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 3cb4_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKNIRNFSII AHIXXXXSTL SDRIIQICGG XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXQSVT LDYKASDGET YQLNFIDTPG HVDFSYEVSR SLAACEGALL DATA SEQUENCE VVDAGQGVEA QTLANCYTAM EMDLEVVPVL NKIDLPAADP ERVAEEIEDI DATA SEQUENCE VGIDATDAVR CSAKTGVGVQ DVLERLVRDI PPPEGDPEGP LQALIIDSWF DATA SEQUENCE DNYLGVVSLI RIKNGTLRKG DKVKVMSTGQ TYNADRLGIF TPKQVDRTEL DATA SEQUENCE KCGEVGWLVC AIKDIHGAPV GDTLTLARNP AEKALPGFKK VKPQVYAGLF DATA SEQUENCE PVSSDDYEAF RDALGKLSLN DASLFYEPES SSALGFGFRC GFLGLLHMEI DATA SEQUENCE IQERLEREYD LDLITTAPTV VYEVETTSRE VIYVDSPSKL PAVNNIYELR DATA SEQUENCE EPIAECHMLL PQAYLGNVIT LCVEKRGVQT NMVYHGNQVA LTYEIPMAEV DATA SEQUENCE VLDFFDRLKS TSRGYASLDY NFKRFQASDM VRVDVLINGE RVDALALITH DATA SEQUENCE RDNSQNRGRE LVEKMKDLIP RQQFDIAIQA AIGTHIIARS TVKQLRKNVL DATA SEQUENCE AKCYG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.054 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 K N 1.298 121.724 120.400 0.044 0.000 2.442 2 K HA 0.003 4.322 4.320 -0.000 0.000 0.198 2 K C 0.395 177.058 176.600 0.106 0.000 1.042 2 K CA 1.126 57.452 56.287 0.065 0.000 0.958 2 K CB -0.183 32.342 32.500 0.042 0.000 0.766 2 K HN 0.326 nan 8.250 nan 0.000 0.474 3 N N 0.069 118.809 118.700 0.067 0.000 2.214 3 N HA 0.174 4.913 4.740 -0.000 0.000 0.214 3 N C -0.502 175.144 175.510 0.227 0.000 1.132 3 N CA 0.025 53.116 53.050 0.069 0.000 0.856 3 N CB 0.592 38.950 38.487 -0.216 0.000 1.020 3 N HN 0.016 nan 8.380 nan 0.000 0.509 4 I N 0.856 121.539 120.570 0.188 0.000 2.437 4 I HA 0.372 4.542 4.170 -0.000 0.000 0.298 4 I C -0.031 176.210 176.117 0.207 0.000 0.984 4 I CA -0.769 60.642 61.300 0.186 0.000 1.214 4 I CB 1.114 39.184 38.000 0.118 0.000 1.365 4 I HN -0.164 nan 8.210 nan 0.000 0.469 5 R N 4.757 125.398 120.500 0.234 0.000 2.467 5 R HA 0.347 4.687 4.340 -0.000 0.000 0.299 5 R C -1.358 175.151 176.300 0.347 0.000 1.120 5 R CA -0.737 55.511 56.100 0.247 0.000 0.940 5 R CB 1.030 31.449 30.300 0.199 0.000 1.161 5 R HN 0.534 nan 8.270 nan 0.000 0.506 6 N N 4.278 123.132 118.700 0.256 0.000 2.426 6 N HA 0.369 5.109 4.740 -0.000 0.000 0.257 6 N C -0.420 175.250 175.510 0.267 0.000 1.002 6 N CA -0.100 53.068 53.050 0.196 0.000 0.942 6 N CB 1.015 39.562 38.487 0.099 0.000 1.112 6 N HN 0.364 nan 8.380 nan 0.000 0.499 7 F N -1.154 118.855 119.950 0.099 0.000 2.626 7 F HA 0.730 5.257 4.527 -0.000 0.000 0.311 7 F C -0.212 175.657 175.800 0.114 0.000 1.088 7 F CA -1.213 56.830 58.000 0.072 0.000 0.949 7 F CB 0.890 39.907 39.000 0.028 0.000 1.322 7 F HN 0.246 nan 8.300 nan 0.000 0.461 8 S N 0.956 116.754 115.700 0.164 0.000 2.689 8 S HA 0.853 5.323 4.470 -0.000 0.000 0.306 8 S C -1.035 173.648 174.600 0.139 0.000 1.104 8 S CA -0.840 57.415 58.200 0.092 0.000 0.973 8 S CB 2.046 65.279 63.200 0.055 0.000 1.121 8 S HN 0.697 nan 8.310 nan 0.000 0.523 9 I N 1.054 121.669 120.570 0.074 0.000 2.406 9 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 9 I C -1.116 175.009 176.117 0.013 0.000 0.999 9 I CA -0.759 60.557 61.300 0.027 0.000 1.124 9 I CB 1.458 39.424 38.000 -0.056 0.000 1.289 9 I HN 0.550 nan 8.210 nan 0.000 0.441 10 I N 6.199 126.769 120.570 -0.001 0.000 2.390 10 I HA 0.746 4.915 4.170 -0.000 0.000 0.283 10 I C 0.116 176.226 176.117 -0.012 0.000 1.016 10 I CA -0.096 61.199 61.300 -0.010 0.000 1.151 10 I CB 1.265 39.250 38.000 -0.025 0.000 1.293 10 I HN 0.642 nan 8.210 nan 0.000 0.458 11 A N 4.709 127.530 122.820 0.001 0.000 2.566 11 A HA 0.640 4.960 4.320 -0.000 0.000 0.291 11 A C -0.347 177.278 177.584 0.069 0.000 1.278 11 A CA -0.298 51.751 52.037 0.020 0.000 0.711 11 A CB 1.699 20.699 19.000 -0.000 0.000 1.332 11 A HN 0.731 nan 8.150 nan 0.000 0.478 12 H N -0.848 118.206 119.070 -0.027 0.000 2.286 12 H HA 0.397 4.952 4.556 -0.000 0.000 0.163 12 H C 0.391 175.709 175.328 -0.017 0.000 1.015 12 H CA 0.689 56.726 56.048 -0.020 0.000 1.107 12 H CB 0.218 29.965 29.762 -0.024 0.000 1.050 12 H HN 0.556 nan 8.280 nan 0.000 0.360 19 T N 0.341 114.886 114.554 -0.015 0.000 2.860 19 T HA 0.419 4.769 4.350 -0.000 0.000 0.299 19 T C 1.280 175.964 174.700 -0.027 0.000 1.045 19 T CA -0.666 61.422 62.100 -0.020 0.000 1.071 19 T CB 0.422 69.279 68.868 -0.019 0.000 0.985 19 T HN 0.412 nan 8.240 nan 0.000 0.537 20 L N 1.818 123.015 121.223 -0.044 0.000 2.127 20 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 20 L C 2.834 179.652 176.870 -0.088 0.000 1.089 20 L CA 2.164 56.963 54.840 -0.068 0.000 0.757 20 L CB -1.057 40.950 42.059 -0.087 0.000 0.899 20 L HN 0.975 nan 8.230 nan 0.000 0.434 21 S N -0.592 115.057 115.700 -0.085 0.000 2.359 21 S HA -0.263 4.206 4.470 -0.000 0.000 0.223 21 S C 1.705 176.341 174.600 0.061 0.000 1.039 21 S CA 2.044 60.213 58.200 -0.052 0.000 1.042 21 S CB -0.464 62.786 63.200 0.084 0.000 0.915 21 S HN 0.621 nan 8.310 nan 0.000 0.439 22 D N 0.380 120.806 120.400 0.043 0.000 2.144 22 D HA 0.028 4.668 4.640 -0.000 0.000 0.200 22 D C 2.317 178.637 176.300 0.033 0.000 0.978 22 D CA 0.943 54.971 54.000 0.046 0.000 0.833 22 D CB -0.224 40.589 40.800 0.022 0.000 0.961 22 D HN 0.378 nan 8.370 nan 0.000 0.470 23 R N -0.020 120.484 120.500 0.007 0.000 2.115 23 R HA 0.065 4.405 4.340 -0.000 0.000 0.230 23 R C 2.272 178.573 176.300 0.002 0.000 1.111 23 R CA 0.500 56.600 56.100 -0.000 0.000 0.976 23 R CB -0.217 30.072 30.300 -0.018 0.000 0.870 23 R HN 0.230 nan 8.270 nan 0.000 0.445 24 I N 0.355 120.921 120.570 -0.006 0.000 2.127 24 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 24 I C 1.995 178.154 176.117 0.069 0.000 1.075 24 I CA 1.495 62.797 61.300 0.002 0.000 1.334 24 I CB -0.305 37.680 38.000 -0.024 0.000 1.040 24 I HN 0.115 nan 8.210 nan 0.000 0.405 25 I N 0.336 120.974 120.570 0.115 0.000 2.194 25 I HA -0.371 3.798 4.170 -0.000 0.000 0.246 25 I C 2.584 178.752 176.117 0.086 0.000 1.093 25 I CA 1.626 63.001 61.300 0.126 0.000 1.355 25 I CB -0.438 37.636 38.000 0.124 0.000 1.046 25 I HN 0.337 nan 8.210 nan 0.000 0.413 26 Q N 0.389 120.226 119.800 0.061 0.000 2.119 26 Q HA -0.135 4.204 4.340 -0.000 0.000 0.201 26 Q C 2.248 178.281 176.000 0.055 0.000 0.972 26 Q CA 1.499 57.332 55.803 0.049 0.000 0.847 26 Q CB -0.125 28.633 28.738 0.033 0.000 0.903 26 Q HN 0.720 nan 8.270 nan 0.000 0.433 27 I N -2.961 117.642 120.570 0.055 0.000 3.564 27 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 27 I C 0.705 176.891 176.117 0.114 0.000 1.289 27 I CA -0.080 61.262 61.300 0.070 0.000 1.325 27 I CB 0.035 38.062 38.000 0.045 0.000 1.039 27 I HN 0.065 nan 8.210 nan 0.000 0.474 28 C N 0.646 120.014 119.300 0.113 0.000 3.925 28 C HA 0.625 5.085 4.460 -0.000 0.000 0.259 28 C C 2.476 177.532 174.990 0.111 0.000 3.437 28 C CA 0.318 59.422 59.018 0.144 0.000 1.834 28 C CB 0.211 28.051 27.740 0.166 0.000 3.946 28 C HN 0.534 nan 8.230 nan 0.000 0.494 29 G N 0.367 109.233 108.800 0.110 0.000 3.364 29 G HA2 0.177 4.136 3.960 -0.000 0.000 0.282 29 G HA3 0.177 4.136 3.960 -0.000 0.000 0.282 29 G C 0.609 175.551 174.900 0.069 0.000 1.007 29 G CA 2.036 47.188 45.100 0.086 0.000 0.817 29 G HN 1.975 nan 8.290 nan 0.000 1.152 58 S N 0.124 115.552 115.700 -0.454 0.000 2.536 58 S HA 0.780 5.250 4.470 -0.000 0.000 0.271 58 S C -0.890 173.449 174.600 -0.434 0.000 1.134 58 S CA -0.437 57.500 58.200 -0.438 0.000 0.897 58 S CB 2.325 65.403 63.200 -0.205 0.000 1.094 58 S HN 0.088 nan 8.310 nan 0.000 0.473 59 V N 1.720 121.248 119.914 -0.642 0.000 2.925 59 V HA 0.725 4.845 4.120 -0.000 0.000 0.311 59 V C -0.406 175.547 176.094 -0.234 0.000 1.104 59 V CA -0.679 61.372 62.300 -0.415 0.000 0.954 59 V CB 2.153 33.661 31.823 -0.526 0.000 1.022 59 V HN 1.007 nan 8.190 nan 0.000 0.427 60 T N 5.049 119.587 114.554 -0.028 0.000 2.812 60 T HA 0.818 5.168 4.350 -0.000 0.000 0.282 60 T C -0.678 174.074 174.700 0.087 0.000 0.990 60 T CA -0.299 61.824 62.100 0.039 0.000 0.960 60 T CB 0.990 69.889 68.868 0.052 0.000 0.948 60 T HN 0.446 nan 8.240 nan 0.000 0.438 61 L N 2.165 123.469 121.223 0.135 0.000 2.424 61 L HA 0.575 4.915 4.340 -0.000 0.000 0.258 61 L C -0.800 176.181 176.870 0.186 0.000 0.995 61 L CA -1.193 53.743 54.840 0.161 0.000 0.821 61 L CB 2.365 44.544 42.059 0.200 0.000 1.383 61 L HN 0.456 nan 8.230 nan 0.000 0.410 62 D N 0.485 120.990 120.400 0.175 0.000 2.193 62 D HA 0.395 5.034 4.640 -0.000 0.000 0.249 62 D C -1.508 174.962 176.300 0.283 0.000 1.034 62 D CA 0.123 54.237 54.000 0.191 0.000 0.902 62 D CB 2.235 43.108 40.800 0.120 0.000 1.182 62 D HN 0.287 nan 8.370 nan 0.000 0.436 63 Y N 0.876 121.260 120.300 0.139 0.000 2.307 63 Y HA 0.202 4.752 4.550 -0.000 0.000 0.323 63 Y C -0.887 175.112 175.900 0.165 0.000 1.100 63 Y CA -0.803 57.381 58.100 0.139 0.000 1.140 63 Y CB 0.990 39.533 38.460 0.138 0.000 1.159 63 Y HN 0.081 nan 8.280 nan 0.000 0.436 64 K N 5.001 125.178 120.400 -0.372 0.000 2.338 64 K HA 0.593 4.913 4.320 -0.000 0.000 0.290 64 K C 0.059 176.177 176.600 -0.802 0.000 1.069 64 K CA 0.071 56.126 56.287 -0.387 0.000 0.941 64 K CB 0.549 32.923 32.500 -0.210 0.000 1.023 64 K HN 0.699 nan 8.250 nan 0.000 0.477 65 A N 1.716 124.253 122.820 -0.472 0.000 2.249 65 A HA 0.127 4.446 4.320 -0.000 0.000 0.281 65 A C 1.330 178.842 177.584 -0.121 0.000 1.127 65 A CA -0.058 51.782 52.037 -0.328 0.000 0.833 65 A CB 0.391 19.430 19.000 0.065 0.000 1.140 65 A HN 0.788 nan 8.150 nan 0.000 0.502 66 S N -0.311 115.377 115.700 -0.020 0.000 2.442 66 S HA -0.173 4.297 4.470 -0.000 0.000 0.236 66 S C 1.055 175.661 174.600 0.011 0.000 1.007 66 S CA 1.562 59.763 58.200 0.001 0.000 0.965 66 S CB -0.543 62.672 63.200 0.024 0.000 0.773 66 S HN 0.816 nan 8.310 nan 0.000 0.504 67 D N 0.997 121.421 120.400 0.039 0.000 2.348 67 D HA 0.122 4.762 4.640 -0.000 0.000 0.216 67 D C 1.523 177.839 176.300 0.026 0.000 0.970 67 D CA 0.885 54.915 54.000 0.050 0.000 0.889 67 D CB -1.034 39.827 40.800 0.102 0.000 0.912 67 D HN 0.708 nan 8.370 nan 0.000 0.524 68 G N -0.019 108.782 108.800 0.003 0.000 2.157 68 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.239 68 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.239 68 G C -0.071 174.804 174.900 -0.043 0.000 0.982 68 G CA 0.178 45.261 45.100 -0.028 0.000 0.650 68 G HN 0.544 nan 8.290 nan 0.000 0.527 69 E N 0.379 120.565 120.200 -0.023 0.000 2.214 69 E HA 0.602 4.952 4.350 -0.000 0.000 0.274 69 E C -0.143 176.362 176.600 -0.158 0.000 0.977 69 E CA -0.372 55.956 56.400 -0.121 0.000 0.827 69 E CB 0.927 30.508 29.700 -0.199 0.000 1.130 69 E HN 0.082 nan 8.360 nan 0.000 0.394 70 T N 3.177 117.598 114.554 -0.221 0.000 2.743 70 T HA 0.259 4.608 4.350 -0.000 0.000 0.293 70 T C -1.108 173.454 174.700 -0.230 0.000 0.945 70 T CA -0.086 61.934 62.100 -0.133 0.000 1.030 70 T CB 0.002 68.826 68.868 -0.073 0.000 0.912 70 T HN 0.243 nan 8.240 nan 0.000 0.483 71 Y N 1.948 122.293 120.300 0.074 0.000 2.335 71 Y HA 0.342 4.892 4.550 -0.000 0.000 0.338 71 Y C 0.631 176.616 175.900 0.141 0.000 0.977 71 Y CA -0.970 57.200 58.100 0.116 0.000 1.114 71 Y CB 1.359 39.916 38.460 0.161 0.000 1.182 71 Y HN 0.500 nan 8.280 nan 0.000 0.463 72 Q N 4.793 124.731 119.800 0.230 0.000 2.323 72 Q HA 0.361 4.701 4.340 -0.000 0.000 0.257 72 Q C -1.531 174.614 176.000 0.241 0.000 1.022 72 Q CA -0.291 55.627 55.803 0.191 0.000 0.919 72 Q CB 0.370 29.177 28.738 0.116 0.000 1.220 72 Q HN 0.709 nan 8.270 nan 0.000 0.427 73 L N 4.429 125.813 121.223 0.268 0.000 2.265 73 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 73 L C -0.289 176.724 176.870 0.238 0.000 1.033 73 L CA -0.702 54.346 54.840 0.346 0.000 0.814 73 L CB 0.939 43.273 42.059 0.458 0.000 1.203 73 L HN 0.520 nan 8.230 nan 0.000 0.423 74 N N 4.787 123.579 118.700 0.154 0.000 2.476 74 N HA 0.429 5.168 4.740 -0.000 0.000 0.257 74 N C -1.066 174.325 175.510 -0.197 0.000 0.970 74 N CA -0.248 52.798 53.050 -0.008 0.000 0.938 74 N CB 2.146 40.641 38.487 0.013 0.000 1.144 74 N HN 0.472 nan 8.380 nan 0.000 0.500 75 F N 1.059 120.739 119.950 -0.451 0.000 2.532 75 F HA 0.743 5.270 4.527 -0.000 0.000 0.321 75 F C -1.205 174.377 175.800 -0.362 0.000 1.089 75 F CA -1.085 56.474 58.000 -0.736 0.000 0.926 75 F CB 0.943 39.090 39.000 -1.421 0.000 1.168 75 F HN 0.104 nan 8.300 nan 0.000 0.459 76 I N 2.949 123.465 120.570 -0.090 0.000 2.474 76 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 76 I C -0.333 175.825 176.117 0.069 0.000 1.005 76 I CA -0.518 60.729 61.300 -0.089 0.000 1.113 76 I CB 1.335 39.294 38.000 -0.068 0.000 1.289 76 I HN 0.599 nan 8.210 nan 0.000 0.436 77 D N 2.891 123.293 120.400 0.003 0.000 2.362 77 D HA 0.264 4.904 4.640 -0.000 0.000 0.242 77 D C -0.694 175.601 176.300 -0.009 0.000 1.132 77 D CA 0.279 54.300 54.000 0.035 0.000 0.907 77 D CB 0.974 41.756 40.800 -0.030 0.000 1.195 77 D HN 0.475 nan 8.370 nan 0.000 0.429 78 T N 4.415 118.970 114.554 0.000 0.000 3.009 78 T HA 0.321 4.671 4.350 -0.000 0.000 0.346 78 T C -2.318 172.379 174.700 -0.005 0.000 1.092 78 T CA -1.136 60.960 62.100 -0.007 0.000 1.080 78 T CB 1.510 70.383 68.868 0.007 0.000 1.037 78 T HN 0.264 nan 8.240 nan 0.000 0.487 79 P HA 0.210 nan 4.420 nan 0.000 0.264 79 P C 0.467 177.826 177.300 0.098 0.000 1.193 79 P CA -0.133 62.982 63.100 0.024 0.000 0.763 79 P CB 0.604 32.284 31.700 -0.034 0.000 0.810 80 G N 1.545 110.406 108.800 0.102 0.000 3.860 80 G HA2 0.230 4.190 3.960 -0.000 0.000 0.269 80 G HA3 0.230 4.190 3.960 -0.000 0.000 0.269 80 G C -0.459 174.514 174.900 0.122 0.000 1.112 80 G CA 0.010 45.161 45.100 0.085 0.000 1.674 80 G HN 0.639 nan 8.290 nan 0.000 0.628 81 H N -0.323 118.799 119.070 0.087 0.000 2.894 81 H HA 0.283 4.839 4.556 -0.000 0.000 0.367 81 H C 0.883 176.150 175.328 -0.100 0.000 1.144 81 H CA -0.807 55.224 56.048 -0.029 0.000 1.180 81 H CB 2.287 31.991 29.762 -0.097 0.000 1.758 81 H HN 0.049 nan 8.280 nan 0.000 0.541 82 V N 0.253 120.014 119.914 -0.256 0.000 3.444 82 V HA -0.022 4.097 4.120 -0.000 0.000 0.271 82 V C 1.022 177.019 176.094 -0.161 0.000 1.188 82 V CA 1.206 63.395 62.300 -0.184 0.000 1.168 82 V CB -0.255 31.389 31.823 -0.299 0.000 0.810 82 V HN 0.668 nan 8.190 nan 0.000 0.500 83 D N 1.319 121.615 120.400 -0.172 0.000 2.224 83 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 83 D C 1.119 177.138 176.300 -0.468 0.000 0.965 83 D CA 1.224 54.965 54.000 -0.431 0.000 0.852 83 D CB -0.161 40.227 40.800 -0.687 0.000 0.947 83 D HN 0.670 nan 8.370 nan 0.000 0.494 84 F N -0.105 119.853 119.950 0.013 0.000 2.819 84 F HA 0.263 4.790 4.527 -0.000 0.000 0.294 84 F C 2.026 177.839 175.800 0.022 0.000 1.166 84 F CA -0.456 57.546 58.000 0.004 0.000 1.374 84 F CB 0.192 39.190 39.000 -0.003 0.000 0.956 84 F HN -0.254 nan 8.300 nan 0.000 0.509 85 S N 0.616 116.379 115.700 0.105 0.000 2.378 85 S HA -0.328 4.141 4.470 -0.000 0.000 0.229 85 S C 2.107 176.789 174.600 0.137 0.000 1.052 85 S CA 2.052 60.305 58.200 0.088 0.000 1.084 85 S CB -0.375 62.857 63.200 0.053 0.000 0.950 85 S HN 0.618 nan 8.310 nan 0.000 0.440 86 Y N 1.911 122.230 120.300 0.031 0.000 2.109 86 Y HA -0.077 4.473 4.550 -0.000 0.000 0.285 86 Y C 2.278 178.201 175.900 0.039 0.000 1.131 86 Y CA 2.143 60.255 58.100 0.020 0.000 1.121 86 Y CB -0.789 37.664 38.460 -0.012 0.000 0.987 86 Y HN 0.357 nan 8.280 nan 0.000 0.495 87 E N -0.592 119.604 120.200 -0.006 0.000 2.097 87 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 87 E C 2.241 178.779 176.600 -0.102 0.000 1.000 87 E CA 1.914 58.253 56.400 -0.101 0.000 0.804 87 E CB -0.377 29.338 29.700 0.025 0.000 0.740 87 E HN 0.371 nan 8.360 nan 0.000 0.454 88 V N 1.496 121.404 119.914 -0.011 0.000 2.295 88 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 88 V C 2.611 178.678 176.094 -0.045 0.000 1.049 88 V CA 2.079 64.374 62.300 -0.009 0.000 1.024 88 V CB -0.759 31.087 31.823 0.039 0.000 0.648 88 V HN 0.385 nan 8.190 nan 0.000 