.281 120.056 119.800 -0.042 0.000 2.119 372 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 372 Q C 2.104 177.999 176.000 -0.175 0.000 0.972 372 Q CA 1.438 57.195 55.803 -0.077 0.000 0.847 372 Q CB 0.117 28.818 28.738 -0.062 0.000 0.903 372 Q HN 0.184 nan 8.270 nan 0.000 0.433 373 K N 0.131 120.360 120.400 -0.285 0.000 2.097 373 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 373 K C 2.098 178.556 176.600 -0.237 0.000 1.049 373 K CA 1.238 57.255 56.287 -0.449 0.000 0.933 373 K CB -0.378 31.688 32.500 -0.724 0.000 0.717 373 K HN 0.369 nan 8.250 nan 0.000 0.442 374 I N 1.006 121.467 120.570 -0.182 0.000 2.252 374 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 374 I C 2.098 178.149 176.117 -0.110 0.000 1.102 374 I CA 1.217 62.431 61.300 -0.145 0.000 1.385 374 I CB -0.650 37.108 38.000 -0.402 0.000 1.064 374 I HN 0.126 nan 8.210 nan 0.000 0.414 375 T N 0.351 114.852 114.554 -0.089 0.000 2.684 375 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 375 T C 1.500 176.176 174.700 -0.039 0.000 1.036 375 T CA 1.704 63.781 62.100 -0.039 0.000 1.148 375 T CB -0.341 68.512 68.868 -0.026 0.000 0.863 375 T HN 0.313 nan 8.240 nan 0.000 0.436 376 D N 1.324 121.677 120.400 -0.077 0.000 2.117 376 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 376 D C 2.371 178.644 176.300 -0.045 0.000 0.987 376 D CA 1.292 55.245 54.000 -0.078 0.000 0.829 376 D CB -0.539 40.175 40.800 -0.144 0.000 0.961 376 D HN 0.419 nan 8.370 nan 0.000 0.460 377 A N 0.237 123.038 122.820 -0.031 0.000 1.933 377 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 377 A C 2.486 180.096 177.584 0.043 0.000 1.175 377 A CA 1.202 53.258 52.037 0.032 0.000 0.628 377 A CB -0.806 18.287 19.000 0.155 0.000 0.814 377 A HN 0.349 nan 8.150 nan 0.000 0.444 378 C N -1.226 118.097 119.300 0.038 0.000 2.450 378 C HA 0.208 4.667 4.460 -0.000 0.000 0.279 378 C C 3.263 178.292 174.990 0.065 0.000 1.335 378 C CA 0.424 59.487 59.018 0.074 0.000 1.749 378 C CB -1.163 26.643 27.740 0.111 0.000 1.963 378 C HN 0.703 nan 8.230 nan 0.000 0.501 379 A N 0.721 123.562 122.820 0.034 0.000 1.898 379 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 379 A C 2.078 179.677 177.584 0.025 0.000 1.181 379 A CA 1.501 53.553 52.037 0.025 0.000 0.620 379 A CB -0.376 18.627 19.000 0.005 0.000 0.819 379 A HN 0.545 nan 8.150 nan 0.000 0.442 380 E N -0.365 119.847 120.200 0.020 0.000 2.152 380 E HA -0.086 4.263 4.350 -0.000 0.000 0.192 380 E C 0.109 176.729 176.600 0.033 0.000 0.983 380 E CA 0.753 57.165 56.400 0.020 0.000 0.818 380 E CB -0.129 29.579 29.700 0.012 0.000 0.758 380 E HN 0.539 nan 8.360 nan 0.000 0.467 381 N N -0.432 118.297 118.700 0.047 0.000 2.675 381 N HA 0.145 4.885 4.740 -0.000 0.000 0.254 381 N C -2.456 173.101 175.510 0.079 0.000 1.224 381 N CA -1.758 51.326 53.050 0.056 0.000 0.777 381 N CB 1.315 39.834 38.487 0.054 0.000 1.256 381 N HN -0.293 nan 8.380 nan 0.000 0.531 382 P HA -0.088 nan 4.420 nan 0.000 0.218 382 P C 0.250 177.659 177.300 0.182 0.000 1.146 382 P CA 1.280 64.462 63.100 0.136 0.000 0.813 382 P CB 0.381 32.143 31.700 0.104 0.000 0.778 383 Q N -0.927 118.947 119.800 0.123 0.000 2.206 383 Q HA 0.220 4.560 4.340 -0.000 0.000 0.265 383 Q C 0.423 176.457 176.000 0.056 0.000 0.866 383 Q CA -0.645 55.225 55.803 0.112 0.000 1.073 383 Q CB -0.220 28.578 28.738 0.100 0.000 1.165 383 Q HN 0.362 nan 8.270 nan 0.000 0.465 384 I N 0.747 121.348 120.570 0.053 0.000 2.826 