0.447 89 S N 0.199 115.864 115.700 -0.057 0.000 2.419 89 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 89 S C 2.041 176.576 174.600 -0.108 0.000 1.016 89 S CA 0.920 59.086 58.200 -0.056 0.000 0.974 89 S CB -0.352 62.840 63.200 -0.013 0.000 0.786 89 S HN 0.455 nan 8.310 nan 0.000 0.492 90 R N 1.429 121.797 120.500 -0.219 0.000 2.073 90 R HA 0.226 4.566 4.340 -0.000 0.000 0.229 90 R C 2.676 178.918 176.300 -0.097 0.000 1.120 90 R CA 1.255 57.232 56.100 -0.205 0.000 0.967 90 R CB -1.664 28.430 30.300 -0.343 0.000 0.862 90 R HN 0.490 nan 8.270 nan 0.000 0.436 91 S N 1.404 117.054 115.700 -0.083 0.000 2.399 91 S HA -0.020 4.449 4.470 -0.000 0.000 0.231 91 S C 2.012 176.600 174.600 -0.021 0.000 1.022 91 S CA 0.870 59.044 58.200 -0.043 0.000 0.983 91 S CB -0.126 63.048 63.200 -0.043 0.000 0.803 91 S HN 0.183 nan 8.310 nan 0.000 0.480 92 L N 0.669 121.881 121.223 -0.019 0.000 2.179 92 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 92 L C 2.593 179.470 176.870 0.011 0.000 1.096 92 L CA 0.896 55.738 54.840 0.004 0.000 0.779 92 L CB -0.488 41.574 42.059 0.006 0.000 0.922 92 L HN 0.291 nan 8.230 nan 0.000 0.443 93 A N -0.033 122.786 122.820 -0.001 0.000 2.067 93 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 93 A C 2.456 180.050 177.584 0.018 0.000 1.158 93 A CA 1.404 53.448 52.037 0.011 0.000 0.661 93 A CB -0.456 18.546 19.000 0.005 0.000 0.801 93 A HN 0.382 nan 8.150 nan 0.000 0.452 94 A N -1.191 121.636 122.820 0.012 0.000 1.968 94 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 94 A C 1.192 178.795 177.584 0.032 0.000 1.169 94 A CA 0.997 53.045 52.037 0.018 0.000 0.638 94 A CB -0.724 18.282 19.000 0.009 0.000 0.812 94 A HN 0.526 nan 8.150 nan 0.000 0.446 95 C N -1.141 118.182 119.300 0.038 0.000 2.382 95 C HA 0.563 5.023 4.460 -0.000 0.000 0.363 95 C C 1.318 176.351 174.990 0.072 0.000 1.213 95 C CA -0.341 58.716 59.018 0.065 0.000 2.363 95 C CB 1.066 28.852 27.740 0.077 0.000 2.397 95 C HN 0.618 nan 8.230 nan 0.000 0.573 96 E N -0.093 120.164 120.200 0.094 0.000 2.460 96 E HA 0.296 4.645 4.350 -0.000 0.000 0.200 96 E C 0.836 177.482 176.600 0.078 0.000 1.011 96 E CA 0.311 56.759 56.400 0.079 0.000 0.912 96 E CB 0.538 30.285 29.700 0.078 0.000 0.953 96 E HN 0.900 nan 8.360 nan 0.000 0.494 97 G N -0.739 108.127 108.800 0.110 0.000 2.721 97 G HA2 0.771 4.731 3.960 -0.000 0.000 0.296 97 G HA3 0.771 4.731 3.960 -0.000 0.000 0.296 97 G C -1.533 173.448 174.900 0.135 0.000 1.383 97 G CA -0.256 44.900 45.100 0.093 0.000 0.788 97 G HN 0.108 nan 8.290 nan 0.000 0.500 98 A N -0.691 122.184 122.820 0.093 0.000 2.574 98 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 98 A C -1.288 176.321 177.584 0.042 0.000 1.062 98 A CA -0.568 51.533 52.037 0.108 0.000 0.686 98 A CB 1.201 20.239 19.000 0.063 0.000 1.285 98 A HN 0.796 nan 8.150 nan 0.000 0.403 99 L N 1.815 123.069 121.223 0.052 0.000 2.264 99 L HA 0.447 4.787 4.340 -0.000 0.000 0.289 99 L C -0.681 176.173 176.870 -0.027 0.000 1.044 99 L CA -0.764 54.060 54.840 -0.027 0.000 0.807 99 L CB 1.348 43.369 42.059 -0.062 0.000 1.192 99 L HN 0.650 nan 8.230 nan 0.000 0.425 100 L N 5.555 126.751 121.223 -0.044 0.000 2.268 100 L HA 0.322 4.662 4.340 -0.000 0.000 0.289 100 L C -0.339 176.501 176.870 -0.050 0.000 1.064 100 L CA -0.010 54.802 54.840 -0.047 0.000 0.824 100 L CB 1.140 43.166 42.059 -0.055 0.000 1.202 100 L HN 0.270 nan 8.230 nan 0.000 0.433 101 V N 6.379 126.266 119.914 -0.044 0.000 2.348 101 V HA 0.391 4.511 4.120 -0.000 0.000 0.270 101 V C -0.097 175.978 176.094 -0.031 0.000 1.037 101 V CA -0.569 61.706 62.300 -0.043 0.000 0.872 101 V CB 1.245 33.041 31.823 -0.045 0.000 1.002 101 V HN 0.465 nan 8.190 nan 0.000 0.464 102 V N 3.604 123.497 119.914 -0.034 0.000 2.417 102 V HA 0.345 4.464 4.120 -0.000 0.000 0.291 102 V C 0.062 176.142 176.094 -0.024 0.000 1.024 102 V CA -0.775 61.508 62.300 -0.030 0.000 0.861 102 V CB 1.915 33.715 31.823 -0.038 0.000 0.985 102 V HN 0.821 nan 8.190 nan 0.000 0.436 103 D N 3.694 124.084 120.400 -0.017 0.000 2.412 103 D HA 0.133 4.773 4.640 -0.000 0.000 0.257 103 D C 1.147 177.437 176.300 -0.017 0.000 1.217 103 D CA 0.526 54.518 54.000 -0.013 0.000 0.897 103 D CB 1.808 42.605 40.800 -0.006 0.000 1.132 103 D HN 0.690 nan 8.370 nan 0.000 0.493 104 A N 3.635 126.446 122.820 -0.015 0.000 2.131 104 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 104 A C 1.927 179.506 177.584 -0.009 0.000 1.158 104 A CA 1.672 53.701 52.037 -0.013 0.000 0.665 104 A CB -0.273 18.719 19.000 -0.013 0.000 0.795 104 A HN 0.642 nan 8.150 nan 0.000 0.460 105 G N -1.410 107.385 108.800 -0.008 0.000 2.417 105 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.212 105 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.212 105 G C 1.579 176.475 174.900 -0.006 0.000 1.187 105 G CA 0.655 45.753 45.100 -0.004 0.000 0.804 105 G HN 0.446 nan 8.290 nan 0.000 0.534 106 Q N 0.297 120.088 119.800 -0.015 0.000 1.937 106 Q HA 0.339 4.679 4.340 -0.000 0.000 0.198 106 Q C 1.430 177.413 176.000 -0.028 0.000 0.977 106 Q CA 1.272 57.058 55.803 -0.028 0.000 0.836 106 Q CB -0.729 27.977 28.738 -0.052 0.000 0.899 106 Q HN 0.565 nan 8.270 nan 0.000 0.437 107 G N -0.293 108.484 108.800 -0.039 0.000 2.318 107 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.367 107 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.367 107 G C -1.542 173.319 174.900 -0.065 0.000 1.260 107 G CA -0.307 44.768 45.100 -0.041 0.000 1.055 107 G HN 0.311 nan 8.290 nan 0.000 0.484 108 V N 1.662 121.535 119.914 -0.068 0.000 2.472 108 V HA 0.757 4.877 4.120 -0.000 0.000 0.290 108 V C -0.032 176.005 176.094 -0.095 0.000 1.037 108 V CA 0.194 62.442 62.300 -0.087 0.000 0.908 108 V CB 1.227 32.995 31.823 -0.090 0.000 0.985 108 V HN 0.982 nan 8.190 nan 0.000 0.454 109 E N 4.992 125.121 120.200 -0.117 0.000 2.312 109 E HA 0.591 4.940 4.350 -0.000 0.000 0.267 109 E C 0.557 177.112 176.600 -0.075 0.000 0.894 109 E CA -0.366 55.969 56.400 -0.109 0.000 0.773 109 E CB 2.106 31.690 29.700 -0.193 0.000 1.241 109 E HN 0.607 nan 8.360 nan 0.000 0.432 110 A N 1.748 124.550 122.820 -0.031 0.000 1.986 110 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 110 A C 2.153 179.712 177.584 -0.042 0.000 1.171 110 A CA 2.192 54.224 52.037 -0.008 0.000 0.640 110 A CB -0.756 18.277 19.000 0.056 0.000 0.811 110 A HN 0.726 nan 8.150 nan 0.000 0.451 111 Q N 0.010 119.792 119.800 -0.029 0.000 2.119 111 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 111 Q C 1.757 177.724 176.000 -0.055 0.000 0.972 111 Q CA 2.147 57.924 55.803 -0.044 0.000 0.847 111 Q CB -1.789 26.970 28.738 0.035 0.000 0.903 111 Q HN 0.690 nan 8.270 nan 0.000 0.433 112 T N -1.955 112.571 114.554 -0.046 0.000 3.160 112 T HA 0.168 4.518 4.350 -0.000 0.000 0.257 112 T C 1.799 176.385 174.700 -0.190 0.000 1.147 112 T CA 0.218 62.270 62.100 -0.079 0.000 1.064 112 T CB -0.112 68.728 68.868 -0.046 0.000 0.949 112 T HN 0.203 nan 8.240 nan 0.000 0.526 113 L N 0.112 121.183 121.223 -0.253 0.000 2.200 113 L HA 0.375 4.714 4.340 -0.000 0.000 0.200 113 L C 3.219 179.692 176.870 -0.661 0.000 1.072 113 L CA 0.727 55.239 54.840 -0.547 0.000 0.787 113 L CB -0.664 41.137 42.059 -0.430 0.000 0.957 113 L HN 0.301 nan 8.230 nan 0.000 0.459 114 A N 0.749 123.409 122.820 -0.267 0.000 1.908 114 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 114 A C 1.928 179.457 177.584 -0.092 0.000 1.181 114 A CA 2.144 54.125 52.037 -0.093 0.000 0.627 114 A CB -0.605 18.366 19.000 -0.048 0.000 0.818 114 A HN 0.444 nan 8.150 nan 0.000 0.445 115 N N -0.974 117.654 118.700 -0.119 0.000 2.331 115 N HA -0.087 4.652 4.740 -0.000 0.000 0.180 115 N C 1.519 176.970 175.510 -0.098 0.000 1.019 115 N CA 1.179 54.184 53.050 -0.075 0.000 0.881 115 N CB -0.862 37.593 38.487 -0.054 0.000 0.972 115 N HN 0.560 nan 8.380 nan 0.000 0.435 116 C N -0.160 119.012 119.300 -0.213 0.000 2.492 116 C HA 0.072 4.532 4.460 -0.000 0.000 0.279 116 C C 2.302 177.206 174.990 -0.144 0.000 1.335 116 C CA 0.032 58.918 59.018 -0.220 0.000 1.734 116 C CB -1.070 26.468 27.740 -0.337 0.000 2.027 116 C HN 0.449 nan 8.230 nan 0.000 0.496 117 Y N 1.343 121.617 120.300 -0.043 0.000 2.200 117 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 117 Y C 2.894 178.778 175.900 -0.027 0.000 1.137 117 Y CA 1.604 59.677 58.100 -0.045 0.000 1.163 117 Y CB -0.765 37.647 38.460 -0.080 0.000 0.988 117 Y HN 0.411 nan 8.280 nan 0.000 0.518 118 T N -1.673 112.952 114.554 0.118 0.000 2.867 118 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 118 T C 2.022 176.752 174.700 0.050 0.000 1.057 118 T CA 0.840 62.984 62.100 0.073 0.000 1.136 118 T CB -0.590 68.310 68.868 0.053 0.000 0.874 118 T HN 0.348 nan 8.240 nan 0.000 0.466 119 A N 1.520 124.358 122.820 0.031 0.000 1.972 119 A HA 0.123 4.442 4.320 -0.000 0.000 0.219 119 A C 2.383 179.988 177.584 0.036 0.000 1.169 119 A CA 1.485 53.536 52.037 0.024 0.000 0.635 119 A CB -0.688 18.315 19.000 0.005 0.000 0.810 119 A HN 0.586 nan 8.150 nan 0.000 0.446 120 M N -1.713 117.918 119.600 0.051 0.000 2.466 120 M HA 0.032 4.511 4.480 -0.000 0.000 0.265 120 M C 1.693 178.024 176.300 0.052 0.000 1.122 120 M CA 0.728 56.061 55.300 0.054 0.000 1.157 120 M CB -0.183 32.459 32.600 0.071 0.000 1.352 120 M HN 0.355 nan 8.290 nan 0.000 0.464 121 E N 0.878 121.114 120.200 0.060 0.000 2.333 121 E HA -0.050 4.299 4.350 -0.000 0.000 0.198 121 E C 0.094 176.720 176.600 0.044 0.000 1.007 121 E CA 0.651 57.081 56.400 0.049 0.000 0.845 121 E CB -0.041 29.692 29.700 0.053 0.000 0.766 121 E HN 0.482 nan 8.360 nan 0.000 0.507 122 M N 0.864 120.490 119.600 0.043 0.000 2.336 122 M HA 0.184 4.663 4.480 -0.000 0.000 0.342 122 M C -0.476 175.846 176.300 0.037 0.000 1.128 122 M CA -0.515 54.808 55.300 0.039 0.000 1.016 122 M CB 1.649 34.272 32.600 0.038 0.000 1.665 122 M HN -0.258 nan 8.290 nan 0.000 0.445 123 D N 4.927 125.347 120.400 0.034 0.000 2.429 123 D HA 0.218 4.858 4.640 -0.000 0.000 0.253 123 D C -0.803 175.517 176.300 0.033 0.000 1.294 123 D CA 0.604 54.623 54.000 0.032 0.000 1.063 123 D CB 0.032 40.849 40.800 0.029 0.000 1.096 123 D HN 0.405 nan 8.370 nan 0.000 0.516 124 L N 1.227 122.470 121.223 0.033 0.000 2.354 124 L HA 0.317 4.656 4.340 -0.000 0.000 0.269 124 L C 0.613 177.499 176.870 0.027 0.000 1.005 124 L CA -0.982 53.879 54.840 0.035 0.000 0.819 124 L CB 2.355 44.438 42.059 0.040 0.000 1.311 124 L HN -0.064 nan 8.230 nan 0.000 0.423 125 E N 2.321 122.535 120.200 0.024 0.000 2.129 125 E HA 0.169 4.519 4.350 -0.000 0.000 0.283 125 E C -0.837 175.763 176.600 0.001 0.000 1.080 125 E CA -0.232 56.172 56.400 0.008 0.000 0.867 125 E CB 1.623 31.322 29.700 -0.002 0.000 1.056 125 E HN 0.209 nan 8.360 nan 0.000 0.404 126 V N 4.706 124.617 119.914 -0.004 0.000 2.408 126 V HA 0.071 4.191 4.120 -0.000 0.000 0.267 126 V C 0.338 176.413 176.094 -0.032 0.000 1.047 126 V CA -0.502 61.789 62.300 -0.014 0.000 0.937 126 V CB 1.214 33.030 31.823 -0.012 0.000 0.999 126 V HN 0.298 nan 8.190 nan 0.000 0.472 127 V N 8.878 128.761 119.914 -0.051 0.000 2.348 127 V HA 0.301 4.421 4.120 -0.000 0.000 0.270 127 V C -1.966 174.086 176.094 -0.070 0.000 1.037 127 V CA -1.761 60.495 62.300 -0.074 0.000 0.872 127 V CB 1.420 33.171 31.823 -0.120 0.000 1.002 127 V HN 0.731 nan 8.190 nan 0.000 0.464 128 P HA 0.257 nan 4.420 nan 0.000 0.276 128 P C -0.819 176.444 177.300 -0.062 0.000 1.243 128 P CA -0.049 63.018 63.100 -0.054 0.000 0.768 128 P CB 1.523 33.197 31.700 -0.043 0.000 0.856 129 V N 5.527 125.404 119.914 -0.062 0.000 2.443 129 V HA 0.250 4.370 4.120 -0.000 0.000 0.293 129 V C 0.313 176.376 176.094 -0.051 0.000 1.021 129 V CA -0.661 61.600 62.300 -0.065 0.000 0.848 129 V CB 1.701 33.475 31.823 -0.081 0.000 0.998 129 V HN 0.373 nan 8.190 nan 0.000 0.424 130 L N 5.194 126.390 121.223 -0.045 0.000 2.283 130 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 130 L C 0.498 177.347 176.870 -0.035 0.000 1.073 130 L CA 0.341 55.160 54.840 -0.036 0.000 0.822 130 L CB 0.214 42.255 42.059 -0.030 0.000 1.186 130 L HN 0.641 nan 8.230 nan 0.000 0.436 131 N N 3.103 121.784 118.700 -0.031 0.000 2.472 131 N HA 0.245 4.984 4.740 -0.000 0.000 0.289 131 N C -0.481 175.016 175.510 -0.021 0.000 1.156 131 N CA -0.717 52.316 53.050 -0.029 0.000 0.940 131 N CB 0.773 39.243 38.487 -0.030 0.000 1.200 131 N HN 0.479 nan 8.380 nan 0.000 0.511 132 K N 1.353 121.741 120.400 -0.020 0.000 3.162 132 K HA -0.157 4.163 4.320 -0.000 0.000 0.268 132 K C 0.792 177.384 176.600 -0.012 0.000 1.062 132 K CA 0.205 56.484 56.287 -0.014 0.000 0.769 132 K CB -1.707 30.786 32.500 -0.010 0.000 1.274 132 K HN 0.515 nan 8.250 nan 0.000 0.478 133 I N -2.454 118.108 120.570 -0.014 0.000 2.756 133 I HA -0.119 4.050 4.170 -0.000 0.000 0.262 133 I C 1.519 177.631 176.117 -0.008 0.000 1.225 133 I CA 1.039 62.333 61.300 -0.011 0.000 1.472 133 I CB -0.135 37.857 38.000 -0.013 0.000 1.094 133 I HN 0.022 nan 8.210 nan 0.000 0.454 134 D N 1.622 122.017 120.400 -0.008 0.000 2.144 134 D HA 0.043 4.683 4.640 -0.000 0.000 0.200 134 D C 1.146 177.444 176.300 -0.004 0.000 0.978 134 D CA 0.791 54.788 54.000 -0.006 0.000 0.833 134 D CB -0.192 40.604 40.800 -0.006 0.000 0.961 134 D HN 0.335 nan 8.370 nan 0.000 0.470 135 L N 2.136 123.356 121.223 -0.004 0.000 2.514 135 L HA 0.014 4.354 4.340 -0.000 0.000 0.280 135 L C -0.926 175.944 176.870 -0.001 0.000 1.223 135 L CA -0.975 53.863 54.840 -0.002 0.000 0.864 135 L CB 0.076 42.133 42.059 -0.002 0.000 1.118 135 L HN -0.017 nan 8.230 nan 0.000 0.494 136 P HA -0.129 nan 4.420 nan 0.000 0.225 136 P C 0.596 177.897 177.300 0.003 0.000 1.148 136 P CA 0.968 64.069 63.100 0.002 0.000 0.779 136 P CB 0.276 31.978 31.700 0.002 0.000 0.780 137 A N -0.877 121.945 122.820 0.003 0.000 2.460 137 A HA 0.558 4.878 4.320 -0.000 0.000 0.258 137 A C 1.046 178.632 177.584 0.004 0.000 1.300 137 A CA -0.190 51.850 52.037 0.005 0.000 0.913 137 A CB -0.467 18.537 19.000 0.007 0.000 1.031 137 A HN 0.221 nan 8.150 nan 0.000 0.512 138 A N -0.003 122.818 122.820 0.001 0.000 2.388 138 A HA 0.505 4.825 4.320 -0.000 0.000 0.257 138 A C -0.349 177.235 177.584 -0.000 0.000 1.095 138 A CA -0.050 51.986 52.037 -0.001 0.000 0.791 138 A CB 0.254 19.251 19.000 -0.004 0.000 1.029 138 A HN 0.168 nan 8.150 nan 0.000 0.489 139 D N 2.423 122.822 120.400 -0.001 0.000 2.429 139 D HA 0.340 4.980 4.640 -0.000 0.000 0.255 139 D C -2.208 174.091 176.300 -0.002 0.000 1.257 139 D CA -1.346 52.654 54.000 0.001 0.000 0.890 139 D CB 1.242 42.045 40.800 0.005 0.000 1.267 139 D HN 0.109 nan 8.370 nan 0.000 0.521 140 P HA -0.104 nan 4.420 nan 0.000 0.215 140 P C 1.007 178.304 177.300 -0.005 0.000 1.157 140 P CA 1.090 64.185 63.100 -0.007 0.000 0.868 140 P CB 0.667 32.362 31.700 -0.008 0.000 0.788 141 E N -1.033 119.166 120.200 -0.002 0.000 2.106 141 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 141 E C 2.198 178.801 176.600 0.004 0.000 0.984 141 E CA 0.722 57.122 56.400 0.001 0.000 0.806 141 E CB -0.491 29.211 29.700 0.002 0.000 0.750 141 E HN 0.053 nan 8.360 nan 0.000 0.458 142 R N 0.345 120.849 120.500 0.006 0.000 2.090 142 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 142 R C 1.835 178.139 176.300 0.007 0.000 1.110 142 R CA 1.061 57.167 56.100 0.011 0.000 0.973 142 R CB -0.067 30.241 30.300 0.013 0.000 0.869 142 R HN 0.132 nan 8.270 nan 0.000 0.440 143 V N 0.889 120.803 119.914 -0.001 0.000 2.488 143 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 143 V C 2.505 178.592 176.094 -0.012 0.000 1.046 143 V CA 1.524 63.818 62.300 -0.009 0.000 1.053 143 V CB -0.499 31.316 31.823 -0.014 0.000 0.679 143 V HN 0.418 nan 8.190 nan 0.000 0.458 144 A N -0.159 122.655 122.820 -0.009 0.000 1.972 144 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 144 A C 2.155 179.737 177.584 -0.004 0.000 1.169 144 A CA 1.911 53.942 52.037 -0.010 0.000 0.635 144 A CB -0.410 18.585 19.000 -0.008 0.000 0.810 144 A HN 0.625 nan 8.150 nan 0.000 0.446 145 E N -0.488 119.714 120.200 0.004 0.000 2.106 145 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 145 E C 1.997 178.604 176.600 0.012 0.000 0.984 145 E CA 1.155 57.563 56.400 0.014 0.000 0.806 145 E CB -0.128 29.585 29.700 0.022 0.000 0.750 145 E HN 0.727 nan 8.360 nan 0.000 0.458 146 E N 0.555 120.755 120.200 -0.000 0.000 2.072 146 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 146 E C 2.130 178.703 176.600 -0.046 0.000 0.985 146 E CA 0.751 57.137 56.400 -0.023 0.000 0.801 146 E CB -0.044 29.641 29.700 -0.026 0.000 0.750 146 E HN 0.257 nan 8.360 nan 0.000 0.452 147 I N 0.951 121.501 120.570 -0.034 0.000 2.226 147 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 147 I C 2.441 178.547 176.117 -0.019 0.000 1.100 147 I CA 1.246 62.525 61.300 -0.036 0.000 1.374 147 I CB -0.136 37.845 38.000 -0.032 0.000 1.057 147 I HN 0.089 nan 8.210 nan 0.000 0.413 148 E N 0.410 120.607 120.200 -0.005 0.000 2.216 148 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 148 E C 1.489 178.106 176.600 0.028 0.000 0.988 148 E CA 0.971 57.379 56.400 0.012 0.000 0.834 148 E CB 0.189 29.898 29.700 0.015 0.000 0.772 148 E HN 0.381 nan 8.360 nan 0.000 0.479 149 D N -0.648 119.764 120.400 0.021 0.000 2.144 149 D HA -0.010 4.630 4.640 -0.000 0.000 0.207 149 D C 1.662 177.965 176.300 0.005 0.000 0.970 149 D CA 0.956 54.995 54.000 0.064 0.000 0.853 149 D CB 0.288 41.142 40.800 0.089 0.000 1.007 149 D HN 0.116 nan 8.370 nan 0.000 0.469 150 I N -0.643 119.828 120.570 -0.165 0.000 2.512 150 I HA -0.087 4.082 4.170 -0.000 0.000 0.247 150 I C 2.129 178.253 176.117 0.012 0.000 1.094 150 I CA 0.318 61.450 61.300 -0.280 0.000 1.427 150 I CB -0.032 37.739 38.000 -0.381 0.000 1.149 150 I HN -0.104 nan 8.210 nan 0.000 0.438 151 V N 0.824 120.750 119.914 0.019 0.000 2.453 151 V HA 0.043 4.163 4.120 -0.000 0.000 0.247 151 V C 1.530 177.693 176.094 0.115 0.000 1.048 151 V CA 1.324 63.680 62.300 0.094 0.000 1.049 151 V CB -1.145 30.669 31.823 -0.015 0.000 0.672 151 V HN 0.740 nan 8.190 nan 0.000 0.457 152 G N 0.641 109.478 108.800 0.061 0.000 2.248 152 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 152 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 152 G C -0.451 174.472 174.900 0.039 0.000 1.082 152 G CA 0.045 45.177 45.100 0.054 0.000 0.863 152 G HN 0.312 nan 8.290 nan 0.000 0.495 153 I N 0.414 120.998 120.570 0.022 0.000 2.412 153 I HA 0.392 4.562 4.170 -0.000 0.000 0.296 153 I C 0.202 176.321 176.117 0.004 0.000 0.987 153 I CA -1.961 59.345 61.300 0.010 0.000 1.180 153 I CB 1.687 39.686 38.000 -0.002 0.000 1.340 153 I HN 0.141 nan 8.210 nan 0.000 0.455 154 D N 5.270 125.671 120.400 0.002 0.000 2.383 154 D HA 0.195 4.834 4.640 -0.000 0.000 0.275 154 D C 0.450 176.744 176.300 -0.009 0.000 1.344 154 D CA 0.515 54.513 54.000 -0.002 0.000 0.984 154 D CB 0.668 41.466 40.800 -0.003 0.000 1.104 154 D HN 0.605 nan 8.370 nan 0.000 0.524 155 A N 2.659 125.474 122.820 -0.009 0.000 2.419 155 A HA 0.030 4.350 4.320 -0.000 0.000 0.233 155 A C 1.924 179.500 177.584 -0.014 0.000 1.217 155 A CA 0.460 52.488 52.037 -0.015 0.000 0.944 155 A CB -0.140 18.851 19.000 -0.014 0.000 1.025 155 A HN 0.543 nan 8.150 nan 0.000 0.524 156 T N -1.902 112.646 114.554 -0.010 0.000 2.803 156 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 156 T C 1.094 175.786 174.700 -0.013 0.000 1.052 156 T CA 1.836 63.931 62.100 -0.009 0.000 1.136 156 T CB -0.293 68.572 68.868 -0.005 0.000 0.864 156 T HN 0.293 nan 8.240 nan 0.000 0.467 157 D N 1.350 121.740 120.400 -0.016 0.000 2.342 157 D HA 0.464 5.104 4.640 -0.000 0.000 0.221 157 D C 0.511 176.794 176.300 -0.028 0.000 1.101 157 D CA -0.197 53.791 54.000 -0.020 0.000 0.837 157 D CB -0.220 40.568 40.800 -0.020 0.000 0.938 157 D HN 0.612 nan 8.370 nan 0.000 0.508 158 A N 0.142 122.944 122.820 -0.029 0.000 2.511 158 A HA 0.284 4.604 4.320 -0.000 0.000 0.242 158 A C 0.341 177.902 177.584 -0.039 0.000 1.069 158 A CA -0.286 51.729 52.037 -0.037 0.000 0.763 158 A CB 0.420 19.399 19.000 -0.035 0.000 1.001 158 A HN 0.093 nan 8.150 nan 0.000 0.498 159 V N 4.578 124.462 119.914 -0.050 0.000 2.572 159 V HA 0.246 4.366 4.120 -0.000 0.000 0.291 159 V C 0.715 176.780 176.094 -0.048 0.000 1.039 159 V CA -0.082 62.187 62.300 -0.052 0.000 1.055 159 V CB 0.240 32.021 31.823 -0.069 0.000 0.969 159 V HN 0.983 nan 8.190 nan 0.000 0.482 160 R N 4.040 124.516 120.500 -0.039 0.000 2.589 160 R HA 0.831 5.170 4.340 -0.000 0.000 0.293 160 R C -0.769 175.510 176.300 -0.035 0.000 0.963 160 R CA -0.522 55.557 56.100 -0.035 0.000 0.905 160 R CB 1.375 31.659 30.300 -0.026 0.000 1.144 160 R HN 0.796 nan 8.270 nan 0.000 0.459 161 C N -1.444 117.835 119.300 -0.035 0.000 3.241 161 C HA 0.735 5.195 4.460 -0.000 0.000 0.312 161 C C -0.155 174.818 174.990 -0.027 0.000 1.350 161 C CA -1.101 57.897 59.018 -0.034 0.000 1.415 161 C CB 1.716 29.429 27.740 -0.046 0.000 1.770 161 C HN 0.902 nan 8.230 nan 0.000 0.466 162 S N 0.152 115.838 115.700 -0.023 0.000 2.472 162 S HA 0.661 5.130 4.470 -0.000 0.000 0.303 162 S C 0.744 175.333 174.600 -0.018 0.000 1.099 162 S CA 0.223 58.413 58.200 -0.018 0.000 1.077 162 S CB 1.497 64.689 63.200 -0.013 0.000 1.031 162 S HN 1.870 nan 8.310 nan 0.000 0.487 163 A N 4.688 127.498 122.820 -0.016 0.000 2.072 163 A HA 0.164 4.483 4.320 -0.000 0.000 0.216 163 A C 1.944 179.522 177.584 -0.010 0.000 1.156 163 A CA 0.626 52.655 52.037 -0.014 0.000 0.701 163 A CB -0.237 18.755 19.000 -0.013 0.000 0.816 163 A HN 0.877 nan 8.150 nan 0.000 0.458 164 K N -0.540 119.855 120.400 -0.009 0.000 2.076 164 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 164 K C 2.083 178.680 176.600 -0.005 0.000 1.051 164 K CA 1.792 58.075 56.287 -0.006 0.000 0.949 164 K CB -0.120 32.377 32.500 -0.005 0.000 0.726 164 K HN 0.657 nan 8.250 nan 0.000 0.443 165 T N -4.148 110.402 114.554 -0.006 0.000 3.018 165 T HA 0.209 4.559 4.350 -0.000 0.000 0.246 165 T C 1.489 176.187 174.700 -0.004 0.000 1.026 165 T CA 0.580 62.677 62.100 -0.004 0.000 1.081 165 T CB 0.718 69.584 68.868 -0.003 0.000 0.970 165 T HN 0.305 nan 8.240 nan 0.000 0.475 166 G N 1.576 110.371 108.800 -0.009 0.000 2.175 166 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 166 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 166 G C 0.237 175.129 174.900 -0.013 0.000 0.982 166 G CA 0.143 45.236 45.100 -0.011 0.000 0.641 166 G HN 1.544 nan 8.290 nan 0.000 0.527 167 V N -1.481 118.426 119.914 -0.011 0.000 2.872 167 V HA 0.608 4.728 4.120 -0.000 0.000 0.307 167 V C 1.740 177.822 176.094 -0.020 0.000 1.072 167 V CA 1.037 63.331 62.300 -0.011 0.000 1.148 167 V CB 1.037 32.855 31.823 -0.007 0.000 0.954 167 V HN 2.251 nan 8.190 nan 0.000 0.490 168 G N 2.181 110.968 108.800 -0.022 0.000 2.245 168 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 168 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 168 G C 0.544 175.412 174.900 -0.054 0.000 0.985 168 G CA 0.511 45.590 45.100 -0.034 0.000 0.625 168 G HN 1.286 nan 8.290 nan 0.000 0.536 169 V N 0.642 120.524 119.914 -0.055 0.000 2.548 169 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 169 V C 2.633 178.660 176.094 -0.112 0.000 1.055 169 V CA 2.676 64.927 62.300 -0.081 0.000 1.065 169 V CB -0.080 31.704 31.823 -0.065 0.000 0.681 169 V HN 0.600 nan 8.190 nan 0.000 0.462 170 Q N -0.127 119.627 119.800 -0.076 0.000 2.119 170 Q HA -0.243 4.097 4.340 -0.000 0.000 0.201 170 Q C 1.843 177.790 176.000 -0.088 0.000 0.972 170 Q CA 1.773 57.528 55.803 -0.079 0.000 0.847 170 Q CB -0.049 28.708 28.738 0.031 0.000 0.903 170 Q HN 0.596 nan 8.270 nan 0.000 0.433 171 D N -0.370 119.994 120.400 -0.060 0.000 2.219 171 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 171 D C 1.846 178.083 176.300 -0.105 0.000 0.970 171 D CA 0.638 54.602 54.000 -0.060 0.000 0.851 171 D CB 0.047 40.822 40.800 -0.042 0.000 0.943 171 D HN 0.099 nan 8.370 nan 0.000 0.488 172 V N 0.500 120.333 119.914 -0.135 0.000 2.358 172 V HA -0.185 3.934 4.120 -0.000 0.000 0.246 172 V C 2.336 178.279 176.094 -0.252 0.000 1.047 172 V CA 0.958 63.152 62.300 -0.176 0.000 1.035 172 V CB -0.239 31.479 31.823 -0.175 0.000 0.658 172 V HN 0.152 nan 8.190 nan 0.000 0.452 173 L N -0.376 120.664 121.223 -0.306 0.000 2.093 173 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 173 L C 2.507 179.170 176.870 -0.344 0.000 1.085 173 L CA 1.690 56.263 54.840 -0.446 0.000 0.755 173 L CB -0.737 40.885 42.059 -0.728 0.000 0.904 173 L HN 0.305 nan 8.230 nan 0.000 0.435 174 E N -0.761 119.323 120.200 -0.194 0.000 2.047 174 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 174 E C 2.318 178.850 176.600 -0.114 0.000 0.987 174 E CA 0.865 57.228 56.400 -0.060 0.000 0.799 174 E CB -0.100 29.603 29.700 0.005 0.000 0.752 174 E HN 0.233 nan 8.360 nan 0.000 0.449 175 R N 1.436 121.858 120.500 -0.131 0.000 2.082 175 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 175 R C 2.494 178.692 176.300 -0.170 0.000 1.136 175 R CA 1.278 57.300 56.100 -0.130 0.000 0.935 175 R CB -1.138 29.089 30.300 -0.122 0.000 0.842 175 R HN 0.194 nan 8.270 nan 0.000 0.430 176 L N -0.237 120.842 121.223 -0.240 0.000 2.026 176 L HA -0.338 4.002 4.340 -0.000 0.000 0.231 176 L C 2.144 178.862 176.870 -0.253 0.000 1.095 176 L CA 2.252 56.904 54.840 -0.313 0.000 0.810 176 L CB -0.597 41.164 42.059 -0.497 0.000 0.909 176 L HN 0.178 nan 8.230 nan 0.000 0.444 177 V N -0.360 119.393 119.914 -0.269 0.000 2.282 177 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 177 V C 2.670 178.634 176.094 -0.217 0.000 1.057 177 V CA 2.429 64.542 62.300 -0.312 0.000 1.032 177 V CB -0.811 30.700 31.823 -0.520 0.000 0.645 177 V HN 0.514 nan 8.190 nan 0.000 0.447 178 R N -0.504 119.898 120.500 -0.164 0.000 2.092 178 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 178 R C 1.777 178.036 176.300 -0.068 0.000 1.119 178 R CA 1.956 57.998 56.100 -0.097 0.000 0.970 178 R CB -0.081 30.173 30.300 -0.076 0.000 0.864 178 R HN 0.547 nan 8.270 nan 0.000 0.440 179 D N -0.413 119.938 120.400 -0.081 0.000 2.394 179 D HA 0.120 4.759 4.640 -0.000 0.000 0.226 179 D C 0.368 176.642 176.300 -0.043 0.000 0.990 179 D CA 0.337 54.303 54.000 -0.057 0.000 0.902 179 D CB 0.368 41.130 40.800 -0.064 0.000 1.038 179 D HN 0.128 nan 8.370 nan 0.000 0.499 180 I N 4.159 124.694 120.570 -0.058 0.000 2.452 180 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 180 I C -2.021 174.099 176.117 0.004 0.000 1.079 180 I CA -1.618 59.669 61.300 -0.022 0.000 1.387 180 I CB 0.898 38.883 38.000 -0.024 0.000 1.404 180 I HN -0.171 nan 8.210 nan 0.000 0.522 181 P HA 0.180 nan 4.420 nan 0.000 0.272 181 P C -2.577 174.760 177.300 0.062 0.000 1.230 181 P CA -1.389 61.734 63.100 0.039 0.000 0.788 181 P CB -0.187 31.535 31.700 0.036 0.000 0.949 182 P HA 0.214 nan 4.420 nan 0.000 0.274 182 P C -2.334 175.009 177.300 0.071 0.000 1.237 182 P CA -1.725 61.428 63.100 0.088 0.000 0.793 182 P CB -1.036 30.721 31.700 0.094 0.000 0.977 183 P HA 0.150 nan 4.420 nan 0.000 0.269 183 P C -0.456 176.871 177.300 0.044 0.000 1.215 183 P CA 0.350 63.483 63.100 0.056 0.000 0.780 183 P CB 0.806 32.539 31.700 0.054 0.000 0.898 184 E N 0.010 120.232 120.200 0.037 0.000 2.199 184 E HA 0.679 5.028 4.350 -0.000 0.000 0.269 184 E C -0.188 176.426 176.600 0.024 0.000 0.899 184 E CA -0.803 55.615 56.400 0.030 0.000 0.772 184 E CB 1.979 31.697 29.700 0.028 0.000 1.155 184 E HN 0.697 nan 8.360 nan 0.000 0.408 185 G N 1.636 110.448 108.800 0.020 0.000 2.387 185 G HA2 0.105 4.065 3.960 -0.000 0.000 0.294 185 G HA3 0.105 4.065 3.960 -0.000 0.000 0.294 185 G C -1.853 173.053 174.900 0.011 0.000 1.509 185 G CA -0.760 44.349 45.100 0.015 0.000 0.806 185 G HN 0.427 nan 8.290 nan 0.000 0.546 186 D N 1.040 121.444 120.400 0.008 0.000 2.473 186 D HA 0.438 5.078 4.640 -0.000 0.000 0.226 186 D C -1.406 174.895 176.300 0.001 0.000 1.089 186 D CA -2.050 51.952 54.000 0.004 0.000 0.883 186 D CB 2.021 42.824 40.800 0.004 0.000 1.029 186 D HN -0.047 nan 8.370 nan 0.000 0.517 187 P HA -0.113 nan 4.420 nan 0.000 0.218 187 P C 0.689 177.985 177.300 -0.008 0.000 1.146 187 P CA 0.927 64.024 63.100 -0.005 0.000 0.813 187 P CB 0.538 32.234 31.700 -0.006 0.000 0.778 188 E N -1.102 119.095 120.200 -0.006 0.000 2.447 188 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 188 E C 1.287 177.883 176.600 -0.006 0.000 1.028 188 E CA -0.035 56.360 56.400 -0.007 0.000 0.876 188 E CB -0.655 29.041 29.700 -0.006 0.000 0.885 188 E HN 0.101 nan 8.360 nan 0.000 0.500 189 G N 1.749 110.547 108.800 -0.004 0.000 2.634 189 G HA2 0.199 4.159 3.960 -0.000 0.000 0.255 189 G HA3 0.199 4.159 3.960 -0.000 0.000 0.255 189 G C -2.267 172.630 174.900 -0.005 0.000 1.205 189 G CA -1.051 44.047 45.100 -0.003 0.000 0.884 189 G HN -0.024 nan 8.290 nan 0.000 0.549 190 P HA -0.010 nan 4.420 nan 0.000 0.264 190 P C 0.340 177.635 177.300 -0.007 0.000 1.183 190 P CA -0.131 62.965 63.100 -0.007 0.000 0.763 190 P CB 0.719 32.416 31.700 -0.006 0.000 0.807 191 L N 3.755 124.972 121.223 -0.010 0.000 2.499 191 L HA -0.021 4.319 4.340 -0.000 0.000 0.273 191 L C 0.300 177.164 176.870 -0.009 0.000 1.195 191 L CA 0.785 55.618 54.840 -0.011 0.000 0.882 191 L CB -0.100 41.950 42.059 -0.015 0.000 1.133 191 L HN 0.465 nan 8.230 nan 0.000 0.483 192 Q N 4.517 124.313 119.800 -0.007 0.000 2.303 192 Q HA 0.539 4.879 4.340 -0.000 0.000 0.267 192 Q C -1.063 174.935 176.000 -0.004 0.000 1.011 192 Q CA -0.528 55.272 55.803 -0.005 0.000 0.740 192 Q CB 2.196 30.934 28.738 0.001 0.000 1.250 192 Q HN 0.744 nan 8.270 nan 0.000 0.458 193 A N 3.059 125.875 122.820 -0.006 0.000 2.323 193 A HA 0.446 4.766 4.320 -0.000 0.000 0.305 193 A C -1.007 176.578 177.584 0.002 0.000 1.275 193 A CA -0.616 51.418 52.037 -0.005 0.000 0.804 193 A CB 0.575 19.567 19.000 -0.014 0.000 1.152 193 A HN 0.653 nan 8.150 nan 0.000 0.487 194 L N 3.653 124.883 121.223 0.012 0.000 2.418 194 L HA 0.371 4.710 4.340 -0.000 0.000 0.274 194 L C -0.415 176.470 176.870 0.026 0.000 1.135 194 L CA 0.081 54.935 54.840 0.023 0.000 0.870 194 L CB -0.092 41.982 42.059 0.026 0.000 1.154 194 L HN 0.557 nan 8.230 nan 0.000 0.462 195 I N 7.185 127.776 120.570 0.035 0.000 2.406 195 I HA 0.036 4.206 4.170 -0.000 0.000 0.293 195 I C 1.167 177.311 176.117 0.046 0.000 1.101 195 I CA 0.627 61.951 61.300 0.041 0.000 1.334 195 I CB 0.425 38.454 38.000 0.047 0.000 1.421 195 I HN 0.712 nan 8.210 nan 0.000 0.513 196 I N 3.475 124.073 120.570 0.048 0.000 2.277 196 I HA -0.027 4.143 4.170 -0.000 0.000 0.243 196 I C 0.611 176.760 176.117 0.053 0.000 1.094 196 I CA 1.193 62.514 61.300 0.035 0.000 1.393 196 I CB 0.021 38.047 38.000 0.045 0.000 1.078 196 I HN 0.574 nan 8.210 nan 0.000 0.417 197 D N -1.297 119.176 120.400 0.120 0.000 2.623 197 D HA 0.419 5.059 4.640 -0.000 0.000 0.241 197 D C -1.481 174.940 176.300 0.202 0.000 1.241 197 D CA -0.263 53.845 54.000 0.181 0.000 0.788 197 D CB 2.024 42.965 40.800 0.235 0.000 1.413 197 D HN -0.177 nan 8.370 nan 0.000 0.429 198 S N 0.962 116.774 115.700 0.186 0.000 2.541 198 S HA 0.817 5.287 4.470 -0.000 0.000 0.280 198 S C -1.341 173.379 174.600 0.199 0.000 1.112 198 S CA -0.915 57.287 58.200 0.003 0.000 0.925 198 S CB 1.138 64.294 63.200 -0.074 0.000 1.067 198 S HN 0.497 nan 8.310 nan 0.000 0.479 199 W N 1.094 122.406 121.300 0.020 0.000 3.042 199 W HA 0.819 5.478 4.660 -0.000 0.000 0.342 199 W C -1.934 174.644 176.519 0.098 0.000 1.240 199 W CA -1.292 56.080 57.345 0.045 0.000 1.166 199 W CB 0.380 29.843 29.460 0.005 0.000 1.469 199 W HN 0.479 nan 8.180 nan 0.000 0.579 200 F N 2.861 122.925 119.950 0.191 0.000 2.420 200 F HA 0.371 4.898 4.527 -0.000 0.000 0.342 200 F C -0.259 175.657 175.800 0.194 0.000 1.113 