384 I HA -0.169 4.001 4.170 -0.000 0.000 0.295 384 I C 1.202 177.324 176.117 0.009 0.000 1.213 384 I CA 0.209 61.533 61.300 0.040 0.000 1.436 384 I CB 0.914 38.944 38.000 0.049 0.000 1.348 384 I HN 0.247 nan 8.210 nan 0.000 0.570 385 A N 6.452 129.293 122.820 0.034 0.000 1.968 385 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 385 A C 0.905 178.513 177.584 0.039 0.000 1.169 385 A CA 1.064 53.124 52.037 0.037 0.000 0.638 385 A CB -0.215 18.834 19.000 0.082 0.000 0.812 385 A HN 0.831 nan 8.150 nan 0.000 0.446 386 N N -1.104 117.630 118.700 0.057 0.000 2.452 386 N HA 0.252 4.992 4.740 -0.000 0.000 0.277 386 N C 0.082 175.599 175.510 0.013 0.000 1.078 386 N CA -0.399 52.661 53.050 0.017 0.000 0.947 386 N CB 1.159 39.651 38.487 0.009 0.000 1.655 386 N HN 0.023 nan 8.380 nan 0.000 0.490 387 L N 2.612 123.799 121.223 -0.060 0.000 2.261 387 L HA -0.094 4.246 4.340 -0.000 0.000 0.216 387 L C 2.120 178.985 176.870 -0.008 0.000 1.114 387 L CA 1.001 55.778 54.840 -0.106 0.000 0.777 387 L CB -0.096 41.701 42.059 -0.437 0.000 0.910 387 L HN 0.568 nan 8.230 nan 0.000 0.440 388 L N -0.496 120.732 121.223 0.009 0.000 2.265 388 L HA -0.213 4.126 4.340 -0.000 0.000 0.215 388 L C 2.202 179.184 176.870 0.187 0.000 1.117 388 L CA 0.972 55.888 54.840 0.126 0.000 0.782 388 L CB -0.281 41.877 42.059 0.165 0.000 0.914 388 L HN 0.346 nan 8.230 nan 0.000 0.441 389 L N -0.673 120.648 121.223 0.163 0.000 2.418 389 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 389 L C 1.398 178.353 176.870 0.141 0.000 1.125 389 L CA -0.411 54.516 54.840 0.146 0.000 0.835 389 L CB -0.467 41.668 42.059 0.127 0.000 0.953 389 L HN 0.106 nan 8.230 nan 0.000 0.454 390 A N 0.581 123.516 122.820 0.193 0.000 2.462 390 A HA 0.225 4.545 4.320 -0.000 0.000 0.243 390 A C -1.439 176.229 177.584 0.140 0.000 1.076 390 A CA -0.980 51.168 52.037 0.185 0.000 0.773 390 A CB 0.041 19.217 19.000 0.294 0.000 1.010 390 A HN -0.033 nan 8.150 nan 0.000 0.493 391 P HA -0.245 nan 4.420 nan 0.000 0.216 391 P C 1.250 178.544 177.300 -0.011 0.000 1.157 391 P CA 1.848 64.966 63.100 0.030 0.000 0.880 391 P CB -0.095 31.617 31.700 0.020 0.000 0.791 392 Y N -0.826 119.354 120.300 -0.198 0.000 2.145 392 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 392 Y C 2.004 177.712 175.900 -0.320 0.000 1.145 392 Y CA 1.570 59.465 58.100 -0.343 0.000 1.148 392 Y CB -0.993 37.106 38.460 -0.603 0.000 0.981 392 Y HN -0.182 nan 8.280 nan 0.000 0.507 393 F N 0.669 120.570 119.950 -0.082 0.000 2.206 393 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 393 F C 2.490 178.197 175.800 -0.154 0.000 1.090 393 F CA 1.432 59.330 58.000 -0.170 0.000 1.323 393 F CB -0.714 38.275 39.000 -0.019 0.000 1.028 393 F HN -0.034 nan 8.300 nan 0.000 0.492 394 K N 0.831 121.285 120.400 0.090 0.000 2.057 394 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 394 K C 2.134 178.712 176.600 -0.037 0.000 1.049 394 K CA 1.615 57.941 56.287 0.065 0.000 0.931 394 K CB -0.364 32.179 32.500 0.072 0.000 0.714 394 K HN 0.263 nan 8.250 nan 0.000 0.440 395 Q N 0.753 120.477 119.800 -0.128 0.000 2.084 395 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 395 Q C 2.017 177.850 176.000 -0.277 0.000 0.978 395 Q CA 1.366 57.061 55.803 -0.180 0.000 0.844 395 Q CB -0.090 28.526 28.738 -0.204 0.000 0.898 395 Q HN 0.284 nan 8.270 nan 0.000 0.426 396 I N 0.411 120.725 120.570 -0.427 0.000 2.286 396 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 396 I C 2.161 178.071 176.117 -0.345 0.000 1.115 396 I CA 1.350 62.317 61.300 -0.555 0.000 1.392 396 I CB -1.632 36.031 38.000 -0.562 0.000 1.065 396 I HN 0.327 nan 8.210 nan 0.000 0.418 397 A N 0.697 123.401 122.820 -0.193 0.000 1.902 397 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 397 A C 1.993 179.495 177.584 -0.137 0.000 1.181 397 A CA 1.908 53.837 52.037 -0.180 0.000 0.623 397 A CB -0.576 18.371 19.000 -0.088 0.000 0.818 397 A HN 0.337 nan 8.150 nan 0.000 0.443 398 D N 0.258 120.612 120.400 -0.075 0.000 2.117 398 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 398 D C 1.240 177.521 176.300 -0.031 0.000 0.987 398 D CA 1.501 55.482 54.000 -0.031 0.000 0.829 398 D CB -0.348 40.438 40.800 -0.024 0.000 0.961 398 D HN 0.400 nan 8.370 nan 0.000 0.460 399 D N -0.955 119.409 120.400 -0.059 0.000 2.194 399 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 399 D C 1.388 177.828 176.300 0.234 0.000 0.964 399 D CA 0.677 54.699 54.000 0.038 0.000 0.846 399 D CB -0.002 40.785 40.800 -0.022 0.000 0.962 399 D HN 0.298 nan 8.370 nan 0.000 0.490 400 Y N 0.895 121.131 120.300 -0.108 0.000 2.444 400 Y HA 0.109 4.659 4.550 -0.000 0.000 0.249 400 Y C 2.146 177.950 175.900 -0.159 0.000 1.134 400 Y CA -0.222 57.803 58.100 -0.125 0.000 1.261 400 Y CB -0.395 37.998 38.460 -0.112 0.000 1.143 400 Y HN 0.089 nan 8.280 nan 0.000 0.523 401 Q N -0.165 119.616 119.800 -0.032 0.000 2.170 401 Q HA -0.258 4.082 4.340 -0.000 0.000 0.203 401 Q C 1.731 177.684 176.000 -0.079 0.000 0.976 401 Q CA 1.755 57.477 55.803 -0.135 0.000 0.858 401 Q CB -0.214 28.374 28.738 -0.251 0.000 0.907 401 Q HN 0.212 nan 8.270 nan 0.000 0.433 402 Q N 1.067 120.842 119.800 -0.041 0.000 2.124 402 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 402 Q C 2.037 178.003 176.000 -0.057 0.000 0.977 402 Q CA 1.972 57.755 55.803 -0.033 0.000 0.850 402 Q CB -0.508 28.221 28.738 -0.016 0.000 0.901 402 Q HN 0.538 nan 8.270 nan 0.000 0.429 403 A N 0.053 122.817 122.820 -0.093 0.000 1.877 403 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 403 A C 1.980 179.474 177.584 -0.149 0.000 1.186 403 A CA 1.497 53.445 52.037 -0.148 0.000 0.620 403 A CB -0.901 17.954 19.000 -0.242 0.000 0.822 403 A HN 0.469 nan 8.150 nan 0.000 0.443 404 L N -0.085 121.044 121.223 -0.156 0.000 2.046 404 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 404 L C 2.408 179.237 176.870 -0.068 0.000 1.077 404 L CA 2.004 56.743 54.840 -0.168 0.000 0.747 404 L CB -0.585 41.355 42.059 -0.199 0.000 0.896 404 L HN 0.354 nan 8.230 nan 0.000 0.432 405 R N -0.457 120.018 120.500 -0.041 0.000 2.081 405 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 405 R C 1.941 178.260 176.300 0.031 0.000 1.131 405 R CA 1.499 57.605 56.100 0.010 0.000 0.960 405 R CB -0.530 29.778 30.300 0.013 0.000 0.856 405 R HN 0.421 nan 8.270 nan 0.000 0.436 406 D N 0.105 120.511 120.400 0.010 0.000 2.117 406 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 406 D C 1.940 178.285 176.300 0.074 0.000 0.987 406 D CA 1.011 55.032 54.000 0.035 0.000 0.829 406 D CB -0.185 40.611 40.800 -0.006 0.000 0.961 406 D HN 0.001 nan 8.370 nan 0.000 0.460 407 V N 0.489 120.416 119.914 0.021 0.000 2.358 407 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 407 V C 2.591 178.808 176.094 0.205 0.000 1.047 407 V CA 0.944 63.289 62.300 0.074 0.000 1.035 407 V CB -0.273 31.556 31.823 0.011 0.000 0.658 407 V HN 0.060 nan 8.190 nan 0.000 