200 F CA -0.461 57.592 58.000 0.089 0.000 1.059 200 F CB 0.891 39.934 39.000 0.071 0.000 1.128 200 F HN 0.383 nan 8.300 nan 0.000 0.475 201 D N 4.943 125.065 120.400 -0.463 0.000 2.308 201 D HA 0.142 4.782 4.640 -0.000 0.000 0.242 201 D C 0.312 176.359 176.300 -0.422 0.000 1.059 201 D CA -0.313 53.553 54.000 -0.224 0.000 0.830 201 D CB 1.137 41.865 40.800 -0.121 0.000 1.161 201 D HN 0.560 nan 8.370 nan 0.000 0.494 202 N N 2.506 121.171 118.700 -0.059 0.000 2.258 202 N HA -0.227 4.512 4.740 -0.000 0.000 0.187 202 N C 1.107 176.645 175.510 0.047 0.000 1.012 202 N CA 1.086 54.175 53.050 0.065 0.000 0.870 202 N CB -0.087 38.483 38.487 0.138 0.000 0.977 202 N HN 0.594 nan 8.380 nan 0.000 0.434 203 Y N 0.005 120.233 120.300 -0.120 0.000 2.464 203 Y HA 0.199 4.749 4.550 -0.000 0.000 0.288 203 Y C 1.694 177.508 175.900 -0.145 0.000 1.133 203 Y CA 0.227 58.268 58.100 -0.099 0.000 1.223 203 Y CB -0.077 38.342 38.460 -0.069 0.000 1.187 203 Y HN -0.189 nan 8.280 nan 0.000 0.539 204 L N 0.186 121.284 121.223 -0.209 0.000 2.418 204 L HA 0.292 4.632 4.340 -0.000 0.000 0.218 204 L C 1.402 178.056 176.870 -0.360 0.000 1.125 204 L CA 1.264 55.931 54.840 -0.288 0.000 0.835 204 L CB -1.172 40.774 42.059 -0.188 0.000 0.953 204 L HN 0.490 nan 8.230 nan 0.000 0.454 205 G N -0.827 107.647 108.800 -0.543 0.000 2.542 205 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.235 205 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.235 205 G C -0.324 174.167 174.900 -0.681 0.000 1.286 205 G CA -0.443 44.229 45.100 -0.713 0.000 0.904 205 G HN -0.068 nan 8.290 nan 0.000 0.577 206 V N 0.575 120.280 119.914 -0.349 0.000 2.540 206 V HA 0.383 4.503 4.120 -0.000 0.000 0.297 206 V C 0.860 176.726 176.094 -0.381 0.000 1.024 206 V CA 0.301 62.452 62.300 -0.248 0.000 1.105 206 V CB 0.766 32.536 31.823 -0.087 0.000 0.938 206 V HN 0.930 nan 8.190 nan 0.000 0.482 207 V N 4.593 124.128 119.914 -0.631 0.000 2.604 207 V HA 0.532 4.652 4.120 -0.000 0.000 0.305 207 V C 0.018 175.499 176.094 -1.022 0.000 1.043 207 V CA -0.436 61.410 62.300 -0.757 0.000 0.888 207 V CB 2.119 33.434 31.823 -0.846 0.000 0.995 207 V HN 0.834 nan 8.190 nan 0.000 0.429 208 S N 3.490 118.857 115.700 -0.556 0.000 2.537 208 S HA 0.742 5.212 4.470 -0.000 0.000 0.301 208 S C -0.687 173.839 174.600 -0.124 0.000 1.092 208 S CA -0.467 57.504 58.200 -0.382 0.000 1.048 208 S CB 1.783 64.876 63.200 -0.179 0.000 1.053 208 S HN 0.570 nan 8.310 nan 0.000 0.501 209 L N 3.027 124.300 121.223 0.084 0.000 2.325 209 L HA 0.647 4.987 4.340 -0.000 0.000 0.279 209 L C -1.066 175.882 176.870 0.130 0.000 1.054 209 L CA -0.006 54.999 54.840 0.274 0.000 0.804 209 L CB 0.580 42.879 42.059 0.400 0.000 1.200 209 L HN 0.610 nan 8.230 nan 0.000 0.436 210 I N 4.397 125.031 120.570 0.106 0.000 2.619 210 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 210 I C -0.782 175.354 176.117 0.032 0.000 1.100 210 I CA -0.899 60.426 61.300 0.043 0.000 1.043 210 I CB 1.912 39.914 38.000 0.003 0.000 1.239 210 I HN 0.469 nan 8.210 nan 0.000 0.420 211 R N 6.626 127.138 120.500 0.021 0.000 2.387 211 R HA 0.478 4.818 4.340 -0.000 0.000 0.314 211 R C -1.016 175.288 176.300 0.007 0.000 0.958 211 R CA -0.812 55.297 56.100 0.015 0.000 0.846 211 R CB 1.307 31.619 30.300 0.019 0.000 1.147 211 R HN 0.478 nan 8.270 nan 0.000 0.447 212 I N 6.312 126.882 120.570 0.000 0.000 2.294 212 I HA 0.082 4.252 4.170 -0.000 0.000 0.295 212 I C 1.383 177.503 176.117 0.005 0.000 1.098 212 I CA -0.094 61.203 61.300 -0.004 0.000 1.277 212 I CB 0.818 38.808 38.000 -0.016 0.000 1.434 212 I HN 0.367 nan 8.210 nan 0.000 0.498 213 K N 3.945 124.349 120.400 0.007 0.000 2.098 213 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 213 K C 0.358 176.964 176.600 0.010 0.000 1.051 213 K CA 0.870 57.165 56.287 0.013 0.000 0.957 213 K CB 0.147 32.657 32.500 0.016 0.000 0.738 213 K HN 0.481 nan 8.250 nan 0.000 0.447 214 N N -1.491 117.212 118.700 0.004 0.000 2.284 214 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 214 N C -0.631 174.877 175.510 -0.004 0.000 1.179 214 N CA 0.628 53.679 53.050 0.002 0.000 0.774 214 N CB 2.174 40.663 38.487 0.004 0.000 1.548 214 N HN 0.264 nan 8.380 nan 0.000 0.473 215 G N -0.056 108.741 108.800 -0.005 0.000 2.693 215 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.226 215 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.226 215 G C -1.162 173.729 174.900 -0.016 0.000 1.354 215 G CA -0.264 44.830 45.100 -0.010 0.000 0.873 215 G HN 0.658 nan 8.290 nan 0.000 0.562 216 T N 0.148 114.689 114.554 -0.021 0.000 2.921 216 T HA 0.531 4.880 4.350 -0.000 0.000 0.297 216 T C -0.809 173.870 174.700 -0.035 0.000 1.013 216 T CA -0.358 61.725 62.100 -0.029 0.000 0.990 216 T CB 1.778 70.630 68.868 -0.028 0.000 1.023 216 T HN 1.082 nan 8.240 nan 0.000 0.447 217 L N 4.197 125.392 121.223 -0.047 0.000 2.265 217 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 217 L C -0.059 176.769 176.870 -0.070 0.000 1.033 217 L CA -0.081 54.725 54.840 -0.057 0.000 0.814 217 L CB 0.393 42.412 42.059 -0.067 0.000 1.203 217 L HN 0.549 nan 8.230 nan 0.000 0.423 218 R N 3.024 123.488 120.500 -0.060 0.000 2.797 218 R HA 0.426 4.766 4.340 -0.000 0.000 0.251 218 R C 0.628 176.887 176.300 -0.067 0.000 1.107 218 R CA -0.790 55.272 56.100 -0.063 0.000 1.084 218 R CB 1.263 31.535 30.300 -0.047 0.000 1.205 218 R HN 0.560 nan 8.270 nan 0.000 0.515 219 K N 0.582 120.941 120.400 -0.067 0.000 1.963 219 K HA -0.092 4.227 4.320 -0.000 0.000 0.216 219 K C 1.872 178.446 176.600 -0.043 0.000 1.045 219 K CA 1.866 58.114 56.287 -0.065 0.000 0.954 219 K CB -0.759 31.704 32.500 -0.060 0.000 0.732 219 K HN 0.748 nan 8.250 nan 0.000 0.442 220 G N 1.454 110.235 108.800 -0.033 0.000 2.537 220 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 220 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 220 G C -0.013 174.876 174.900 -0.018 0.000 1.111 220 G CA 0.516 45.602 45.100 -0.022 0.000 0.748 220 G HN 0.399 nan 8.290 nan 0.000 0.564 221 D N 0.509 120.896 120.400 -0.023 0.000 2.474 221 D HA 0.150 4.789 4.640 -0.000 0.000 0.232 221 D C 0.720 177.016 176.300 -0.007 0.000 1.177 221 D CA 0.597 54.586 54.000 -0.018 0.000 0.876 221 D CB 0.627 41.413 40.800 -0.024 0.000 1.208 221 D HN 0.499 nan 8.370 nan 0.000 0.464 222 K N -0.228 120.170 120.400 -0.004 0.000 2.334 222 K HA 0.474 4.793 4.320 -0.000 0.000 0.265 222 K C -0.148 176.459 176.600 0.012 0.000 1.039 222 K CA -0.962 55.329 56.287 0.006 0.000 0.920 222 K CB 1.153 33.649 32.500 -0.007 0.000 1.160 222 K HN 0.198 nan 8.250 nan 0.000 0.451 223 V N 0.084 120.022 119.914 0.040 0.000 3.083 223 V HA 0.434 4.554 4.120 -0.000 0.000 0.306 223 V C -0.249 175.882 176.094 0.061 0.000 1.077 223 V CA -0.650 61.678 62.300 0.047 0.000 1.073 223 V CB 1.062 32.917 31.823 0.054 0.000 1.081 223 V HN 0.916 nan 8.190 nan 0.000 0.474 224 K N 1.588 122.015 120.400 0.044 0.000 2.471 224 K HA 0.625 4.945 4.320 -0.000 0.000 0.252 224 K C -1.515 175.110 176.600 0.042 0.000 0.938 224 K CA -0.747 55.561 56.287 0.034 0.000 0.796 224 K CB 2.178 34.674 32.500 -0.007 0.000 1.161 224 K HN 0.708 nan 8.250 nan 0.000 0.425 225 V N 6.472 126.433 119.914 0.079 0.000 2.405 225 V HA 0.068 4.188 4.120 -0.000 0.000 0.264 225 V C 1.477 177.555 176.094 -0.027 0.000 1.048 225 V CA -0.084 62.239 62.300 0.039 0.000 0.966 225 V CB 0.853 32.736 31.823 0.100 0.000 1.015 225 V HN 0.951 nan 8.190 nan 0.000 0.477 226 M N 2.142 121.693 119.600 -0.081 0.000 2.358 226 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 226 M C 1.933 178.147 176.300 -0.144 0.000 1.064 226 M CA 1.233 56.469 55.300 -0.106 0.000 1.093 226 M CB -0.140 32.390 32.600 -0.116 0.000 1.401 226 M HN 0.759 nan 8.290 nan 0.000 0.440 227 S N -0.613 114.963 115.700 -0.207 0.000 2.387 227 S HA -0.084 4.385 4.470 -0.000 0.000 0.221 227 S C 1.977 176.546 174.600 -0.052 0.000 1.041 227 S CA 1.576 59.660 58.200 -0.194 0.000 0.959 227 S CB -0.191 62.803 63.200 -0.344 0.000 0.843 227 S HN 0.483 nan 8.310 nan 0.000 0.488 228 T N 0.010 114.554 114.554 -0.017 0.000 2.851 228 T HA 0.179 4.529 4.350 -0.000 0.000 0.262 228 T C 1.506 176.207 174.700 0.001 0.000 1.043 228 T CA 1.825 63.938 62.100 0.022 0.000 1.140 228 T CB -0.644 68.264 68.868 0.068 0.000 0.872 228 T HN 0.628 nan 8.240 nan 0.000 0.446 229 G N 0.529 109.322 108.800 -0.012 0.000 2.195 229 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 229 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 229 G C 0.074 174.946 174.900 -0.047 0.000 0.984 229 G CA 0.238 45.322 45.100 -0.027 0.000 0.633 229 G HN 0.627 nan 8.290 nan 0.000 0.525 230 Q N 1.373 121.145 119.800 -0.046 0.000 2.373 230 Q HA 0.474 4.814 4.340 -0.000 0.000 0.255 230 Q C 0.678 176.517 176.000 -0.269 0.000 0.980 230 Q CA 0.983 56.687 55.803 -0.166 0.000 0.882 230 Q CB 0.817 29.459 28.738 -0.160 0.000 1.249 230 Q HN 0.576 nan 8.270 nan 0.000 0.438 231 T N -0.718 113.562 114.554 -0.457 0.000 2.940 231 T HA 0.697 5.046 4.350 -0.000 0.000 0.288 231 T C -0.952 173.352 174.700 -0.661 0.000 1.033 231 T CA -0.587 61.292 62.100 -0.367 0.000 1.033 231 T CB 0.853 69.614 68.868 -0.178 0.000 1.079 231 T HN 0.454 nan 8.240 nan 0.000 0.496 232 Y N -0.532 119.755 120.300 -0.021 0.000 2.552 232 Y HA 0.448 4.998 4.550 -0.000 0.000 0.337 232 Y C -0.239 175.646 175.900 -0.025 0.000 1.094 232 Y CA -1.382 56.705 58.100 -0.021 0.000 1.028 232 Y CB 1.877 40.324 38.460 -0.022 0.000 1.321 232 Y HN 0.560 nan 8.280 nan 0.000 0.456 233 N N 1.393 120.175 118.700 0.137 0.000 2.458 233 N HA 0.387 5.127 4.740 -0.000 0.000 0.270 233 N C -0.433 175.108 175.510 0.051 0.000 1.102 233 N CA -0.260 52.828 53.050 0.064 0.000 0.967 233 N CB 1.563 40.071 38.487 0.035 0.000 1.078 233 N HN 0.780 nan 8.380 nan 0.000 0.471 234 A N 2.694 125.526 122.820 0.020 0.000 2.899 234 A HA 0.033 4.353 4.320 -0.000 0.000 0.287 234 A C 0.940 178.512 177.584 -0.020 0.000 1.715 234 A CA -0.236 51.794 52.037 -0.011 0.000 1.393 234 A CB -0.331 18.648 19.000 -0.035 0.000 1.070 234 A HN 0.577 nan 8.150 nan 0.000 0.587 235 D N 1.190 121.586 120.400 -0.007 0.000 2.097 235 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 235 D C 0.694 176.993 176.300 -0.002 0.000 0.989 235 D CA 1.341 55.340 54.000 -0.002 0.000 0.827 235 D CB 0.223 41.025 40.800 0.002 0.000 0.966 235 D HN 0.608 nan 8.370 nan 0.000 0.456 236 R N -0.493 120.015 120.500 0.014 0.000 2.651 236 R HA 0.554 4.894 4.340 -0.000 0.000 0.278 236 R C -0.995 175.226 176.300 -0.132 0.000 1.010 236 R CA -0.698 55.415 56.100 0.022 0.000 0.896 236 R CB 2.298 32.726 30.300 0.214 0.000 1.211 236 R HN -0.044 nan 8.270 nan 0.000 0.456 237 L N -1.541 119.397 121.223 -0.475 0.000 2.502 237 L HA 1.026 5.366 4.340 -0.000 0.000 0.253 237 L C -0.126 175.869 176.870 -1.459 0.000 1.070 237 L CA -0.554 53.674 54.840 -1.021 0.000 0.871 237 L CB 1.791 43.526 42.059 -0.540 0.000 1.487 237 L HN 0.743 nan 8.230 nan 0.000 0.408 238 G N -0.590 107.199 108.800 -1.686 0.000 2.345 238 G HA2 0.454 4.414 3.960 -0.000 0.000 0.285 238 G HA3 0.454 4.414 3.960 -0.000 0.000 0.285 238 G C -1.684 172.575 174.900 -1.068 0.000 1.297 238 G CA -0.243 44.167 45.100 -1.151 0.000 0.875 238 G HN 1.374 nan 8.290 nan 0.000 0.506 239 I N -2.904 117.409 120.570 -0.429 0.000 3.170 239 I HA 0.918 5.087 4.170 -0.000 0.000 0.312 239 I C -1.101 174.968 176.117 -0.079 0.000 1.085 239 I CA -1.567 59.629 61.300 -0.173 0.000 0.999 239 I CB 2.142 40.103 38.000 -0.065 0.000 1.233 239 I HN 0.337 nan 8.210 nan 0.000 0.467 240 F N 0.218 120.288 119.950 0.199 0.000 2.482 240 F HA 0.445 4.971 4.527 -0.000 0.000 0.331 240 F C 1.015 176.834 175.800 0.031 0.000 1.115 240 F CA -0.458 57.613 58.000 0.119 0.000 0.955 240 F CB 2.229 41.261 39.000 0.054 0.000 1.136 240 F HN 0.497 nan 8.300 nan 0.000 0.452 241 T N 2.344 117.026 114.554 0.214 0.000 3.001 241 T HA 0.098 4.448 4.350 -0.000 0.000 0.251 241 T C -1.020 173.733 174.700 0.089 0.000 1.040 241 T CA -0.019 62.153 62.100 0.120 0.000 0.985 241 T CB -0.161 68.764 68.868 0.095 0.000 1.011 241 T HN 0.367 nan 8.240 nan 0.000 0.509 242 P HA 0.119 nan 4.420 nan 0.000 0.236 242 P C 0.060 177.464 177.300 0.174 0.000 1.177 242 P CA 0.285 63.441 63.100 0.093 0.000 0.773 242 P CB 0.033 31.733 31.700 0.001 0.000 0.878 243 K N 1.374 121.849 120.400 0.125 0.000 2.484 243 K HA -0.015 4.305 4.320 -0.000 0.000 0.280 243 K C 0.603 177.300 176.600 0.161 0.000 1.013 243 K CA 0.181 56.539 56.287 0.118 0.000 1.029 243 K CB 0.182 32.723 32.500 0.069 0.000 0.902 243 K HN 0.157 nan 8.250 nan 0.000 0.481 244 Q N 2.568 122.456 119.800 0.146 0.000 2.255 244 Q HA 0.074 4.414 4.340 -0.000 0.000 0.280 244 Q C -1.146 174.901 176.000 0.078 0.000 1.068 244 Q CA -0.013 55.810 55.803 0.032 0.000 0.911 244 Q CB 0.567 29.247 28.738 -0.097 0.000 1.157 244 Q HN 0.271 nan 8.270 nan 0.000 0.380 245 V N 4.625 124.640 119.914 0.167 0.000 2.577 245 V HA 0.198 4.318 4.120 -0.000 0.000 0.303 245 V C -0.844 175.379 176.094 0.215 0.000 1.042 245 V CA -0.954 61.438 62.300 0.154 0.000 0.872 245 V CB 2.132 34.000 31.823 0.075 0.000 0.998 245 V HN 0.819 nan 8.190 nan 0.000 0.423 246 D N 3.874 124.379 120.400 0.174 0.000 2.345 246 D HA 0.442 5.082 4.640 -0.000 0.000 0.247 246 D C 0.106 176.360 176.300 -0.078 0.000 1.108 246 D CA 0.069 54.108 54.000 0.066 0.000 0.894 246 D CB 0.703 41.559 40.800 0.094 0.000 1.203 246 D HN 0.255 nan 8.370 nan 0.000 0.430 247 R N 0.416 120.791 120.500 -0.208 0.000 2.854 247 R HA 0.272 4.612 4.340 -0.000 0.000 0.271 247 R C 0.966 177.169 176.300 -0.162 0.000 0.994 247 R CA -0.555 55.439 56.100 -0.177 0.000 0.945 247 R CB 1.335 31.505 30.300 -0.218 0.000 1.194 247 R HN 0.457 nan 8.270 nan 0.000 0.476 248 T N -0.307 114.180 114.554 -0.112 0.000 2.867 248 T HA -0.087 4.262 4.350 -0.000 0.000 0.268 248 T C 0.290 174.925 174.700 -0.107 0.000 1.057 248 T CA 1.427 63.471 62.100 -0.092 0.000 1.136 248 T CB 0.249 69.079 68.868 -0.064 0.000 0.874 248 T HN 0.672 nan 8.240 nan 0.000 0.466 249 E N -0.550 119.577 120.200 -0.122 0.000 2.407 249 E HA 0.399 4.748 4.350 -0.000 0.000 0.279 249 E C -1.801 174.718 176.600 -0.135 0.000 1.012 249 E CA -0.980 55.349 56.400 -0.118 0.000 0.800 249 E CB 0.692 30.343 29.700 -0.081 0.000 1.276 249 E HN 0.182 nan 8.360 nan 0.000 0.452 250 L N 2.896 124.042 121.223 -0.128 0.000 2.337 250 L HA 0.369 4.708 4.340 -0.000 0.000 0.269 250 L C 0.243 177.069 176.870 -0.074 0.000 1.018 250 L CA -0.734 54.037 54.840 -0.116 0.000 0.876 250 L CB 0.906 42.883 42.059 -0.138 0.000 1.236 250 L HN 0.535 nan 8.230 nan 0.000 0.436 251 K N 0.963 121.329 120.400 -0.058 0.000 2.140 251 K HA 0.249 4.568 4.320 -0.000 0.000 0.237 251 K C -0.015 176.570 176.600 -0.025 0.000 1.045 251 K CA -0.740 55.524 56.287 -0.038 0.000 0.896 251 K CB 0.809 33.290 32.500 -0.031 0.000 1.122 251 K HN 0.340 nan 8.250 nan 0.000 0.503 252 C N 0.771 120.062 119.300 -0.015 0.000 2.648 252 C HA 0.356 4.816 4.460 -0.000 0.000 0.419 252 C C 1.462 176.455 174.990 0.005 0.000 1.352 252 C CA 1.693 60.708 59.018 -0.005 0.000 1.816 252 C CB -1.550 26.189 27.740 -0.002 0.000 2.598 252 C HN 1.021 nan 8.230 nan 0.000 0.598 253 G N 4.417 113.223 108.800 0.011 0.000 2.176 253 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.253 253 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.253 253 G C -0.008 174.908 174.900 0.026 0.000 0.979 253 G CA 0.413 45.527 45.100 0.024 0.000 0.641 253 G HN 0.801 nan 8.290 nan 0.000 0.530 254 E N -0.722 119.484 120.200 0.010 0.000 2.280 254 E HA 0.626 4.976 4.350 -0.000 0.000 0.261 254 E C -0.388 176.213 176.600 0.001 0.000 1.088 254 E CA -0.621 55.782 56.400 0.005 0.000 0.915 254 E CB 2.122 31.812 29.700 -0.016 0.000 1.141 254 E HN 0.127 nan 8.360 nan 0.000 0.433 255 V N 0.560 120.475 119.914 0.002 0.000 2.588 255 V HA 0.731 4.851 4.120 -0.000 0.000 0.304 255 V C 0.173 176.275 176.094 0.013 0.000 1.042 255 V CA -0.390 61.919 62.300 0.014 0.000 0.877 255 V CB 1.626 33.460 31.823 0.019 0.000 0.996 255 V HN 0.855 nan 8.190 nan 0.000 0.425 256 G N 2.932 111.746 108.800 0.024 0.000 2.554 256 G HA2 0.549 4.509 3.960 -0.000 0.000 0.306 256 G HA3 0.549 4.509 3.960 -0.000 0.000 0.306 256 G C -1.691 173.263 174.900 0.090 0.000 1.320 256 G CA -0.664 44.431 45.100 -0.009 0.000 0.800 256 G HN 0.796 nan 8.290 nan 0.000 0.481 257 W N -0.508 120.775 121.300 -0.028 0.000 2.516 257 W HA 0.825 5.485 4.660 -0.000 0.000 0.343 257 W C -1.769 174.701 176.519 -0.082 0.000 1.094 257 W CA -1.380 55.971 57.345 0.010 0.000 1.250 257 W CB 1.467 30.957 29.460 0.050 0.000 1.308 257 W HN 0.590 nan 8.180 nan 0.000 0.588 258 L N 2.909 124.240 121.223 0.181 0.000 2.438 258 L HA 0.536 4.875 4.340 -0.000 0.000 0.270 258 L C -1.550 175.375 176.870 0.090 0.000 0.972 258 L CA -0.685 54.174 54.840 0.031 0.000 0.831 258 L CB 2.065 44.084 42.059 -0.065 0.000 1.273 258 L HN 0.300 nan 8.230 nan 0.000 0.405 259 V N 4.919 124.912 119.914 0.131 0.000 2.275 259 V HA 0.388 4.508 4.120 -0.000 0.000 0.272 259 V C -0.228 175.852 176.094 -0.023 0.000 1.028 259 V CA -0.399 61.931 62.300 0.051 0.000 0.810 259 V CB 0.605 32.513 31.823 0.142 0.000 1.043 259 V HN 0.953 nan 8.190 nan 0.000 0.453 260 C N 2.340 121.583 119.300 -0.094 0.000 2.529 260 C HA 0.874 5.334 4.460 -0.000 0.000 0.329 260 C C 1.057 175.953 174.990 -0.156 0.000 1.194 260 C CA -1.015 57.949 59.018 -0.091 0.000 1.779 260 C CB 1.217 28.915 27.740 -0.070 0.000 2.322 260 C HN 0.857 nan 8.230 nan 0.000 0.500 261 A N 2.116 124.899 122.820 -0.060 0.000 3.004 261 A HA 0.371 4.691 4.320 -0.000 0.000 0.252 261 A C 0.359 177.903 177.584 -0.066 0.000 1.802 261 A CA -0.028 51.984 52.037 -0.041 0.000 1.424 261 A CB -1.140 17.878 19.000 0.029 0.000 1.005 261 A HN 0.786 nan 8.150 nan 0.000 0.631 262 I N 1.281 121.679 120.570 -0.288 0.000 2.556 262 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 262 I C 1.228 177.310 176.117 -0.058 0.000 1.114 262 I CA -0.556 60.534 61.300 -0.350 0.000 1.418 262 I CB 0.878 38.543 38.000 -0.557 0.000 1.394 262 I HN 0.504 nan 8.210 nan 0.000 0.552 263 K N 4.606 125.036 120.400 0.050 0.000 1.977 263 K HA -0.165 4.154 4.320 -0.000 0.000 0.218 263 K C 0.106 176.774 176.600 0.114 0.000 1.051 263 K CA 1.555 57.898 56.287 0.093 0.000 0.953 263 K CB -0.451 32.108 32.500 0.098 0.000 0.727 263 K HN 0.788 nan 8.250 nan 0.000 0.445 264 D N -1.181 119.284 120.400 0.108 0.000 2.493 264 D HA 0.184 4.823 4.640 -0.000 0.000 0.239 264 D C 1.032 177.404 176.300 0.119 0.000 1.049 264 D CA -0.742 53.342 54.000 0.141 0.000 1.008 264 D CB 0.560 41.463 40.800 0.171 0.000 1.398 264 D HN 0.140 nan 8.370 nan 0.000 0.513 265 I N -2.482 118.142 120.570 0.090 0.000 2.700 265 I HA -0.189 3.981 4.170 -0.000 0.000 0.261 265 I C 1.165 177.242 176.117 -0.067 0.000 1.219 265 I CA 0.858 62.146 61.300 -0.020 0.000 1.463 265 I CB -0.612 37.359 38.000 -0.048 0.000 1.092 265 I HN 0.308 nan 8.210 nan 0.000 0.452 266 H N 1.619 120.719 119.070 0.051 0.000 2.491 266 H HA 0.052 4.608 4.556 -0.000 0.000 0.290 266 H C 2.348 177.717 175.328 0.069 0.000 1.050 266 H CA 1.275 57.361 56.048 0.063 0.000 1.309 266 H CB -0.044 29.749 29.762 0.051 0.000 1.392 266 H HN 0.573 nan 8.280 nan 0.000 0.554 267 G N 0.163 109.056 108.800 0.154 0.000 2.650 267 G HA2 0.138 4.097 3.960 -0.000 0.000 0.214 267 G HA3 0.138 4.097 3.960 -0.000 0.000 0.214 267 G C 0.740 175.669 174.900 0.048 0.000 1.136 267 G CA 0.484 45.651 45.100 0.111 0.000 0.789 267 G HN 0.370 nan 8.290 nan 0.000 0.536 268 A N 0.913 123.742 122.820 0.015 0.000 3.105 268 A HA 0.682 5.002 4.320 -0.000 0.000 0.336 268 A C -2.775 174.836 177.584 0.046 0.000 1.042 268 A CA -1.205 50.826 52.037 -0.010 0.000 0.851 268 A CB 0.995 19.941 19.000 -0.090 0.000 1.068 268 A HN 0.066 nan 8.150 nan 0.000 0.477 269 P HA 0.107 nan 4.420 nan 0.000 0.271 269 P C 0.440 177.889 177.300 0.248 0.000 1.220 269 P CA 0.077 63.309 63.100 0.221 0.000 0.768 269 P CB 1.107 33.060 31.700 0.421 0.000 0.848 270 V N 3.834 123.878 119.914 0.215 0.000 2.540 270 V HA 0.337 4.456 4.120 -0.000 0.000 0.297 270 V C 1.304 177.586 176.094 0.314 0.000 1.024 270 V CA 1.771 64.184 62.300 0.189 0.000 1.105 270 V CB -0.546 31.348 31.823 0.118 0.000 0.938 270 V HN 0.966 nan 8.190 nan 0.000 0.482 271 G N 3.936 112.870 108.800 0.223 0.000 2.254 271 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.225 271 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.225 271 G C 0.285 175.451 174.900 0.445 0.000 1.003 271 G CA 0.269 45.561 45.100 0.321 0.000 0.622 271 G HN 0.913 nan 8.290 nan 0.000 0.507 272 D N 1.051 121.675 120.400 0.374 0.000 2.372 272 D HA 0.537 5.176 4.640 -0.000 0.000 0.243 272 D C 0.896 177.186 176.300 -0.017 0.000 1.297 272 D CA 1.291 55.282 54.000 -0.016 0.000 0.958 272 D CB 0.971 41.696 40.800 -0.124 0.000 1.114 272 D HN 0.577 nan 8.370 nan 0.000 0.496 273 T N -0.965 113.533 114.554 -0.094 0.000 2.893 273 T HA 0.583 4.933 4.350 -0.000 0.000 0.293 273 T C -0.599 174.074 174.700 -0.045 0.000 1.027 273 T CA -0.904 61.170 62.100 -0.044 0.000 0.988 273 T CB 0.634 69.481 68.868 -0.035 0.000 1.043 273 T HN 0.215 nan 8.240 nan 0.000 0.461 274 L N 2.814 124.023 121.223 -0.023 0.000 2.307 274 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 274 L C 0.503 177.365 176.870 -0.014 0.000 1.023 274 L CA -0.754 54.077 54.840 -0.014 0.000 0.810 274 L CB 1.907 43.959 42.059 -0.010 0.000 1.231 274 L HN 0.862 nan 8.230 nan 0.000 0.423 275 T N 2.766 117.313 114.554 -0.011 0.000 2.864 275 T HA 0.590 4.940 4.350 -0.000 0.000 0.289 275 T C -0.654 174.041 174.700 -0.008 0.000 1.082 275 T CA -0.551 61.541 62.100 -0.012 0.000 1.009 275 T CB 1.296 70.154 68.868 -0.015 0.000 1.234 275 T HN 0.305 nan 8.240 nan 0.000 0.526 276 L N 2.425 123.642 121.223 -0.011 0.000 2.326 276 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 276 L C 1.698 178.560 176.870 -0.013 0.000 1.092 276 L CA -0.643 54.190 54.840 -0.011 0.000 0.810 276 L CB 1.237 43.288 42.059 -0.013 0.000 1.153 276 L HN 0.934 nan 8.230 nan 0.000 0.439 277 A N 4.104 126.915 122.820 -0.015 0.000 1.933 277 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 277 A C 2.201 179.773 177.584 -0.020 0.000 1.175 277 A CA 1.472 53.496 52.037 -0.021 0.000 0.628 277 A CB -0.384 18.600 19.000 -0.028 0.000 0.814 277 A HN 0.920 nan 8.150 nan 0.000 0.444 278 R N -1.040 119.450 120.500 -0.017 0.000 2.148 278 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 278 R C 0.177 176.469 176.300 -0.014 0.000 1.088 278 R CA 1.571 57.662 56.100 -0.016 0.000 0.985 278 R CB -0.323 29.968 30.300 -0.015 0.000 0.880 278 R HN 0.390 nan 8.270 nan 0.000 0.451 279 N N 1.555 120.247 118.700 -0.014 0.000 2.752 279 N HA 0.262 5.002 4.740 -0.000 0.000 0.260 279 N C -2.778 172.725 175.510 -0.012 0.000 1.562 279 N CA -2.281 50.762 53.050 -0.012 0.000 0.788 279 N CB 1.355 39.836 38.487 -0.011 0.000 1.192 279 N HN 0.046 nan 8.380 nan 0.000 0.503 280 P HA 0.170 nan 4.420 nan 0.000 0.271 280 P C -0.390 176.903 177.300 -0.011 0.000 1.216 280 P CA -0.291 62.801 63.100 -0.014 0.000 0.771 280 P CB 0.903 32.594 31.700 -0.016 0.000 0.864 281 A N 2.889 125.702 122.820 -0.011 0.000 2.511 281 A HA -0.016 4.304 4.320 -0.000 0.000 0.242 281 A C 1.579 179.158 177.584 -0.008 0.000 1.069 281 A CA -0.084 51.948 52.037 -0.008 0.000 0.763 281 A CB -0.401 18.595 19.000 -0.008 0.000 1.001 281 A HN 0.705 nan 8.150 nan 0.000 0.498 282 E N 1.402 121.599 120.200 -0.004 0.000 2.077 282 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 282 E C 0.582 177.182 176.600 -0.001 0.000 0.989 282 E CA 1.296 57.694 56.400 -0.002 0.000 0.800 282 E CB 0.056 29.756 29.700 0.001 0.000 0.746 282 E HN 0.601 nan 8.360 nan 0.000 0.452 283 K N -0.354 120.047 120.400 0.001 0.000 2.324 283 K HA 0.482 4.802 4.320 -0.000 0.000 0.253 283 K C -1.453 175.149 176.600 0.002 0.000 0.932 283 K CA -0.547 55.743 56.287 0.005 0.000 0.799 283 K CB 1.811 34.319 32.500 0.013 0.000 1.154 283 K HN 0.073 nan 8.250 nan 0.000 0.425 284 A N 4.080 126.898 122.820 -0.002 0.000 2.354 284 A HA 0.326 4.646 4.320 -0.000 0.000 0.269 284 A C -0.176 177.419 177.584 0.018 0.000 1.109 284 A CA -0.554 51.476 52.037 -0.011 0.000 0.800 284 A CB 0.095 19.066 19.000 -0.047 0.000 1.045 284 A HN 0.807 nan 8.150 nan 0.000 0.489 285 L N 2.697 123.933 121.223 0.022 0.000 2.559 285 L HA 0.108 4.448 4.340 -0.000 0.000 0.282 285 L C -1.744 175.176 176.870 0.084 0.000 1.232 285 L CA -0.897 53.971 54.840 0.047 0.000 0.885 285 L CB -0.121 41.965 42.059 0.045 0.000 1.131 285 L HN 0.513 nan 8.230 nan 0.000 0.498 286 P HA 0.267 nan 4.420 nan 0.000 0.275 286 P C 0.598 177.980 177.300 0.136 0.000 1.228 286 P CA 0.036 63.200 63.100 0.107 0.000 0.786 286 P CB 1.267 33.015 31.700 0.080 0.000 0.927 287 G N 0.848 109.752 108.800 0.173 0.000 2.255 287 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.196 287 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.196 287 G C -0.208 174.884 174.900 0.321 0.000 0.998 287 G CA -0.598 44.624 45.100 0.204 0.000 0.656 287 G HN 0.528 nan 8.290 nan 0.000 0.490 288 F N 3.864 123.917 119.950 0.172 0.000 2.506 288 F HA 0.558 5.084 4.527 -0.000 0.000 0.371 288 F C 0.606 176.461 175.800 0.092 0.000 1.078 288 F CA 0.287 58.404 58.000 0.194 0.000 1.195 288 F CB 0.490 39.563 39.000 0.122 0.000 1.099 288 F HN 0.261 nan 8.300 nan 0.000 0.548 289 K N 5.275 125.215 120.400 -0.767 0.000 2.543 289 K HA 0.316 4.636 4.320 -0.000 0.000 0.255 289 K C -1.606 174.344 176.600 -1.084 0.000 0.934 289 K CA -1.241 54.547 56.287 -0.832 0.000 0.810 289 K CB 1.558 33.773 32.500 -0.476 0.000 1.315 289 K HN 0.252 nan 8.250 nan 0.000 0.433 290 K N 2.684 122.615 120.400 -0.782 0.000 2.292 290 K HA 0.173 4.493 4.320 -0.000 0.000 0.290 290 K C -0.577 175.769 176.600 -0.423 0.000 1.083 290 K CA -0.452 55.523 56.287 -0.520 0.000 0.918 290 K CB 0.857 33.203 32.500 -0.257 0.000 1.089 290 K HN 0.539 nan 8.250 nan 0.000 0.473 291 V N 5.290 124.925 119.914 -0.464 0.000 2.521 291 V HA 0.018 4.137 4.120 -0.000 0.000 0.286 291 V C 0.846 176.813 176.094 -0.212 0.000 1.034 291 V CA 0.124 62.217 62.300 -0.345 0.000 1.045 291 V CB 0.368 32.002 31.823 -0.315 0.000 0.974 291 V HN 0.510 nan 8.190 nan 0.000 0.480 292 K N 6.769 127.048 120.400 -0.202 0.000 2.144 292 K HA 0.381 4.700 4.320 -0.000 0.000 0.270 292 K C -2.220 174.293 176.600 -0.145 0.000 1.005 292 K CA -1.532 54.655 56.287 -0.167 0.000 0.932 292 K CB 0.878 33.271 32.500 -0.179 0.000 1.021 292 K HN 0.468 nan 8.250 nan 0.000 0.462 293 P HA -0.104 nan 4.420 nan 0.000 0.262 293 P C -0.327 176.882 177.300 -0.152 0.000 1.182 293 P CA 0.391 63.385 63.100 -0.177 0.000 0.761 293 P CB 0.822 32.317 31.700 -0.342 0.000 0.795 294 Q N 2.316 122.067 119.800 -0.082 0.000 2.339 294 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 294 Q C -0.258 175.777 176.000 0.059 0.000 0.925 294 Q CA 0.721 56.522 55.803 -0.003 0.000 0.898 294 Q CB 0.456 29.207 28.738 0.021 0.000 1.013 294 Q HN 0.284 nan 8.270 nan 0.000 0.504 295 V N 0.793 120.711 119.914 0.008 0.000 2.823 295 V HA 0.445 4.565 4.120 -0.000 0.000 0.312 295 V C -1.391 174.695 176.094 -0.013 0.000 1.072 295 V CA -0.826 61.549 62.300 0.124 0.000 0.937 295 V CB 1.742 33.681 31.823 0.192 0.000 1.013 295 V HN 0.148 nan 8.190 nan 0.000 0.430 296 Y N 1.110 121.579 120.300 0.282 0.000 2.545 296 Y HA 0.866 5.416 4.550 -0.000 0.000 0.348 296 Y C 0.159 176.251 175.900 0.320 0.000 1.002 296 Y CA -0.661 57.621 58.100 0.303 0.000 1.039 296 Y CB 2.463 41.068 38.460 0.241 0.000 1.271 296 Y HN 0.826 nan 8.280 nan 0.000 0.467 297 A N 0.555 123.674 122.820 0.498 0.000 2.577 297 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 297 A C -0.933 176.858 177.584 0.344 0.000 1.060 297 A CA -0.341 51.932 52.037 0.394 0.000 0.697 297 A CB 0.817 20.032 19.000 0.359 0.000 1.281 297 A HN 0.984 nan 8.150 nan 0.000 0.402 298 G N 0.851 109.835 108.800 0.308 0.000 2.325 298 G HA2 0.555 4.515 3.960 -0.000 0.000 0.298 298 G HA3 0.555 4.515 3.960 -0.000 0.000 0.298 298 G C -0.538 174.425 174.900 0.106 0.000 1.134 298 G CA -0.320 44.909 45.100 0.214 0.000 0.876 298 G HN 0.672 nan 8.290 nan 0.000 0.452 299 L N 2.115 123.249 121.223 -0.149 0.000 2.313 299 L HA 0.579 4.918 4.340 -0.000 0.000 0.283 299 L C -0.959 175.737 176.870 -0.289 0.000 1.013 299 L CA -0.630 54.208 54.840 -0.003 0.000 0.816 299 L CB 1.535 43.785 42.059 0.317 0.000 1.236 299 L HN 0.381 nan 8.230 nan 0.000 0.419 300 F N 2.766 122.822 119.950 0.176 0.000 2.556 300 F HA 0.481 5.007 4.527 -0.000 0.000 0.314 300 F C -2.293 173.503 175.800 -0.006 0.000 1.106 300 F CA -2.549 55.550 58.000 0.165 0.000 0.911 300 F CB 1.689 40.771 39.000 0.136 0.000 1.190 300 F HN 0.243 nan 8.300 nan 0.000 0.448 301 P HA 0.073 nan 4.420 nan 0.000 0.268 301 P C 0.799 178.160 177.300 0.101 0.000 1.204 301 P CA 0.007 63.132 63.100 0.042 0.000 0.768 301 P CB 0.929 32.719 31.700 0.151 0.000 0.842 302 V N 1.470 121.411 119.914 0.044 0.000 2.343 302 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 302 V C 1.270 177.400 176.094 0.061 0.000 1.051 302 V CA 2.128 64.458 62.300 0.050 0.000 1.036 302 V CB -0.527 31.311 31.823 0.025 0.000 0.654 302 V HN 0.651 nan 8.190 nan 0.000 0.451 303 S N -0.425 115.313 115.700 0.063 0.000 2.456 303 S HA 0.240 4.709 4.470 -0.000 0.000 0.316 303 S C 1.259 175.926 174.600 0.112 0.000 1.089 303 S CA -0.028 58.216 58.200 0.074 0.000 1.101 303 S CB 1.571 64.805 63.200 0.057 0.000 0.995 303 S HN 0.527 nan 8.310 nan 0.000 0.468 304 S N 3.235 119.010 115.700 0.126 0.000 2.465 304 S HA -0.132 4.338 4.470 -0.000 0.000 0.241 304 S C 0.908 175.613 174.600 0.174 0.000 1.000 304 S CA 1.176 59.478 58.200 0.169 0.000 0.964 304 S CB -0.426 62.859 63.200 0.142 0.000 0.763 304 S HN 0.790 nan 8.310 nan 0.000 0.512 305 D N 1.799 122.276 120.400 0.129 0.000 2.310 305 D HA -0.017 4.622 4.640 -0.000 0.000 0.212 305 D C 0.946 177.332 176.300 0.143 0.000 0.965 305 D CA 0.750 54.821 54.000 0.118 0.000 0.879 305 D CB -0.346 40.503 40.800 0.081 0.000 0.921 305 D HN 0.446 nan 8.370 nan 0.000 0.510 306 D N -0.555 119.939 120.400 0.157 0.000 2.349 306 D HA -0.094 4.546 4.640 -0.000 0.000 0.224 306 D C 1.607 178.052 176.300 0.241 0.000 1.029 306 D CA 0.015 54.106 54.000 0.152 0.000 0.879 306 D CB -0.066 40.789 40.800 0.091 0.000 0.906 306 D HN 0.286 nan 8.370 nan 0.000 0.528 307 Y N 2.445 122.855 120.300 0.184 0.000 2.128 307 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 307 Y C 2.059 178.091 175.900 0.220 0.000 1.154 307 Y CA 1.681 59.940 58.100 0.265 0.000 1.149 307 Y CB 0.227 38.799 38.460 0.186 0.000 0.976 307 Y HN -0.078 nan 8.280 nan 0.000 0.505 308 E N 0.139 120.459 120.200 0.201 0.000 2.051 308 E HA -0.237 4.112 4.350 -0.000 0.000 0.192 308 E C 2.447 179.039 176.600 -0.014 0.000 0.991 308 E CA 1.237 57.681 56.400 0.073 0.000 0.799 308 E CB -0.854 28.904 29.700 0.096 0.000 0.748 308 E HN 0.569 nan 8.360 nan 0.000 0.449 309 A N 1.344 124.187 122.820 0.038 0.000 1.933 309 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 309 A C 2.016 179.586 177.584 -0.024 0.000 1.175 309 A CA 1.108 53.154 52.037 0.015 0.000 0.628 309 A CB -0.689 18.350 19.000 0.065 0.000 0.814 309 A HN 0.229 nan 8.150 nan 0.000 0.444 310 F N 0.738 120.578 119.950 -0.183 0.000 2.102 310 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 310 F C 2.282 177.796 175.800 -0.477 0.000 1.105 310 F CA 1.709 59.547 58.000 -0.271 0.000 1.239 310 F CB -0.578 38.341 39.000 -0.134 0.000 0.991 310 F HN 0.239 nan 8.300 nan 0.000 0.474 311 R N 0.064 120.226 120.500 -0.563 0.000 2.115 311 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 311 R C 1.771 177.721 176.300 -0.582 0.000 1.111 311 R CA 1.777 57.416 56.100 -0.768 0.000 0.976 311 R CB -0.394 29.660 30.300 -0.410 0.000 0.870 311 R HN 0.213 nan 8.270 nan 0.000 0.445 312 D N 0.017 120.195 120.400 -0.370 0.000 2.183 312 D HA -0.053 4.587 4.640 -0.000 0.000 0.203 312 D C 1.600 177.664 176.300 -0.394 0.000 0.969 312 D CA 1.211 55.038 54.000 -0.287 0.000 0.842 312 D CB -0.003 40.704 40.800 -0.155 0.000 0.957 312 D HN 0.350 nan 8.370 nan 0.000 0.484 313 A N 0.531 123.025 122.820 -0.542 0.000 1.897 313 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 313 A C 2.327 179.462 177.584 -0.749 0.000 1.181 313 A CA 0.683 52.179 52.037 -0.902 0.000 0.620 313 A CB -0.650 17.696 19.000 -1.090 0.000 0.821 313 A HN 0.170 nan 8.150 nan 0.000 0.443 314 L N -0.519 120.214 121.223 -0.817 0.000 2.046 314 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 314 L C 2.860 179.317 176.870 -0.689 0.000 1.077 314 L CA 1.145 55.396 54.840 -0.981 0.000 0.747 314 L CB -0.884 40.062 42.059 -1.855 0.000 0.896 314 L HN 0.467 nan 8.230 nan 0.000 0.432 315 G N 0.040 108.511 108.800 -0.547 0.000 2.476 315 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 315 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 315 G C 1.692 176.497 174.900 -0.158 0.000 1.164 315 G CA 0.888 45.859 45.100 -0.215 0.000 0.768 315 G HN 0.291 nan 8.290 nan 0.000 0.560 316 K N -0.628 119.656 120.400 -0.193 0.000 2.026 316 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 316 K C 2.443 179.019 176.600 -0.039 0.000 1.048 316 K CA 0.835 57.067 56.287 -0.092 0.000 0.929 316 K CB -0.309 32.170 32.500 -0.034 0.000 0.713 316 K HN 0.127 nan 8.250 nan 0.000 0.439 317 L N 1.017 122.197 121.223 -0.071 0.000 2.042 317 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 317 L C 2.390 179.280 176.870 0.033 0.000 1.076 317 L CA 1.580 56.422 54.840 0.003 0.000 0.749 317 L CB -1.137 40.897 42.059 -0.041 0.000 0.893 317 L HN 0.124 nan 8.230 nan 0.000 0.432 318 S N -1.039 114.673 115.700 0.020 0.000 2.419 318 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 318 S C 2.008 176.658 174.600 0.084 0.000 1.019 318 S CA 0.846 59.109 58.200 0.106 0.000 0.982 318 S CB -0.206 63.098 63.200 0.173 0.000 0.789 318 S HN 0.396 nan 8.310 nan 0.000 0.490 319 L N 0.491 121.715 121.223 0.002 0.000 2.275 319 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 319 L C 1.699 178.599 176.870 0.050 0.000 1.119 319 L CA 1.165 55.968 54.840 -0.062 0.000 0.790 319 L CB -0.300 41.620 42.059 -0.230 0.000 0.919 319 L HN 0.342 nan 8.230 nan 0.000 0.443 320 N N -2.567 116.184 118.700 0.086 0.000 2.297 320 N HA 0.004 4.744 4.740 -0.000 0.000 0.208 320 N C 0.009 175.578 175.510 0.100 0.000 1.176 320 N CA -0.119 53.006 53.050 0.125 0.000 0.882 320 N CB 0.780 39.351 38.487 0.139 0.000 1.134 320 N HN -0.000 nan 8.380 nan 0.000 0.489 321 D N 0.679 121.142 120.400 0.105 0.000 2.396 321 D HA 0.270 4.910 4.640 -0.000 0.000 0.225 321 D C 0.504 176.861 176.300 0.095 0.000 1.121 321 D CA -0.159 53.921 54.000 0.134 0.000 0.853 321 D CB 1.359 42.283 40.800 0.206 0.000 1.043 321 D HN 0.220 nan 8.370 nan 0.000 0.500 322 A N 2.726 125.561 122.820 0.026 0.000 2.066 322 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 322 A C 1.770 179.384 177.584 0.049 0.000 1.157 322 A CA 1.418 53.398 52.037 -0.095 0.000 0.670 322 A CB 0.040 18.976 19.000 -0.106 0.000 0.804 322 A HN 0.522 nan 8.150 nan 0.000 0.453 323 S N -1.495 114.270 115.700 0.109 0.000 2.559 323 S HA 0.310 4.780 4.470 -0.000 0.000 0.226 323 S C 0.423 175.143 174.600 0.200 0.000 1.000 323 S CA -0.416 57.854 58.200 0.116 0.000 0.948 323 S CB -0.375 62.840 63.200 0.025 0.000 0.870 323 S HN 0.363 nan 8.310 nan 0.000 0.497 324 L N 2.998 124.382 121.223 0.269 0.000 2.562 324 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 324 L C -0.748 176.220 176.870 0.164 0.000 1.167 324 L CA -0.044 54.930 54.840 0.224 0.000 0.917 324 L CB 0.247 42.425 42.059 0.197 0.000 1.187 324 L HN 0.430 nan 8.230 nan 0.000 0.482 325 F N 7.529 127.405 119.950 -0.123 0.000 2.420 325 F HA 0.533 5.060 4.527 -0.000 0.000 0.342 325 F C -0.673 175.084 175.800 -0.070 0.000 1.113 325 F CA -0.647 57.282 58.000 -0.118 0.000 1.059 325 F CB 0.928 39.854 39.000 -0.123 0.000 1.128 325 F HN 0.384 nan 8.300 nan 0.000 0.475 326 Y N 2.681 122.372 120.300 -1.015 0.000 2.588 326 Y HA 0.707 5.257 4.550 -0.000 0.000 0.343 326 Y C -1.634 173.748 175.900 -0.863 0.000 1.065 326 Y CA -1.442 56.106 58.100 -0.920 0.000 1.038 326 Y CB 1.405 39.504 38.460 -0.601 0.000 1.297 326 Y HN 0.721 nan 8.280 nan 0.000 0.467 327 E N 2.836 122.872 120.200 -0.273 0.000 2.388 327 E HA 0.379 4.729 4.350 -0.000 0.000 0.289 327 E C -3.353 173.353 176.600 0.177 0.000 0.944 327 E CA -2.218 54.122 56.400 -0.101 0.000 0.792 327 E CB 2.899 32.503 29.700 -0.160 0.000 1.239 327 E HN 0.434 nan 8.360 nan 0.000 0.412 328 P HA 0.075 nan 4.420 nan 0.000 0.269 328 P C -0.899 176.395 177.300 -0.010 0.000 1.209 328 P CA 0.260 63.328 63.100 -0.053 0.000 0.776 328 P CB 0.822 32.522 31.700 -0.001 0.000 0.876 329 E N 0.760 120.932 120.200 -0.046 0.000 2.335 329 E HA 0.420 4.770 4.350 -0.000 0.000 0.280 329 E C -1.395 175.303 176.600 0.164 0.000 0.918 329 E CA -0.656 55.800 56.400 0.093 0.000 0.765 329 E CB 1.539 31.336 29.700 0.162 0.000 1.218 329 E HN 0.447 nan 8.360 nan 0.000 0.425 330 S N 1.725 117.470 115.700 0.075 0.000 2.536 330 S HA 0.793 5.263 4.470 -0.000 0.000 0.298 330 S C -0.707 173.812 174.600 -0.134 0.000 1.083 330 S CA -0.710 57.411 58.200 -0.132 0.000 0.995 330 S CB 1.877 64.769 63.200 -0.513 0.000 1.058 330 S HN 0.294 nan 8.310 nan 0.000 0.488 331 S N 1.191 116.747 115.700 -0.240 0.000 2.600 331 S HA 0.494 4.964 4.470 -0.000 0.000 0.300 331 S C 1.036 175.475 174.600 -0.268 0.000 1.087 331 S CA -0.829 57.224 58.200 -0.245 0.000 0.965 331 S CB 1.822 64.817 63.200 -0.342 0.000 1.089 331 S HN 0.797 nan 8.310 nan 0.000 0.496 332 S N 1.527 117.109 115.700 -0.196 0.000 2.368 332 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 332 S C 1.809 176.318 174.600 -0.151 0.000 1.029 332 S CA 0.964 59.068 58.200 -0.161 0.000 0.988 332 S CB -0.472 62.660 63.200 -0.113 0.000 0.838 332 S HN 0.793 nan 8.310 nan 0.000 0.462 333 A N 1.248 123.973 122.820 -0.158 0.000 1.887 333 A HA 0.388 4.708 4.320 -0.000 0.000 0.212 333 A C 2.095 179.579 177.584 -0.166 0.000 1.198 333 A CA 0.442 52.398 52.037 -0.134 0.000 0.628 333 A CB -0.505 18.425 19.000 -0.117 0.000 0.847 333 A HN 0.410 nan 8.150 nan 0.000 0.449 334 L N -1.080 119.974 121.223 -0.282 0.000 2.341 334 L HA 0.282 4.622 4.340 -0.000 0.000 0.214 334 L C 1.501 178.230 176.870 -0.235 0.000 1.115 334 L CA 0.484 55.103 54.840 -0.369 0.000 0.820 334 L CB -0.696 40.842 42.059 -0.868 0.000 0.944 334 L HN 0.652 nan 8.230 nan 0.000 0.452 335 G N -0.099 108.566 108.800 -0.225 0.000 2.568 335 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.222 335 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.222 335 G C -0.591 174.255 174.900 -0.090 0.000 1.321 335 G CA -0.703 44.311 45.100 -0.144 0.000 0.893 335 G HN -0.054 nan 8.290 nan 0.000 0.569 336 F N 2.300 122.298 119.950 0.080 0.000 2.424 336 F HA 0.580 5.107 4.527 -0.000 0.000 0.356 336 F C 1.273 177.281 175.800 0.347 0.000 1.110 336 F CA 1.291 59.309 58.000 0.031 0.000 1.161 336 F CB 1.375 40.095 39.000 -0.467 0.000 1.115 336 F HN 0.892 nan 8.300 nan 0.000 0.507 337 G N 2.285 111.379 108.800 0.490 0.000 2.976 337 G HA2 0.680 4.640 3.960 -0.000 0.000 0.276 337 G HA3 0.680 4.640 3.960 -0.000 0.000 0.276 337 G C -1.989 172.671 174.900 -0.400 0.000 1.207 337 G CA -0.622 44.576 45.100 0.163 0.000 0.803 337 G HN 0.236 nan 8.290 nan 0.000 0.572 338 F N 0.051 119.854 119.950 -0.246 0.000 2.561 338 F HA 0.554 5.081 4.527 -0.000 0.000 0.313 338 F C 0.289 175.971 175.800 -0.196 0.000 1.126 338 F CA -0.725 57.160 58.000 -0.191 0.000 0.918 338 F CB 2.498 41.306 39.000 -0.321 0.000 1.199 338 F HN 0.243 nan 8.300 nan 0.000 0.444 339 R N 2.938 123.494 120.500 0.092 0.000 2.267 339 R HA 0.581 4.921 4.340 -0.000 0.000 0.319 339 R C -1.329 175.048 176.300 0.128 0.000 1.067 339 R CA -0.016 56.173 56.100 0.148 0.000 0.936 339 R CB 0.290 30.708 30.300 0.196 0.000 1.006 339 R HN 0.779 nan 8.270 nan 0.000 0.452 340 C N 2.476 121.874 119.300 0.163 0.000 2.529 340 C HA 0.758 5.218 4.460 -0.000 0.000 0.329 340 C C 0.435 175.376 174.990 -0.081 0.000 1.194 340 C CA -0.608 58.375 59.018 -0.057 0.000 1.779 340 C CB 1.692 29.342 27.740 -0.149 0.000 2.322 340 C HN 0.931 nan 8.230 nan 0.000 0.500 341 G N 1.078 109.645 108.800 -0.388 0.000 2.643 341 G HA2 0.787 4.747 3.960 -0.000 0.000 0.305 341 G HA3 0.787 4.747 3.960 -0.000 0.000 0.305 341 G C -1.385 173.079 174.900 -0.727 0.000 1.387 341 G CA -0.113 44.638 45.100 -0.583 0.000 0.982 341 G HN 0.494 nan 8.290 nan 0.000 0.501 342 F N 0.272 120.160 119.950 -0.105 0.000 2.640 342 F HA 0.445 4.972 4.527 -0.000 0.000 0.324 342 F C 1.255 177.108 175.800 0.088 0.000 1.077 342 F CA -0.993 57.103 58.000 0.161 0.000 0.965 342 F CB 1.869 40.945 39.000 0.126 0.000 1.351 342 F HN 0.288 nan 8.300 nan 0.000 0.487 343 L N 0.776 122.216 121.223 0.361 0.000 2.093 343 L HA 0.199 4.539 4.340 -0.000 0.000 0.208 343 L C 1.136 178.042 176.870 0.061 0.000 1.085 343 L CA 1.404 56.259 54.840 0.025 0.000 0.755 343 L CB -0.569 41.348 42.059 -0.237 0.000 0.904 343 L HN 0.844 nan 8.230 nan 0.000 0.435 344 G N -2.616 106.267 108.800 0.138 0.000 2.364 344 G HA2 0.181 4.141 3.960 -0.000 0.000 0.286 344 G HA3 0.181 4.141 3.960 -0.000 0.000 0.286 344 G C -0.070 174.863 174.900 0.054 0.000 1.241 344 G CA -0.562 44.606 45.100 0.113 0.000 0.887 344 G HN -0.146 nan 8.290 nan 0.000 0.484 345 L N 0.629 121.875 121.223 0.039 0.000 1.970 345 L HA -0.043 4.297 4.340 -0.000 0.000 0.212 345 L C 2.866 179.643 176.870 -0.155 0.000 1.071 345 L CA 1.589 56.401 54.840 -0.045 0.000 0.751 345 L CB -0.343 41.718 42.059 0.003 0.000 0.889 345 L HN 0.544 nan 8.230 nan 0.000 0.432 346 L N -2.664 118.418 121.223 -0.235 0.000 2.395 346 L HA -0.120 4.220 4.340 -0.000 0.000 0.218 346 L C 2.323 179.084 176.870 -0.182 0.000 1.130 346 L CA 1.595 56.271 54.840 -0.273 0.000 0.826 346 L CB -2.267 39.513 42.059 -0.466 0.000 0.941 346 L HN 0.297 nan 8.230 nan 0.000 0.451 347 H N 0.932 119.843 119.070 -0.264 0.000 2.299 347 H HA -0.158 4.398 4.556 -0.000 0.000 0.302 347 H C 2.374 177.618 175.328 -0.139 0.000 1.078 347 H CA 2.435 58.419 56.048 -0.107 0.000 1.323 347 H CB -0.123 29.613 29.762 -0.042 0.000 1.381 347 H HN 0.264 nan 8.280 nan 0.000 0.498 348 M N 0.149 119.448 119.600 -0.502 0.000 2.080 348 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 348 M C 1.787 177.714 176.300 -0.621 0.000 1.068 348 M CA 2.234 56.824 55.300 -1.185 0.000 1.109 348 M CB -0.052 31.833 32.600 -1.191 0.000 1.342 348 M HN 0.401 nan 8.290 nan 0.000 0.405 349 E N 0.112 120.107 120.200 -0.342 0.000 2.274 349 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 349 E C 1.844 178.367 176.600 -0.127 0.000 0.996 349 E CA 1.061 57.347 56.400 -0.190 0.000 0.840 349 E CB -0.093 29.539 29.700 -0.115 0.000 0.772 349 E HN 0.595 nan 8.360 nan 0.000 0.491 350 I N 0.447 120.946 120.570 -0.118 0.000 2.286 350 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 350 I C 2.128 178.221 176.117 -0.040 0.000 1.104 350 I CA 0.834 62.109 61.300 -0.041 0.000 1.397 350 I CB 0.022 38.046 38.000 0.040 0.000 1.072 350 I HN 0.105 nan 8.210 nan 0.000 0.417 351 I N 0.234 120.745 120.570 -0.097 0.000 2.179 351 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 351 I C 2.599 178.714 176.117 -0.004 0.000 1.088 351 I CA 1.474 62.756 61.300 -0.030 0.000 1.357 351 I CB -0.313 37.689 38.000 0.004 0.000 1.051 351 I HN 0.271 nan 8.210 nan 0.000 0.409 352 Q N 0.070 119.827 119.800 -0.072 0.000 2.077 352 Q HA -0.296 4.044 4.340 -0.000 0.000 0.206 352 Q C 2.261 178.257 176.000 -0.008 0.000 0.989 352 Q CA 1.828 57.608 55.803 -0.038 0.000 0.853 352 Q CB -0.241 28.448 28.738 -0.081 0.000 0.907 352 Q HN 0.436 nan 8.270 nan 0.000 0.418 353 E N 0.561 120.749 120.200 -0.020 0.000 2.153 353 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 353 E C 1.956 178.560 176.600 0.007 0.000 0.988 353 E CA 0.856 57.250 56.400 -0.010 0.000 0.811 353 E CB 0.079 29.769 29.700 -0.017 0.000 0.746 353 E HN 0.161 nan 8.360 nan 0.000 0.466 354 R N -0.267 120.251 120.500 0.031 0.000 2.073 354 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 354 R C 2.360 178.756 176.300 0.159 0.000 1.120 354 R CA 0.581 56.716 56.100 0.059 0.000 0.967 354 R CB -0.091 30.266 30.300 0.094 0.000 0.862 354 R HN 0.089 nan 8.270 nan 0.000 0.436 355 L N 1.232 122.575 121.223 0.199 0.000 2.131 355 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 355 L C 2.163 179.124 176.870 0.153 0.000 1.092 355 L CA 1.744 56.736 54.840 0.252 0.000 0.759 355 L CB -0.691 41.445 42.059 0.129 0.000 0.903 355 L HN 0.322 nan 8.230 nan 0.000 0.435 356 E N -1.011 119.228 120.200 0.066 0.000 2.122 356 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 356 E C 2.142 178.747 176.600 0.007 0.000 0.977 356 E CA 0.522 56.935 56.400 0.022 0.000 0.820 356 E CB 0.311 30.011 29.700 -0.001 0.000 0.770 356 E HN 0.418 nan 8.360 nan 0.000 0.462 357 R N -0.212 120.281 120.500 -0.012 0.000 2.121 357 R HA 0.113 4.453 4.340 -0.000 0.000 0.206 357 R C 2.258 178.497 176.300 -0.102 0.000 1.094 357 R CA 0.424 56.496 56.100 -0.047 0.000 1.055 357 R CB 0.026 30.296 30.300 -0.050 0.000 0.964 357 R HN 0.065 nan 8.270 nan 0.000 0.473 358 E N -0.133 119.954 120.200 -0.189 0.000 2.106 358 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 358 E C 0.814 177.108 176.600 -0.509 0.000 0.984 358 E CA 1.252 57.401 56.400 -0.419 0.000 0.806 358 E CB 0.201 29.495 29.700 -0.678 0.000 0.750 358 E HN 0.329 nan 8.360 nan 0.000 0.458 359 Y N -0.517 119.777 120.300 -0.011 0.000 2.444 359 Y HA 0.124 4.674 4.550 -0.000 0.000 0.249 359 Y C 0.136 176.031 175.900 -0.008 0.000 1.134 359 Y CA -0.025 58.072 58.100 -0.006 0.000 1.261 359 Y CB 0.557 39.017 38.460 0.001 0.000 1.143 359 Y HN -0.102 nan 8.280 nan 0.000 0.523 360 D N 0.908 121.355 120.400 0.077 0.000 2.689 360 D HA -0.200 4.440 4.640 -0.000 0.000 0.237 360 D C -1.111 175.215 176.300 0.043 0.000 1.148 360 D CA 0.523 54.546 54.000 0.040 0.000 0.656 360 D CB -1.123 39.691 40.800 0.024 0.000 1.050 360 D HN 0.283 nan 8.370 nan 0.000 0.426 361 L N 1.160 122.406 121.223 0.040 0.000 2.298 361 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 361 L C 0.116 176.955 176.870 -0.052 0.000 1.013 361 L CA -0.964 53.867 54.840 -0.015 0.000 0.824 361 L CB 1.440 43.468 42.059 -0.052 0.000 1.221 361 L HN -0.053 nan 8.230 nan 0.000 0.418 362 D N 5.558 125.928 120.400 -0.050 0.000 2.316 362 D HA 0.505 5.144 4.640 -0.000 0.000 0.245 362 D C -0.437 175.814 176.300 -0.081 0.000 1.171 362 D CA 0.193 54.164 54.000 -0.047 0.000 0.856 362 D CB 1.489 42.277 40.800 -0.020 0.000 1.090 362 D HN 0.229 nan 8.370 nan 0.000 0.476 363 L N 2.631 123.804 121.223 -0.085 0.000 2.408 363 L HA 0.415 4.755 4.340 -0.000 0.000 0.268 363 L C -0.188 176.678 176.870 -0.006 0.000 0.986 363 L CA -1.070 53.707 54.840 -0.106 0.000 0.820 363 L CB 2.229 44.145 42.059 -0.239 0.000 1.303 363 L HN 0.089 nan 8.230 nan 0.000 0.411 364 I N 1.475 122.083 120.570 0.063 0.000 2.496 364 I HA 0.223 4.392 4.170 -0.000 0.000 0.285 364 I C 0.472 176.701 176.117 0.186 0.000 1.080 364 I CA 0.395 61.770 61.300 0.125 0.000 1.404 364 I CB 1.125 39.220 38.000 0.157 0.000 1.403 364 I HN 0.566 nan 8.210 nan 0.000 0.539 365 T N 5.082 119.730 114.554 0.156 0.000 2.848 365 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 365 T C 0.119 174.929 174.700 0.183 0.000 0.995 365 T CA -0.471 61.736 62.100 0.179 0.000 0.970 365 T CB 0.839 69.775 68.868 0.114 0.000 0.976 365 T HN 0.827 nan 8.240 nan 0.000 0.441 366 T N 2.210 116.906 114.554 0.237 0.000 2.788 