0.452 408 V N 0.204 120.218 119.914 0.167 0.000 2.358 408 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 408 V C 2.679 178.857 176.094 0.140 0.000 1.047 408 V CA 1.894 64.299 62.300 0.175 0.000 1.035 408 V CB -1.006 30.904 31.823 0.145 0.000 0.658 408 V HN 0.553 nan 8.190 nan 0.000 0.452 409 A N -0.824 122.071 122.820 0.125 0.000 1.902 409 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 409 A C 2.162 179.813 177.584 0.112 0.000 1.181 409 A CA 2.105 54.203 52.037 0.102 0.000 0.623 409 A CB -0.785 18.270 19.000 0.092 0.000 0.818 409 A HN 0.653 nan 8.150 nan 0.000 0.443 410 Y N 0.663 121.010 120.300 0.079 0.000 2.145 410 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 410 Y C 2.629 178.591 175.900 0.104 0.000 1.145 410 Y CA 1.442 59.607 58.100 0.108 0.000 1.148 410 Y CB -0.541 38.022 38.460 0.172 0.000 0.981 410 Y HN 0.305 nan 8.280 nan 0.000 0.507 411 A N -0.536 122.365 122.820 0.135 0.000 1.877 411 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 411 A C 2.343 179.896 177.584 -0.052 0.000 1.186 411 A CA 2.060 54.125 52.037 0.047 0.000 0.620 411 A CB -1.358 17.727 19.000 0.141 0.000 0.822 411 A HN 0.353 nan 8.150 nan 0.000 0.443 412 V N 0.108 120.016 119.914 -0.010 0.000 2.343 412 V HA -0.242 3.877 4.120 -0.000 0.000 0.247 412 V C 2.642 178.699 176.094 -0.062 0.000 1.051 412 V CA 1.994 64.283 62.300 -0.018 0.000 1.036 412 V CB -0.677 31.155 31.823 0.015 0.000 0.654 412 V HN 0.553 nan 8.190 nan 0.000 0.451 413 Q N -0.245 119.495 119.800 -0.100 0.000 2.297 413 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 413 Q C 1.785 177.677 176.000 -0.179 0.000 0.962 413 Q CA 1.029 56.759 55.803 -0.122 0.000 0.879 413 Q CB -0.401 28.267 28.738 -0.116 0.000 0.947 413 Q HN 0.735 nan 8.270 nan 0.000 0.462 414 N N -0.601 117.933 118.700 -0.276 0.000 2.353 414 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 414 N C 0.647 176.073 175.510 -0.141 0.000 1.098 414 N CA 0.454 53.340 53.050 -0.273 0.000 0.872 414 N CB 0.666 38.871 38.487 -0.470 0.000 0.970 414 N HN 0.278 nan 8.380 nan 0.000 0.467 415 G N 1.773 110.513 108.800 -0.101 0.000 2.147 415 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.244 415 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.244 415 G C -0.011 174.862 174.900 -0.045 0.000 1.005 415 G CA -0.163 44.902 45.100 -0.059 0.000 0.713 415 G HN 0.267 nan 8.290 nan 0.000 0.515 416 I N 2.498 123.043 120.570 -0.041 0.000 2.312 416 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 416 I C -1.596 174.511 176.117 -0.016 0.000 1.031 416 I CA -2.274 59.015 61.300 -0.018 0.000 1.293 416 I CB 1.324 39.339 38.000 0.025 0.000 1.403 416 I HN -0.077 nan 8.210 nan 0.000 0.484 417 P HA 0.058 nan 4.420 nan 0.000 0.271 417 P C -0.365 176.909 177.300 -0.044 0.000 1.226 417 P CA -0.032 63.054 63.100 -0.022 0.000 0.765 417 P CB 1.026 32.714 31.700 -0.020 0.000 0.835 418 V N 1.498 121.397 119.914 -0.024 0.000 2.405 418 V HA 0.249 4.369 4.120 -0.000 0.000 0.253 418 V C -1.780 174.325 176.094 0.018 0.000 0.963 418 V CA -1.701 60.561 62.300 -0.064 0.000 1.003 418 V CB 1.069 32.874 31.823 -0.030 0.000 1.251 418 V HN 0.284 nan 8.190 nan 0.000 0.520 419 P HA -0.154 nan 4.420 nan 0.000 0.215 419 P C 1.613 178.974 177.300 0.101 0.000 1.153 419 P CA 2.574 65.713 63.100 0.065 0.000 0.853 419 P CB 0.109 31.847 31.700 0.063 0.000 0.788 420 T N -4.276 110.341 114.554 0.103 0.000 2.942 420 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 420 T C 1.768 176.654 174.700 0.309 0.000 1.062 420 T CA 0.524 62.725 62.100 0.169 0.000 1.139 420 T CB -1.042 67.922 68.868 0.159 0.000 0.883 420 T HN -0.195 nan 8.240 nan 0.000 0.468 421 F N 3.114 123.094 119.950 0.049 0.000 2.146 421 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 421 F C 3.063 178.896 175.800 0.054 0.000 1.096 421 F CA 0.529 58.555 58.000 0.044 0.000 1.275 421 F CB -1.229 37.796 39.000 0.041 0.000 1.008 421 F HN 0.404 nan 8.300 nan 0.000 0.480 422 S N 0.077 115.934 115.700 0.261 0.000 2.406 422 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 422 S C 2.211 176.905 174.600 0.156 0.000 1.020 422 S CA 0.693 58.997 58.200 0.175 0.000 0.965 422 S CB -0.812 62.469 63.200 0.136 0.000 0.798 422 S HN 0.199 nan 8.310 nan 0.000 0.488 423 A N 1.937 124.850 122.820 0.154 0.000 1.969 423 A HA 0.347 4.667 4.320 -0.000 0.000 0.218 423 A C 2.494 180.178 177.584 0.167 0.000 1.169 423 A CA 1.538 53.662 52.037 0.144 0.000 0.635 423 A CB -1.363 17.705 19.000 0.113 0.000 0.810 423 A HN 0.846 nan 8.150 nan 0.000 0.445 424 A N -0.465 122.448 122.820 0.155 0.000 1.902 424 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 424 A C 2.211 179.922 177.584 0.211 0.000 1.181 424 A CA 1.777 53.907 52.037 0.155 0.000 0.623 424 A CB -0.869 18.173 19.000 0.070 0.000 0.818 424 A HN 0.376 nan 8.150 nan 0.000 0.443 425 V N -0.157 119.855 119.914 0.163 0.000 2.307 425 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 425 V C 3.044 179.266 176.094 0.213 0.000 1.045 425 V CA 1.899 64.302 62.300 0.172 0.000 1.024 425 V CB -1.242 30.653 31.823 0.120 0.000 0.651 425 V HN 0.604 nan 8.190 nan 0.000 0.449 426 A N -1.001 121.933 122.820 0.189 0.000 1.933 426 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 426 A C 2.161 179.866 177.584 0.202 0.000 1.175 426 A CA 2.052 54.191 52.037 0.170 0.000 0.628 426 A CB -0.709 18.379 19.000 0.148 0.000 0.814 426 A HN 0.667 nan 8.150 nan 0.000 0.444 427 Y N -1.559 118.813 120.300 0.121 0.000 2.220 427 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 427 Y C 2.192 178.184 175.900 0.153 0.000 1.129 427 Y CA 1.859 60.029 58.100 0.116 0.000 1.161 427 Y CB -0.570 37.943 38.460 0.087 0.000 0.997 427 Y HN 0.398 nan 8.280 nan 0.000 0.522 428 Y N 1.149 121.520 120.300 0.119 0.000 2.181 428 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 428 Y C 1.959 177.850 175.900 -0.014 0.000 1.146 428 Y CA 2.244 60.361 58.100 0.028 0.000 1.164 428 Y CB -0.470 38.044 38.460 0.091 0.000 0.982 428 Y HN 0.152 nan 8.280 nan 0.000 0.515 429 D N -1.131 119.308 120.400 0.065 0.000 2.269 429 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 429 D C 2.128 178.378 176.300 -0.082 0.000 0.963 429 D CA 1.202 55.193 54.000 -0.014 0.000 0.864 429 D CB 0.066 40.916 40.800 0.083 0.000 0.936 429 D HN 0.315 nan 8.370 nan 0.000 0.505 430 S N -0.472 115.178 115.700 -0.082 0.000 2.421 430 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 430 S C 1.703 176.204 174.600 -0.165 0.000 1.035 430 S CA -0.080 58.066 58.200 -0.091 0.000 0.953 430 S CB -0.051 63.130 63.200 -0.031 0.000 0.810 430 S HN 0.278 nan 8.310 nan 0.000 0.497 431 Y N 3.371 123.405 120.300 -0.443 0.000 2.293 431 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 431 Y C 2.183 177.879 175.900 -0.340 0.000 1.137 431 Y CA 1.219 59.041 58.100 -0.465 0.000 1.202 431 Y CB -0.039 37.973 38.460 -0.747 0.000 0.990 431 Y HN 0.185 nan 8.280 nan 0.000 0.537 