366 T HA 0.656 5.006 4.350 -0.000 0.000 0.287 366 T C 0.698 175.503 174.700 0.175 0.000 1.007 366 T CA -0.580 61.647 62.100 0.211 0.000 1.005 366 T CB 0.519 69.546 68.868 0.264 0.000 1.012 366 T HN 0.868 nan 8.240 nan 0.000 0.530 367 A N 3.083 125.996 122.820 0.154 0.000 2.522 367 A HA 0.417 4.736 4.320 -0.000 0.000 0.256 367 A C -1.801 175.889 177.584 0.176 0.000 1.086 367 A CA -1.270 50.854 52.037 0.145 0.000 0.763 367 A CB -0.873 18.204 19.000 0.128 0.000 1.024 367 A HN 0.775 nan 8.150 nan 0.000 0.502 368 P HA 0.095 nan 4.420 nan 0.000 0.266 368 P C -0.116 177.315 177.300 0.218 0.000 1.215 368 P CA 0.410 63.631 63.100 0.202 0.000 0.763 368 P CB 0.732 32.525 31.700 0.154 0.000 0.806 369 T N 2.172 116.891 114.554 0.276 0.000 2.855 369 T HA 0.495 4.845 4.350 -0.000 0.000 0.281 369 T C 0.080 174.975 174.700 0.324 0.000 1.007 369 T CA -0.627 61.651 62.100 0.297 0.000 1.009 369 T CB 0.774 69.822 68.868 0.300 0.000 0.983 369 T HN 0.227 nan 8.240 nan 0.000 0.455 370 V N 2.319 122.382 119.914 0.248 0.000 3.234 370 V HA 0.765 4.884 4.120 -0.000 0.000 0.317 370 V C -0.060 176.098 176.094 0.108 0.000 1.081 370 V CA -0.820 61.556 62.300 0.128 0.000 1.037 370 V CB 1.220 33.003 31.823 -0.067 0.000 1.148 370 V HN 0.642 nan 8.190 nan 0.000 0.453 371 V N 2.150 122.134 119.914 0.115 0.000 2.389 371 V HA 0.332 4.452 4.120 -0.000 0.000 0.264 371 V C -0.528 175.681 176.094 0.192 0.000 1.049 371 V CA -0.062 62.361 62.300 0.204 0.000 0.932 371 V CB -0.439 31.527 31.823 0.238 0.000 1.011 371 V HN 0.757 nan 8.190 nan 0.000 0.475 372 Y N 2.442 122.900 120.300 0.264 0.000 2.352 372 Y HA 0.448 4.998 4.550 -0.000 0.000 0.326 372 Y C 0.568 176.480 175.900 0.019 0.000 1.166 372 Y CA -0.557 57.672 58.100 0.215 0.000 1.182 372 Y CB 1.255 39.790 38.460 0.126 0.000 1.216 372 Y HN 0.592 nan 8.280 nan 0.000 0.474 373 E N 2.076 122.214 120.200 -0.104 0.000 2.156 373 E HA 0.583 4.933 4.350 -0.000 0.000 0.279 373 E C -1.748 174.697 176.600 -0.259 0.000 0.965 373 E CA -0.553 55.542 56.400 -0.509 0.000 0.789 373 E CB 0.972 30.048 29.700 -1.041 0.000 1.098 373 E HN 0.453 nan 8.360 nan 0.000 0.397 374 V N 3.669 123.402 119.914 -0.303 0.000 2.735 374 V HA 0.314 4.434 4.120 -0.000 0.000 0.310 374 V C -0.516 175.489 176.094 -0.147 0.000 1.061 374 V CA -0.930 61.279 62.300 -0.152 0.000 0.913 374 V CB 1.773 33.535 31.823 -0.101 0.000 1.005 374 V HN 0.753 nan 8.190 nan 0.000 0.428 375 E N 1.817 121.994 120.200 -0.039 0.000 2.109 375 E HA 0.424 4.774 4.350 -0.000 0.000 0.278 375 E C -0.284 176.341 176.600 0.043 0.000 0.954 375 E CA -0.296 56.108 56.400 0.007 0.000 0.779 375 E CB 1.194 30.963 29.700 0.114 0.000 1.093 375 E HN 0.775 nan 8.360 nan 0.000 0.401 376 T N 2.919 117.469 114.554 -0.007 0.000 2.900 376 T HA -0.075 4.275 4.350 -0.000 0.000 0.307 376 T C 1.417 176.138 174.700 0.034 0.000 1.065 376 T CA 0.350 62.453 62.100 0.005 0.000 1.105 376 T CB 1.177 70.030 68.868 -0.024 0.000 0.979 376 T HN 0.716 nan 8.240 nan 0.000 0.544 377 T N 1.915 116.500 114.554 0.051 0.000 2.649 377 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 377 T C 1.254 175.954 174.700 -0.000 0.000 1.036 377 T CA 1.899 64.036 62.100 0.063 0.000 1.157 377 T CB -0.280 68.616 68.868 0.046 0.000 0.861 377 T HN 0.542 nan 8.240 nan 0.000 0.445 378 S N 1.465 117.154 115.700 -0.019 0.000 2.405 378 S HA 0.283 4.753 4.470 -0.000 0.000 0.291 378 S C -0.040 174.520 174.600 -0.067 0.000 1.137 378 S CA -0.666 57.508 58.200 -0.044 0.000 1.061 378 S CB -0.156 63.025 63.200 -0.032 0.000 1.001 378 S HN 0.432 nan 8.310 nan 0.000 0.507 379 R N 4.139 124.571 120.500 -0.112 0.000 2.561 379 R HA 0.045 4.385 4.340 -0.000 0.000 0.347 379 R C 0.459 176.701 176.300 -0.096 0.000 0.916 379 R CA 0.577 56.590 56.100 -0.145 0.000 1.063 379 R CB -0.336 29.842 30.300 -0.204 0.000 0.916 379 R HN 0.786 nan 8.270 nan 0.000 0.410 380 E N 0.146 120.295 120.200 -0.085 0.000 2.409 380 E HA 0.291 4.641 4.350 -0.000 0.000 0.280 380 E C -1.565 174.975 176.600 -0.102 0.000 1.079 380 E CA -1.025 55.330 56.400 -0.076 0.000 0.840 380 E CB 1.245 30.910 29.700 -0.059 0.000 1.309 380 E HN 0.106 nan 8.360 nan 0.000 0.447 381 V N 2.208 122.048 119.914 -0.123 0.000 2.384 381 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 381 V C 0.063 175.981 176.094 -0.294 0.000 1.020 381 V CA -0.499 61.658 62.300 -0.239 0.000 0.850 381 V CB 0.769 32.445 31.823 -0.244 0.000 0.987 381 V HN 0.611 nan 8.190 nan 0.000 0.436 382 I N 1.645 121.987 120.570 -0.379 0.000 2.785 382 I HA 0.697 4.867 4.170 -0.000 0.000 0.302 382 I C -1.579 174.234 176.117 -0.506 0.000 1.069 382 I CA -1.037 60.075 61.300 -0.314 0.000 1.045 382 I CB 2.370 40.295 38.000 -0.125 0.000 1.236 382 I HN 0.408 nan 8.210 nan 0.000 0.429 383 Y N 3.209 123.474 120.300 -0.057 0.000 2.335 383 Y HA 0.602 5.151 4.550 -0.000 0.000 0.338 383 Y C -0.197 175.688 175.900 -0.024 0.000 0.977 383 Y CA -0.949 57.120 58.100 -0.052 0.000 1.114 383 Y CB 2.139 40.564 38.460 -0.060 0.000 1.182 383 Y HN 0.268 nan 8.280 nan 0.000 0.463 384 V N 4.224 124.225 119.914 0.144 0.000 2.370 384 V HA 0.178 4.298 4.120 -0.000 0.000 0.283 384 V C -0.162 175.987 176.094 0.091 0.000 1.023 384 V CA -0.585 61.769 62.300 0.090 0.000 0.857 384 V CB 1.302 33.169 31.823 0.074 0.000 0.985 384 V HN 0.840 nan 8.190 nan 0.000 0.443 385 D N 2.336 122.699 120.400 -0.061 0.000 2.165 385 D HA 0.007 4.647 4.640 -0.000 0.000 0.213 385 D C 1.193 177.410 176.300 -0.137 0.000 0.983 385 D CA 1.137 54.963 54.000 -0.291 0.000 0.881 385 D CB 0.093 40.496 40.800 -0.661 0.000 1.028 385 D HN 0.646 nan 8.370 nan 0.000 0.457 386 S N 0.807 116.453 115.700 -0.089 0.000 2.480 386 S HA 0.330 4.799 4.470 -0.000 0.000 0.286 386 S C -2.124 172.495 174.600 0.031 0.000 1.180 386 S CA -1.271 56.935 58.200 0.009 0.000 1.075 386 S CB 2.387 65.602 63.200 0.026 0.000 0.996 386 S HN -0.219 nan 8.310 nan 0.000 0.487 387 P HA -0.172 nan 4.420 nan 0.000 0.217 387 P C 1.567 178.869 177.300 0.004 0.000 1.151 387 P CA 1.657 64.767 63.100 0.017 0.000 0.849 387 P CB -0.231 31.486 31.700 0.029 0.000 0.787 388 S N -1.066 114.646 115.700 0.018 0.000 2.528 388 S HA -0.122 4.348 4.470 -0.000 0.000 0.244 388 S C 1.483 176.085 174.600 0.004 0.000 0.982 388 S CA 1.056 59.263 58.200 0.012 0.000 0.953 388 S CB -0.844 62.370 63.200 0.023 0.000 0.754 388 S HN 0.286 nan 8.310 nan 0.000 0.529 389 K N -0.014 120.387 120.400 0.001 0.000 2.353 389 K HA 0.317 4.637 4.320 -0.000 0.000 0.195 389 K C -0.048 176.544 176.600 -0.014 0.000 1.031 389 K CA -0.346 55.938 56.287 -0.004 0.000 1.079 389 K CB 0.091 32.589 32.500 -0.004 0.000 0.857 389 K HN 0.275 nan 8.250 nan 0.000 0.535 390 L N 3.807 125.017 121.223 -0.022 0.000 2.462 390 L HA 0.088 4.427 4.340 -0.000 0.000 0.272 390 L C -2.115 174.734 176.870 -0.034 0.000 1.166 390 L CA -1.570 53.247 54.840 -0.038 0.000 0.880 390 L CB 0.034 42.052 42.059 -0.068 0.000 1.142 390 L HN -0.035 nan 8.230 nan 0.000 0.473 391 P HA 0.055 nan 4.420 nan 0.000 0.270 391 P C -0.893 176.392 177.300 -0.026 0.000 1.227 391 P CA -0.378 62.706 63.100 -0.026 0.000 0.788 391 P CB 0.280 31.964 31.700 -0.026 0.000 0.926 392 A N 1.732 124.541 122.820 -0.019 0.000 2.540 392 A HA 0.062 4.382 4.320 -0.000 0.000 0.239 392 A C 1.698 179.271 177.584 -0.018 0.000 1.061 392 A CA -0.226 51.801 52.037 -0.017 0.000 0.758 392 A CB -0.464 18.529 19.000 -0.011 0.000 0.991 392 A HN 0.385 nan 8.150 nan 0.000 0.502 393 V N 2.859 122.760 119.914 -0.020 0.000 2.453 393 V HA -0.325 3.795 4.120 -0.000 0.000 0.252 393 V C 2.052 178.135 176.094 -0.017 0.000 1.068 393 V CA 2.565 64.851 62.300 -0.024 0.000 1.070 393 V CB -1.412 30.396 31.823 -0.025 0.000 0.664 393 V HN 0.945 nan 8.190 nan 0.000 0.461 394 N N 1.141 119.835 118.700 -0.010 0.000 2.104 394 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 394 N C 1.373 176.885 175.510 0.004 0.000 1.024 394 N CA 1.544 54.592 53.050 -0.004 0.000 0.853 394 N CB -0.436 38.050 38.487 -0.002 0.000 1.008 394 N HN 0.522 nan 8.380 nan 0.000 0.424 395 N N 0.211 118.912 118.700 0.002 0.000 2.314 395 N HA 0.126 4.866 4.740 -0.000 0.000 0.200 395 N C -0.524 174.997 175.510 0.018 0.000 1.135 395 N CA 0.152 53.208 53.050 0.010 0.000 0.835 395 N CB 0.689 39.177 38.487 0.001 0.000 0.989 395 N HN 0.303 nan 8.380 nan 0.000 0.478 396 I N 1.145 121.723 120.570 0.012 0.000 2.307 396 I HA 0.049 4.218 4.170 -0.000 0.000 0.289 396 I C 1.111 177.252 176.117 0.039 0.000 1.021 396 I CA -0.610 60.699 61.300 0.016 0.000 1.224 396 I CB 0.842 38.830 38.000 -0.020 0.000 1.376 396 I HN -0.017 nan 8.210 nan 0.000 0.470 397 Y N 6.331 126.613 120.300 -0.031 0.000 2.130 397 Y HA 0.081 4.631 4.550 -0.000 0.000 0.287 397 Y C 0.756 176.645 175.900 -0.018 0.000 1.124 397 Y CA 1.108 59.194 58.100 -0.023 0.000 1.118 397 Y CB 0.455 38.901 38.460 -0.024 0.000 0.994 397 Y HN 0.529 nan 8.280 nan 0.000 0.497 398 E N 0.748 120.973 120.200 0.040 0.000 2.274 398 E HA 0.286 4.635 4.350 -0.000 0.000 0.269 398 E C -2.161 174.449 176.600 0.017 0.000 0.891 398 E CA -0.882 55.496 56.400 -0.038 0.000 0.784 398 E CB 1.425 31.169 29.700 0.074 0.000 1.225 398 E HN 0.172 nan 8.360 nan 0.000 0.412 399 L N 4.656 125.877 121.223 -0.005 0.000 2.257 399 L HA 0.451 4.791 4.340 -0.000 0.000 0.290 399 L C -0.877 176.044 176.870 0.084 0.000 1.044 399 L CA -0.070 54.781 54.840 0.019 0.000 0.810 399 L CB 0.723 42.774 42.059 -0.013 0.000 1.193 399 L HN 0.498 nan 8.230 nan 0.000 0.425 400 R N 4.032 124.602 120.500 0.117 0.000 2.265 400 R HA 0.320 4.660 4.340 -0.000 0.000 0.328 400 R C -0.600 175.933 176.300 0.389 0.000 0.969 400 R CA -0.435 55.786 56.100 0.202 0.000 0.832 400 R CB 1.201 31.584 30.300 0.138 0.000 1.139 400 R HN 0.697 nan 8.270 nan 0.000 0.457 401 E N 5.576 126.023 120.200 0.411 0.000 2.283 401 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 401 E C -2.163 174.657 176.600 0.368 0.000 1.027 401 E CA -2.224 54.438 56.400 0.438 0.000 0.843 401 E CB 1.083 30.988 29.700 0.341 0.000 1.062 401 E HN 0.219 nan 8.360 nan 0.000 0.401 402 P HA 0.111 nan 4.420 nan 0.000 0.271 402 P C -0.638 176.614 177.300 -0.081 0.000 1.220 402 P CA 0.005 63.114 63.100 0.014 0.000 0.768 402 P CB 0.592 32.303 31.700 0.019 0.000 0.848 403 I N 2.236 122.670 120.570 -0.226 0.000 2.441 403 I HA 0.497 4.667 4.170 -0.000 0.000 0.295 403 I C 0.376 176.322 176.117 -0.285 0.000 0.994 403 I CA -1.103 60.065 61.300 -0.219 0.000 1.144 403 I CB 1.560 39.441 38.000 -0.199 0.000 1.314 403 I HN 0.337 nan 8.210 nan 0.000 0.445 404 A N 5.322 128.029 122.820 -0.188 0.000 2.303 404 A HA 0.440 4.760 4.320 -0.000 0.000 0.320 404 A C -0.092 177.422 177.584 -0.116 0.000 1.192 404 A CA -0.640 51.320 52.037 -0.128 0.000 0.821 404 A CB 0.843 19.782 19.000 -0.101 0.000 1.188 404 A HN 0.768 nan 8.150 nan 0.000 0.492 405 E N 1.655 121.787 120.200 -0.113 0.000 2.257 405 E HA 0.322 4.671 4.350 -0.000 0.000 0.278 405 E C -1.115 175.377 176.600 -0.179 0.000 1.049 405 E CA -0.247 56.052 56.400 -0.167 0.000 0.876 405 E CB 0.371 29.951 29.700 -0.200 0.000 1.035 405 E HN 0.630 nan 8.360 nan 0.000 0.419 406 C N 5.717 124.920 119.300 -0.163 0.000 2.301 406 C HA 0.324 4.783 4.460 -0.000 0.000 0.313 406 C C -0.742 174.215 174.990 -0.054 0.000 1.121 406 C CA -0.918 58.085 59.018 -0.025 0.000 1.507 406 C CB -1.061 26.750 27.740 0.119 0.000 1.975 406 C HN 0.750 nan 8.230 nan 0.000 0.425 407 H N 2.865 122.030 119.070 0.159 0.000 2.767 407 H HA 0.566 5.122 4.556 -0.000 0.000 0.316 407 H C 0.173 175.593 175.328 0.153 0.000 1.059 407 H CA 0.384 56.516 56.048 0.141 0.000 1.461 407 H CB 0.421 30.261 29.762 0.130 0.000 1.475 407 H HN 0.579 nan 8.280 nan 0.000 0.531 408 M N 3.368 123.118 119.600 0.250 0.000 2.446 408 M HA 0.395 4.874 4.480 -0.000 0.000 0.294 408 M C -1.515 174.880 176.300 0.158 0.000 1.158 408 M CA -0.905 54.510 55.300 0.192 0.000 0.899 408 M CB 2.735 35.442 32.600 0.177 0.000 1.687 408 M HN 0.268 nan 8.290 nan 0.000 0.455 409 L N 4.629 125.929 121.223 0.127 0.000 2.341 409 L HA 0.817 5.157 4.340 -0.000 0.000 0.278 409 L C -0.906 176.025 176.870 0.102 0.000 1.005 409 L CA -0.535 54.370 54.840 0.108 0.000 0.818 409 L CB 1.891 44.002 42.059 0.087 0.000 1.259 409 L HN 0.837 nan 8.230 nan 0.000 0.418 410 L N 2.297 123.585 121.223 0.108 0.000 2.556 410 L HA 0.728 5.068 4.340 -0.000 0.000 0.257 410 L C -2.879 174.076 176.870 0.143 0.000 0.955 410 L CA -1.635 53.288 54.840 0.138 0.000 0.850 410 L CB 2.124 44.256 42.059 0.121 0.000 1.398 410 L HN 0.248 nan 8.230 nan 0.000 0.412 411 P HA 0.130 nan 4.420 nan 0.000 0.272 411 P C -0.244 177.111 177.300 0.091 0.000 1.223 411 P CA -0.076 63.107 63.100 0.138 0.000 0.784 411 P CB 0.960 32.732 31.700 0.119 0.000 0.923 412 Q N 1.799 121.623 119.800 0.041 0.000 2.152 412 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 412 Q C 2.154 178.134 176.000 -0.033 0.000 0.985 412 Q CA 2.174 57.998 55.803 0.035 0.000 0.863 412 Q CB -0.656 28.139 28.738 0.096 0.000 0.904 412 Q HN 0.592 nan 8.270 nan 0.000 0.422 413 A N 0.017 122.738 122.820 -0.165 0.000 2.042 413 A HA -0.207 4.113 4.320 -0.000 0.000 0.222 413 A C 1.186 178.526 177.584 -0.406 0.000 1.167 413 A CA 1.484 53.301 52.037 -0.366 0.000 0.649 413 A CB -0.480 18.139 19.000 -0.635 0.000 0.809 413 A HN 0.455 nan 8.150 nan 0.000 0.457 414 Y N -0.793 119.480 120.300 -0.045 0.000 2.442 414 Y HA 0.148 4.698 4.550 -0.000 0.000 0.250 414 Y C 1.888 177.780 175.900 -0.012 0.000 1.113 414 Y CA -0.075 58.002 58.100 -0.037 0.000 1.273 414 Y CB -0.168 38.261 38.460 -0.052 0.000 1.138 414 Y HN 0.291 nan 8.280 nan 0.000 0.522 415 L N -0.959 120.335 121.223 0.118 0.000 2.089 415 L HA -0.080 4.260 4.340 -0.000 0.000 0.213 415 L C 2.101 179.019 176.870 0.081 0.000 1.079 415 L CA 1.982 56.874 54.840 0.088 0.000 0.758 415 L CB -1.788 40.303 42.059 0.054 0.000 0.891 415 L HN 0.134 nan 8.230 nan 0.000 0.433 416 G N -0.307 108.535 108.800 0.070 0.000 2.408 416 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 416 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 416 G C 1.380 176.314 174.900 0.057 0.000 1.150 416 G CA 0.781 45.917 45.100 0.060 0.000 0.776 416 G HN 0.506 nan 8.290 nan 0.000 0.542 417 N N -0.107 118.636 118.700 0.072 0.000 2.494 417 N HA 0.011 4.751 4.740 -0.000 0.000 0.182 417 N C 1.990 177.527 175.510 0.046 0.000 1.076 417 N CA 0.398 53.487 53.050 0.066 0.000 0.908 417 N CB 0.380 38.928 38.487 0.101 0.000 0.967 417 N HN 0.266 nan 8.380 nan 0.000 0.449 418 V N 1.170 121.112 119.914 0.046 0.000 2.521 418 V HA 0.022 4.142 4.120 -0.000 0.000 0.239 418 V C 2.151 178.223 176.094 -0.037 0.000 1.053 418 V CA 0.497 62.805 62.300 0.014 0.000 1.073 418 V CB -0.367 31.473 31.823 0.029 0.000 0.746 418 V HN 0.266 nan 8.190 nan 0.000 0.476 419 I N -0.137 120.419 120.570 -0.024 0.000 2.567 419 I HA -0.190 3.980 4.170 -0.000 0.000 0.257 419 I C 2.097 178.179 176.117 -0.059 0.000 1.184 419 I CA 2.062 63.312 61.300 -0.084 0.000 1.451 419 I CB -1.528 36.556 38.000 0.139 0.000 1.089 419 I HN 0.360 nan 8.210 nan 0.000 0.441 420 T N 1.172 115.722 114.554 -0.007 0.000 2.867 420 T HA -0.064 4.285 4.350 -0.000 0.000 0.268 420 T C 2.010 176.704 174.700 -0.010 0.000 1.057 420 T CA 1.298 63.401 62.100 0.005 0.000 1.136 420 T CB -0.154 68.727 68.868 0.022 0.000 0.874 420 T HN 0.458 nan 8.240 nan 0.000 0.466 421 L N 0.067 121.283 121.223 -0.011 0.000 2.072 421 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 421 L C 2.736 179.592 176.870 -0.022 0.000 1.079 421 L CA 1.218 56.073 54.840 0.025 0.000 0.752 421 L CB -0.450 41.661 42.059 0.085 0.000 0.906 421 L HN 0.403 nan 8.230 nan 0.000 0.436 422 C N -0.778 118.432 119.300 -0.151 0.000 2.413 422 C HA -0.182 4.277 4.460 -0.000 0.000 0.277 422 C C 2.802 177.654 174.990 -0.230 0.000 1.228 422 C CA 1.181 59.979 59.018 -0.366 0.000 1.731 422 C CB -0.947 26.162 27.740 -1.051 