432 R N -0.019 120.264 120.500 -0.361 0.000 2.317 432 R HA 0.389 4.729 4.340 -0.000 0.000 0.208 432 R C 0.274 176.422 176.300 -0.253 0.000 0.914 432 R CA 0.481 56.369 56.100 -0.354 0.000 1.060 432 R CB -0.196 29.863 30.300 -0.402 0.000 1.015 432 R HN 0.154 nan 8.270 nan 0.000 0.498 433 A N 1.203 123.894 122.820 -0.216 0.000 2.302 433 A HA 0.564 4.884 4.320 -0.000 0.000 0.295 433 A C 1.104 178.603 177.584 -0.141 0.000 1.235 433 A CA -0.003 51.948 52.037 -0.143 0.000 0.876 433 A CB 0.826 19.765 19.000 -0.102 0.000 1.133 433 A HN 0.424 nan 8.150 nan 0.000 0.533 434 A N 2.705 125.455 122.820 -0.117 0.000 2.015 434 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 434 A C 0.954 178.493 177.584 -0.074 0.000 1.163 434 A CA 1.597 53.573 52.037 -0.102 0.000 0.646 434 A CB -0.106 18.845 19.000 -0.082 0.000 0.806 434 A HN 1.434 nan 8.150 nan 0.000 0.448 435 V N 0.192 120.069 119.914 -0.061 0.000 2.638 435 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 435 V C -1.107 174.963 176.094 -0.039 0.000 1.052 435 V CA -0.819 61.456 62.300 -0.043 0.000 0.885 435 V CB 1.695 33.499 31.823 -0.032 0.000 0.999 435 V HN 0.336 nan 8.190 nan 0.000 0.424 436 L N 6.955 128.159 121.223 -0.031 0.000 2.301 436 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 436 L C -1.601 175.259 176.870 -0.017 0.000 1.016 436 L CA -1.746 53.080 54.840 -0.023 0.000 0.821 436 L CB 2.815 44.862 42.059 -0.021 0.000 1.346 436 L HN 0.471 nan 8.230 nan 0.000 0.429 437 P HA -0.004 nan 4.420 nan 0.000 0.252 437 P C 0.618 177.908 177.300 -0.017 0.000 1.265 437 P CA 0.239 63.330 63.100 -0.016 0.000 0.775 437 P CB 0.293 31.985 31.700 -0.012 0.000 1.128 438 A N 1.730 124.544 122.820 -0.010 0.000 2.172 438 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 438 A C 2.103 179.678 177.584 -0.015 0.000 1.154 438 A CA 1.162 53.195 52.037 -0.007 0.000 0.701 438 A CB -1.031 17.972 19.000 0.005 0.000 0.789 438 A HN 0.330 nan 8.150 nan 0.000 0.465 439 N N 0.578 119.265 118.700 -0.021 0.000 2.166 439 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 439 N C 1.521 176.987 175.510 -0.073 0.000 1.019 439 N CA 1.697 54.726 53.050 -0.034 0.000 0.856 439 N CB -0.754 37.715 38.487 -0.030 0.000 0.993 439 N HN 0.397 nan 8.380 nan 0.000 0.426 440 L N 0.901 122.079 121.223 -0.075 0.000 2.056 440 L HA 0.127 4.466 4.340 -0.000 0.000 0.207 440 L C 2.317 179.115 176.870 -0.120 0.000 1.078 440 L CA 1.053 55.825 54.840 -0.113 0.000 0.749 440 L CB -0.564 41.444 42.059 -0.085 0.000 0.901 440 L HN 0.088 nan 8.230 nan 0.000 0.433 441 I N -0.650 119.880 120.570 -0.067 0.000 2.208 441 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 441 I C 2.472 178.545 176.117 -0.073 0.000 1.097 441 I CA 1.080 62.352 61.300 -0.047 0.000 1.363 441 I CB -0.421 37.573 38.000 -0.010 0.000 1.051 441 I HN 0.390 nan 8.210 nan 0.000 0.413 442 Q N 0.393 120.160 119.800 -0.055 0.000 2.119 442 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 442 Q C 2.443 178.403 176.000 -0.068 0.000 0.972 442 Q CA 1.746 57.538 55.803 -0.018 0.000 0.847 442 Q CB -0.354 28.414 28.738 0.051 0.000 0.903 442 Q HN 0.586 nan 8.270 nan 0.000 0.433 443 A N 0.848 123.548 122.820 -0.199 0.000 1.898 443 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 443 A C 2.088 179.371 177.584 -0.503 0.000 1.181 443 A CA 1.397 53.175 52.037 -0.432 0.000 0.620 443 A CB -0.422 18.181 19.000 -0.662 0.000 0.819 443 A HN 0.376 nan 8.150 nan 0.000 0.442 444 Q N -0.598 118.982 119.800 -0.367 0.000 2.084 444 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 444 Q C 2.315 177.960 176.000 -0.592 0.000 0.978 444 Q CA 1.592 57.205 55.803 -0.316 0.000 0.844 444 Q CB -0.192 28.495 28.738 -0.085 0.000 0.898 444 Q HN 0.604 nan 8.270 nan 0.000 0.426 445 R N 0.375 120.536 120.500 -0.565 0.000 2.120 445 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 445 R C 1.734 177.834 176.300 -0.333 0.000 1.123 445 R CA 1.449 57.093 56.100 -0.759 0.000 0.975 445 R CB -0.130 30.009 30.300 -0.268 0.000 0.866 445 R HN 0.272 nan 8.270 nan 0.000 0.446 446 D N -0.254 120.116 120.400 -0.050 0.000 2.149 446 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 446 D C 1.636 178.096 176.300 0.266 0.000 0.972 446 D CA 0.883 55.046 54.000 0.271 0.000 0.835 446 D CB -0.011 41.160 40.800 0.618 0.000 0.966 446 D HN 0.214 nan 8.370 nan 0.000 0.476 447 Y N -0.113 120.126 120.300 -0.103 0.000 2.089 447 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 447 Y C 1.917 177.875 175.900 0.097 0.000 1.139 447 Y CA 2.246 60.328 58.100 -0.029 0.000 1.123 447 Y CB -0.327 37.950 38.460 -0.305 0.000 0.980 447 Y HN 0.119 nan 8.280 nan 0.000 0.493 448 F N -1.806 118.377 119.950 0.388 0.000 2.569 448 F HA 0.386 4.912 4.527 -0.000 0.000 0.295 448 F C 1.671 177.568 175.800 0.163 0.000 1.115 448 F CA 0.713 58.879 58.000 0.275 0.000 1.450 448 F CB -0.761 38.354 39.000 0.191 0.000 1.107 448 F HN -0.079 nan 8.300 nan 0.000 0.563 449 G N -0.815 108.055 108.800 0.117 0.000 3.695 449 G HA2 0.411 4.371 3.960 -0.000 0.000 0.277 449 G HA3 0.411 4.371 3.960 -0.000 0.000 0.277 449 G C 0.846 175.532 174.900 -0.356 0.000 1.001 449 G CA -0.060 45.020 45.100 -0.033 0.000 0.837 449 G HN 0.742 nan 8.290 nan 0.000 0.492 450 A N 0.660 123.413 122.820 -0.111 0.000 2.704 450 A HA -0.250 4.070 4.320 -0.000 0.000 0.299 450 A C 1.291 178.763 177.584 -0.187 0.000 1.507 450 A CA 1.161 53.105 52.037 -0.155 0.000 0.776 450 A CB -2.310 16.455 19.000 -0.392 0.000 1.027 450 A HN 0.575 nan 8.150 nan 0.000 0.475 451 H N 0.193 119.280 119.070 0.028 0.000 2.555 451 H HA 0.078 4.634 4.556 -0.000 0.000 0.269 451 H C 1.440 176.806 175.328 0.064 0.000 0.988 451 H CA 2.145 58.209 56.048 0.027 0.000 1.178 451 H CB -0.227 29.540 29.762 0.010 0.000 1.373 451 H HN 1.605 nan 8.280 nan 0.000 0.588 452 T N -1.261 113.437 114.554 0.240 0.000 0.541 452 T HA -0.207 4.143 4.350 -0.000 0.000 0.774 452 T C -0.617 174.235 174.700 0.254 0.000 0.992 452 T CA 0.500 62.714 62.100 0.189 0.000 4.077 452 T CB -1.414 67.472 68.868 0.030 0.000 2.303 452 T HN 0.568 nan 8.240 nan 0.000 0.398 453 Y N -1.011 119.428 120.300 0.231 0.000 2.644 453 Y HA 0.880 5.430 4.550 -0.000 0.000 0.338 453 Y C -0.326 175.730 175.900 0.260 0.000 1.119 453 Y CA -1.640 56.585 58.100 0.209 0.000 1.060 453 Y CB 1.282 39.872 38.460 0.216 0.000 1.294 453 Y HN 0.922 nan 8.280 nan 0.000 0.472 454 K N 1.209 121.839 120.400 0.383 0.000 2.185 454 K HA 0.660 4.980 4.320 -0.000 0.000 0.240 454 K C -0.930 175.895 176.600 0.375 0.000 0.983 454 K CA -1.130 55.356 56.287 0.332 0.000 0.873 454 K CB 2.032 34.654 32.500 0.203 0.000 1.118 454 K HN 0.683 nan 8.250 nan 0.000 0.441 455 R N 0.824 121.479 120.500 0.259 0.000 2.832 455 R HA 0.349 4.689 4.340 -0.000 0.000 0.271 455 R C 1.028 177.372 176.300 0.074 0.000 0.996 455 R CA -0.531 55.635 56.100 0.109 0.000 0.977 455 R CB 1.033 31.254 30.300 -0.131 0.000 1.168 455 R HN 0.670 nan 8.270 nan 0.000 0.482 456 I N -1.786 118.804 120.570 0.033 0.000 3.793 456 I HA 0.122 4.292 4.170 -0.000 0.000 0.315 456 I C 0.140 176.263 176.117 0.010 0.000 1.275 456 I CA 0.483 61.797 61.300 0.023 0.000 1.214 456 I CB 0.044 38.050 38.000 0.011 0.000 1.018 456 I HN 0.522 nan 8.210 nan 0.000 0.439 457 D N 1.205 121.602 120.400 -0.006 0.000 2.520 457 D HA 0.137 4.777 4.640 -0.000 0.000 0.223 457 D C 0.219 176.520 176.300 0.002 0.000 1.186 457 D CA -0.140 53.854 54.000 -0.011 0.000 0.821 457 D CB 0.312 41.093 40.800 -0.032 0.000 1.072 457 D HN 0.635 nan 8.370 nan 0.000 0.518 458 K N -0.844 119.572 120.400 0.027 0.000 2.607 458 K HA 0.410 4.730 4.320 -0.000 0.000 0.287 458 K C -0.938 175.766 176.600 0.173 0.000 0.996 458 K CA -0.848 55.490 56.287 0.084 0.000 0.876 458 K CB 1.559 34.108 32.500 0.081 0.000 1.496 458 K HN -0.321 nan 8.250 nan 0.000 0.415 459 E N 0.479 120.778 120.200 0.166 0.000 2.349 459 E HA 0.515 4.865 4.350 -0.000 0.000 0.265 459 E C 0.544 177.242 176.600 0.164 0.000 1.064 459 E CA 0.652 57.138 56.400 0.143 0.000 0.886 459 E CB 1.153 30.894 29.700 0.068 0.000 1.036 459 E HN 0.926 nan 8.360 nan 0.000 0.413 460 G N -0.466 108.366 108.800 0.053 0.000 2.525 460 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.685 460 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.685 460 G C -0.608 174.138 174.900 -0.256 0.000 1.290 460 G CA -0.480 44.516 45.100 -0.174 0.000 0.915 460 G HN 0.733 nan 8.290 nan 0.000 0.548 461 V N -2.123 117.503 119.914 -0.480 0.000 2.630 461 V HA 0.954 5.073 4.120 -0.000 0.000 0.305 461 V C -0.311 175.304 176.094 -0.798 0.000 1.046 461 V CA -1.160 60.910 62.300 -0.383 0.000 0.934 461 V CB 1.442 33.142 31.823 -0.204 0.000 1.003 461 V HN 1.144 nan 8.190 nan 0.000 0.451 462 F N 2.597 122.313 119.950 -0.390 0.000 2.576 462 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 462 F C -0.252 175.236 175.800 -0.520 0.000 1.078 462 F CA -0.545 57.151 58.000 -0.506 0.000 0.921 462 F CB 2.006 40.575 39.000 -0.719 0.000 1.232 462 F HN 0.903 nan 8.300 nan 0.000 0.459 463 H N -0.070 118.912 119.070 -0.147 0.000 2.600 463 H HA 0.696 5.252 4.556 -0.000 0.000 0.357 463 H C -1.326 174.039 175.328 0.061 0.000 1.106 463 H CA -0.436 55.616 56.048 0.006 0.000 1.193 463 H CB 1.915 31.674 29.762 -0.004 0.000 1.594 463 H HN 0.579 nan 8.280 nan 0.000 0.526 464 T N 4.097 118.302 114.554 -0.582 0.000 2.907 464 T HA 0.241 4.591 4.350 -0.000 0.000 0.292 464 T C -0.832 173.407 174.700 -0.769 0.000 1.043 464 T CA -0.950 60.761 62.100 -0.649 0.000 1.003 464 T CB 1.248 69.602 68.868 -0.856 0.000 1.084 464 T HN 0.509 nan 8.240 nan 0.000 0.483 465 E N 2.012 121.890 120.200 -0.536 0.000 1.986 465 E HA 0.110 4.460 4.350 -0.000 0.000 0.264 465 E C -0.051 176.354 176.600 -0.325 0.000 1.023 465 E CA -0.198 56.014 56.400 -0.314 0.000 0.834 465 E CB 0.412 30.003 29.700 -0.182 0.000 1.111 465 E HN 0.702 nan 8.360 nan 0.000 0.417 466 W N 2.194 123.366 121.300 -0.213 0.000 2.468 466 W HA -0.063 4.597 4.660 -0.000 0.000 0.262 466 W C 0.738 177.240 176.519 -0.029 0.000 1.241 466 W CA 0.306 57.593 57.345 -0.096 0.000 1.232 466 W CB 0.000 29.456 29.460 -0.008 0.000 1.124 466 W HN 0.280 nan 8.180 nan 0.000 0.597 467 L N 0.000 121.265 121.223 0.070 0.000 2.949 467 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 467 L CA 0.000 54.885 54.840 0.076 0.000 0.813 467 L CB 0.000 42.108 42.059 0.082 0.000 0.961 467 L HN 0.000 nan 8.230 nan 0.000 0.502