0.000 2.042 422 C HN 0.621 nan 8.230 nan 0.000 0.468 423 V N -0.300 119.540 119.914 -0.124 0.000 2.626 423 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 423 V C 2.294 178.374 176.094 -0.024 0.000 1.067 423 V CA 2.226 64.524 62.300 -0.005 0.000 1.081 423 V CB -0.851 31.006 31.823 0.057 0.000 0.686 423 V HN 0.569 nan 8.190 nan 0.000 0.468 424 E N 0.940 121.122 120.200 -0.030 0.000 2.072 424 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 424 E C 1.231 177.810 176.600 -0.035 0.000 0.985 424 E CA 0.929 57.320 56.400 -0.015 0.000 0.801 424 E CB -0.031 29.672 29.700 0.004 0.000 0.750 424 E HN 0.502 nan 8.360 nan 0.000 0.452 425 K N 1.017 121.370 120.400 -0.078 0.000 2.911 425 K HA 0.106 4.426 4.320 -0.000 0.000 0.239 425 K C -0.075 176.432 176.600 -0.155 0.000 1.090 425 K CA -0.151 56.057 56.287 -0.131 0.000 1.225 425 K CB -0.272 32.081 32.500 -0.244 0.000 1.087 425 K HN 0.167 nan 8.250 nan 0.000 0.464 426 R N -0.990 119.446 120.500 -0.106 0.000 3.758 426 R HA -0.158 4.182 4.340 -0.000 0.000 0.299 426 R C 0.561 176.813 176.300 -0.080 0.000 1.182 426 R CA 0.768 56.804 56.100 -0.107 0.000 0.809 426 R CB -2.156 28.043 30.300 -0.168 0.000 1.249 426 R HN 0.386 nan 8.270 nan 0.000 0.497 427 G N 0.136 108.908 108.800 -0.046 0.000 2.420 427 G HA2 0.500 4.460 3.960 -0.000 0.000 0.284 427 G HA3 0.500 4.460 3.960 -0.000 0.000 0.284 427 G C -0.110 174.924 174.900 0.223 0.000 1.177 427 G CA -0.434 44.707 45.100 0.068 0.000 0.841 427 G HN 0.024 nan 8.290 nan 0.000 0.527 428 V N 1.955 121.968 119.914 0.164 0.000 2.417 428 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 428 V C 0.280 176.190 176.094 -0.307 0.000 1.024 428 V CA -0.783 61.513 62.300 -0.007 0.000 0.861 428 V CB 1.384 33.174 31.823 -0.055 0.000 0.985 428 V HN 0.863 nan 8.190 nan 0.000 0.436 429 Q N 2.149 121.517 119.800 -0.720 0.000 2.313 429 Q HA 0.176 4.515 4.340 -0.000 0.000 0.266 429 Q C 0.596 176.316 176.000 -0.466 0.000 0.989 429 Q CA 0.261 55.392 55.803 -1.120 0.000 0.890 429 Q CB 1.173 29.302 28.738 -1.015 0.000 1.200 429 Q HN 0.855 nan 8.270 nan 0.000 0.396 430 T N 2.886 117.226 114.554 -0.356 0.000 2.990 430 T HA 0.152 4.501 4.350 -0.000 0.000 0.249 430 T C -0.555 174.072 174.700 -0.122 0.000 1.039 430 T CA 0.078 62.068 62.100 -0.182 0.000 1.036 430 T CB 0.202 68.991 68.868 -0.132 0.000 0.994 430 T HN 0.703 nan 8.240 nan 0.000 0.489 431 N N 0.014 118.640 118.700 -0.122 0.000 3.322 431 N HA 0.396 5.136 4.740 -0.000 0.000 0.233 431 N C -2.061 173.426 175.510 -0.038 0.000 1.399 431 N CA -0.553 52.462 53.050 -0.058 0.000 0.894 431 N CB 1.351 39.826 38.487 -0.019 0.000 1.440 431 N HN 0.099 nan 8.380 nan 0.000 0.503 432 M N 2.121 121.714 119.600 -0.011 0.000 2.322 432 M HA 0.558 5.038 4.480 -0.000 0.000 0.285 432 M C -1.952 174.350 176.300 0.004 0.000 1.119 432 M CA -0.599 54.699 55.300 -0.002 0.000 0.953 432 M CB 1.662 34.268 32.600 0.010 0.000 1.701 432 M HN 0.286 nan 8.290 nan 0.000 0.479 433 V N 4.038 123.925 119.914 -0.044 0.000 2.760 433 V HA 0.508 4.628 4.120 -0.000 0.000 0.309 433 V C -1.488 174.456 176.094 -0.251 0.000 1.077 433 V CA -0.695 61.551 62.300 -0.090 0.000 0.910 433 V CB 2.275 34.044 31.823 -0.089 0.000 1.008 433 V HN 0.764 nan 8.190 nan 0.000 0.424 434 Y N 2.066 122.188 120.300 -0.297 0.000 2.352 434 Y HA 0.615 5.165 4.550 -0.000 0.000 0.326 434 Y C 0.219 175.809 175.900 -0.517 0.000 1.166 434 Y CA -0.227 57.717 58.100 -0.261 0.000 1.182 434 Y CB 1.521 39.910 38.460 -0.118 0.000 1.216 434 Y HN 0.669 nan 8.280 nan 0.000 0.474 435 H N 1.381 120.554 119.070 0.171 0.000 2.808 435 H HA 0.385 4.940 4.556 -0.000 0.000 0.268 435 H C 0.729 176.125 175.328 0.114 0.000 1.306 435 H CA -0.061 56.058 56.048 0.117 0.000 1.565 435 H CB 0.897 30.704 29.762 0.076 0.000 1.632 435 H HN 0.857 nan 8.280 nan 0.000 0.525 436 G N 2.867 111.782 108.800 0.192 0.000 4.430 436 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.332 436 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.332 436 G C 0.661 175.650 174.900 0.148 0.000 1.338 436 G CA 0.777 45.960 45.100 0.138 0.000 1.024 436 G HN 0.712 nan 8.290 nan 0.000 0.750 437 N N 0.009 118.795 118.700 0.143 0.000 2.536 437 N HA 0.371 5.111 4.740 -0.000 0.000 0.286 437 N C -0.238 175.345 175.510 0.122 0.000 1.577 437 N CA -0.076 53.055 53.050 0.136 0.000 0.883 437 N CB 1.384 39.922 38.487 0.085 0.000 1.390 437 N HN 0.522 nan 8.380 nan 0.000 0.491 438 Q N 1.587 121.471 119.800 0.141 0.000 2.464 438 Q HA 0.271 4.611 4.340 -0.000 0.000 0.256 438 Q C -1.403 174.646 176.000 0.082 0.000 1.020 438 Q CA -0.412 55.466 55.803 0.125 0.000 0.716 438 Q CB 1.496 30.325 28.738 0.152 0.000 1.230 438 Q HN 0.135 nan 8.270 nan 0.000 0.494 439 V N 2.686 122.570 119.914 -0.050 0.000 2.470 439 V HA 0.424 4.544 4.120 -0.000 0.000 0.276 439 V C 0.378 176.452 176.094 -0.034 0.000 1.040 439 V CA -0.037 62.124 62.300 -0.231 0.000 1.008 439 V CB 0.867 32.490 31.823 -0.334 0.000 0.990 439 V HN 0.814 nan 8.190 nan 0.000 0.477 440 A N 7.079 129.901 122.820 0.005 0.000 2.923 440 A HA 0.514 4.834 4.320 -0.000 0.000 0.306 440 A C -0.097 177.535 177.584 0.081 0.000 1.542 440 A CA -0.305 51.804 52.037 0.120 0.000 1.225 440 A CB -0.389 18.771 19.000 0.266 0.000 1.147 440 A HN 0.825 nan 8.150 nan 0.000 0.542 441 L N 1.356 122.636 121.223 0.096 0.000 2.397 441 L HA 0.406 4.746 4.340 -0.000 0.000 0.271 441 L C 0.787 177.764 176.870 0.178 0.000 1.148 441 L CA 0.132 55.054 54.840 0.137 0.000 0.825 441 L CB 1.509 43.678 42.059 0.184 0.000 1.117 441 L HN 0.577 nan 8.230 nan 0.000 0.456 442 T N 2.788 117.433 114.554 0.153 0.000 3.066 442 T HA 0.376 4.726 4.350 -0.000 0.000 0.318 442 T C -1.168 173.558 174.700 0.043 0.000 0.979 442 T CA -0.350 61.818 62.100 0.114 0.000 1.025 442 T CB 0.167 69.108 68.868 0.122 0.000 1.002 442 T HN 0.318 nan 8.240 nan 0.000 0.453 443 Y N 2.228 122.507 120.300 -0.035 0.000 2.487 443 Y HA 0.528 5.078 4.550 -0.000 0.000 0.337 443 Y C 0.695 176.535 175.900 -0.100 0.000 1.076 443 Y CA -0.806 57.263 58.100 -0.052 0.000 1.115 443 Y CB 1.820 40.262 38.460 -0.031 0.000 1.235 443 Y HN 0.564 nan 8.280 nan 0.000 0.468 444 E N 4.096 124.307 120.200 0.018 0.000 2.055 444 E HA 0.382 4.732 4.350 -0.000 0.000 0.274 444 E C -1.243 175.343 176.600 -0.024 0.000 0.949 444 E CA -0.168 56.207 56.400 -0.042 0.000 0.775 444 E CB 0.757 30.405 29.700 -0.086 0.000 1.097 444 E HN 0.416 nan 8.360 nan 0.000 0.404 445 I N 4.707 125.227 120.570 -0.084 0.000 2.465 445 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 445 I C -2.331 173.677 176.117 -0.181 0.000 1.014 445 I CA -2.838 58.367 61.300 -0.159 0.000 1.093 445 I CB 1.842 39.659 38.000 -0.304 0.000 1.267 445 I HN 0.204 nan 8.210 nan 0.000 0.431 446 P HA -0.029 nan 4.420 nan 0.000 0.261 446 P C 0.509 177.721 177.300 -0.147 0.000 1.173 446 P CA 0.026 63.054 63.100 -0.121 0.000 0.760 446 P CB 0.489 32.139 31.700 -0.083 0.000 0.783 447 M N 5.710 125.235 119.600 -0.124 0.000 2.108 447 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 447 M C 1.821 178.061 176.300 -0.099 0.000 1.066 447 M CA 2.211 57.432 55.300 -0.131 0.000 1.107 447 M CB -1.350 31.212 32.600 -0.064 0.000 1.356 447 M HN 0.379 nan 8.290 nan 0.000 0.406 448 A N -0.945 121.844 122.820 -0.052 0.000 1.986 448 A HA -0.219 4.100 4.320 -0.000 0.000 0.220 448 A C 2.066 179.659 177.584 0.016 0.000 1.171 448 A CA 2.229 54.281 52.037 0.025 0.000 0.640 448 A CB -0.829 18.253 19.000 0.136 0.000 0.811 448 A HN 0.613 nan 8.150 nan 0.000 0.451 449 E N -0.983 119.186 120.200 -0.052 0.000 2.250 449 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 449 E C 1.833 178.352 176.600 -0.136 0.000 0.986 449 E CA 0.716 57.064 56.400 -0.087 0.000 0.849 449 E CB 0.006 29.616 29.700 -0.150 0.000 0.797 449 E HN 0.304 nan 8.360 nan 0.000 0.482 450 V N -0.327 119.466 119.914 -0.201 0.000 2.379 450 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 450 V C 2.074 178.179 176.094 0.018 0.000 1.044 450 V CA 1.263 63.464 62.300 -0.165 0.000 1.036 450 V CB -0.203 31.373 31.823 -0.411 0.000 0.664 450 V HN 0.143 nan 8.190 nan 0.000 0.453 451 V N -0.646 119.257 119.914 -0.018 0.000 2.488 451 V HA -0.001 4.119 4.120 -0.000 0.000 0.246 451 V C 1.114 177.265 176.094 0.095 0.000 1.046 451 V CA 0.493 62.822 62.300 0.047 0.000 1.053 451 V CB -0.360 31.495 31.823 0.053 0.000 0.679 451 V HN 0.281 nan 8.190 nan 0.000 0.458 452 L N 1.677 122.957 121.223 0.095 0.000 2.477 452 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 452 L C 0.383 177.339 176.870 0.143 0.000 1.157 452 L CA 0.407 55.312 54.840 0.109 0.000 0.889 452 L CB -0.349 41.768 42.059 0.097 0.000 1.158 452 L HN 0.287 nan 8.230 nan 0.000 0.473 453 D N 3.328 123.808 120.400 0.132 0.000 2.999 453 D HA -0.233 4.406 4.640 -0.000 0.000 0.276 453 D C 0.655 177.064 176.300 0.182 0.000 1.481 453 D CA 0.621 54.707 54.000 0.143 0.000 1.095 453 D CB 0.071 40.926 40.800 0.092 0.000 1.165 453 D HN 0.475 nan 8.370 nan 0.000 0.599 454 F N 4.323 124.313 119.950 0.065 0.000 2.619 454 F HA 0.098 4.625 4.527 -0.000 0.000 0.281 454 F C 1.456 177.305 175.800 0.081 0.000 1.065 454 F CA -0.307 57.719 58.000 0.042 0.000 1.304 454 F CB -0.396 38.612 39.000 0.012 0.000 1.059 454 F HN 0.175 nan 8.300 nan 0.000 0.648 455 F N 2.202 121.978 119.950 -0.289 0.000 2.154 455 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 455 F C 1.761 177.400 175.800 -0.268 0.000 1.087 455 F CA 2.241 60.039 58.000 -0.336 0.000 1.274 455 F CB -0.717 38.249 39.000 -0.055 0.000 1.009 455 F HN -0.003 nan 8.300 nan 0.000 0.485 456 D N 0.020 120.230 120.400 -0.316 0.000 2.077 456 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 456 D C 2.438 178.553 176.300 -0.308 0.000 0.986 456 D CA 1.442 55.232 54.000 -0.351 0.000 0.829 456 D CB -0.474 40.239 40.800 -0.145 0.000 0.983 456 D HN 0.237 nan 8.370 nan 0.000 0.453 457 R N 0.222 120.599 120.500 -0.206 0.000 2.139 457 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 457 R C 2.430 178.598 176.300 -0.220 0.000 1.145 457 R CA 0.744 56.752 56.100 -0.153 0.000 0.976 457 R CB -0.461 29.811 30.300 -0.046 0.000 0.866 457 R HN 0.247 nan 8.270 nan 0.000 0.449 458 L N 0.808 121.796 121.223 -0.391 0.000 2.072 458 L HA -0.125 4.214 4.340 -0.000 0.000 0.205 458 L C 2.216 178.891 176.870 -0.324 0.000 1.079 458 L CA 1.664 56.266 54.840 -0.397 0.000 0.752 458 L CB -0.141 41.511 42.059 -0.678 0.000 0.906 458 L HN -0.062 nan 8.230 nan 0.000 0.436 459 K N -0.242 119.919 120.400 -0.399 0.000 2.155 459 K HA -0.123 4.196 4.320 -0.000 0.000 0.203 459 K C 2.275 178.721 176.600 -0.256 0.000 1.052 459 K CA 1.270 57.346 56.287 -0.352 0.000 0.948 459 K CB -0.025 32.179 32.500 -0.493 0.000 0.728 459 K HN 0.628 nan 8.250 nan 0.000 0.448 460 S N -1.027 114.538 115.700 -0.224 0.000 2.371 460 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 460 S C 2.083 176.604 174.600 -0.131 0.000 1.029 460 S CA 1.634 59.743 58.200 -0.152 0.000 0.978 460 S CB -0.482 62.647 63.200 -0.118 0.000 0.833 460 S HN 0.259 nan 8.310 nan 0.000 0.466 461 T N 1.693 116.166 114.554 -0.135 0.000 3.035 461 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 461 T C 1.690 176.299 174.700 -0.152 0.000 1.109 461 T CA 1.386 63.431 62.100 -0.092 0.000 1.119 461 T CB -0.572 68.263 68.868 -0.054 0.000 0.900 461 T HN 0.696 nan 8.240 nan 0.000 0.503 462 S N -0.164 115.351 115.700 -0.308 0.000 2.540 462 S HA 0.294 4.764 4.470 -0.000 0.000 0.218 462 S C 0.829 174.915 174.600 -0.857 0.000 0.977 462 S CA -0.315 57.443 58.200 -0.736 0.000 0.918 462 S CB -0.196 62.727 63.200 -0.462 0.000 0.806 462 S HN 0.557 nan 8.310 nan 0.000 0.496 463 R N 0.611 120.898 120.500 -0.356 0.000 3.651 463 R HA -0.146 4.193 4.340 -0.000 0.000 0.292 463 R C 0.710 177.017 176.300 0.011 0.000 1.161 463 R CA 0.442 56.462 56.100 -0.133 0.000 0.787 463 R CB -2.211 28.063 30.300 -0.044 0.000 1.249 463 R HN 1.186 nan 8.270 nan 0.000 0.476 464 G N -1.450 107.304 108.800 -0.076 0.000 2.270 464 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.224 464 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.224 464 G C -0.193 174.582 174.900 -0.208 0.000 1.079 464 G CA 0.104 45.127 45.100 -0.127 0.000 0.807 464 G HN 0.406 nan 8.290 nan 0.000 0.492 465 Y N -1.445 118.725 120.300 -0.217 0.000 2.437 465 Y HA 0.525 5.074 4.550 -0.000 0.000 0.266 465 Y C 1.756 177.599 175.900 -0.095 0.000 1.077 465 Y CA 0.446 58.460 58.100 -0.143 0.000 1.235 465 Y CB 0.823 39.190 38.460 -0.155 0.000 1.303 465 Y HN 0.679 nan 8.280 nan 0.000 0.536 466 A N 1.253 124.075 122.820 0.004 0.000 3.175 466 A HA 0.387 4.707 4.320 -0.000 0.000 0.289 466 A C 0.310 177.918 177.584 0.040 0.000 1.429 466 A CA -0.343 51.705 52.037 0.019 0.000 1.155 466 A CB -1.065 17.920 19.000 -0.024 0.000 1.169 466 A HN 0.229 nan 8.150 nan 0.000 0.574 467 S N 1.177 116.913 115.700 0.060 0.000 2.737 467 S HA 0.149 4.619 4.470 -0.000 0.000 0.315 467 S C 0.070 174.761 174.600 0.152 0.000 1.236 467 S CA -0.116 58.148 58.200 0.106 0.000 1.093 467 S CB 0.113 63.350 63.200 0.062 0.000 0.832 467 S HN 0.619 nan 8.310 nan 0.000 0.507 468 L N 2.627 123.991 121.223 0.235 0.000 2.312 468 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 468 L C -0.378 176.592 176.870 0.167 0.000 1.070 468 L CA -0.359 54.635 54.840 0.257 0.000 0.805 468 L CB 1.365 43.656 42.059 0.387 0.000 1.174 468 L HN 0.899 nan 8.230 nan 0.000 0.434 469 D N 3.025 123.533 120.400 0.180 0.000 2.936 469 D HA 0.411 5.051 4.640 -0.000 0.000 0.238 469 D C -1.646 174.770 176.300 0.193 0.000 1.248 469 D CA -0.242 53.801 54.000 0.071 0.000 0.903 469 D CB 1.207 42.049 40.800 0.071 0.000 1.544 469 D HN 0.335 nan 8.370 nan 0.000 0.543 470 Y N 1.725 122.052 120.300 0.044 0.000 2.524 470 Y HA 0.606 5.156 4.550 -0.000 0.000 0.347 470 Y C -1.092 174.833 175.900 0.042 0.000 1.005 470 Y CA -1.052 57.069 58.100 0.034 0.000 1.025 470 Y CB 1.249 39.731 38.460 0.037 0.000 1.275 470 Y HN 0.332 nan 8.280 nan 0.000 0.460 471 N N 2.228 121.041 118.700 0.188 0.000 2.380 471 N HA 0.364 5.104 4.740 -0.000 0.000 0.290 471 N C -1.622 174.006 175.510 0.197 0.000 1.236 471 N CA -0.749 52.392 53.050 0.152 0.000 0.780 471 N CB 2.500 41.059 38.487 0.120 0.000 1.438 471 N HN 0.721 nan 8.380 nan 0.000 0.491 472 F N 0.842 120.816 119.950 0.041 0.000 2.529 472 F HA 0.169 4.696 4.527 -0.000 0.000 0.365 472 F C 1.142 176.905 175.800 -0.061 0.000 1.102 472 F CA 0.316 58.290 58.000 -0.043 0.000 1.271 472 F CB 1.168 40.108 39.000 -0.100 0.000 1.120 472 F HN 0.744 nan 8.300 nan 0.000 0.579 473 K N 3.470 123.263 120.400 -1.012 0.000 2.354 473 K HA 0.372 4.692 4.320 -0.000 0.000 0.210 473 K C -0.367 175.661 176.600 -0.953 0.000 1.184 473 K CA 0.101 55.967 56.287 -0.702 0.000 0.880 473 K CB 0.376 32.635 32.500 -0.402 0.000 1.328 473 K HN 0.690 nan 8.250 nan 0.000 0.466 474 R N -0.478 119.277 120.500 -1.241 0.000 2.664 474 R HA 0.219 4.559 4.340 -0.000 0.000 0.260 474 R C -1.575 174.419 176.300 -0.510 0.000 1.062 474 R CA -0.554 55.163 56.100 -0.638 0.000 0.902 474 R CB 0.474 30.611 30.300 -0.271 0.000 1.258 474 R HN 0.024 nan 8.270 nan 0.000 0.465 475 F N 1.830 121.810 119.950 0.050 0.000 2.384 475 F HA 0.377 4.904 4.527 -0.000 0.000 0.338 475 F C 0.548 176.389 175.800 0.069 0.000 1.103 475 F CA 0.118 58.200 58.000 0.137 0.000 1.157 475 F CB 1.547 40.693 39.000 0.242 0.000 1.167 475 F HN 0.324 nan 8.300 nan 0.000 0.529 476 Q N 1.714 121.671 119.800 0.262 0.000 2.345 476 Q HA 0.642 4.982 4.340 -0.000 0.000 0.275 476 Q C -1.186 174.908 176.000 0.156 0.000 1.063 476 Q CA -0.995 54.902 55.803 0.157 0.000 0.819 476 Q CB 2.134 30.916 28.738 0.073 0.000 1.356 476 Q HN 0.800 nan 8.270 nan 0.000 0.418 477 A N 2.030 124.921 122.820 0.118 0.000 2.546 477 A HA 0.458 4.777 4.320 -0.000 0.000 0.243 477 A C -0.318 177.320 177.584 0.090 0.000 1.063 477 A CA 0.550 52.643 52.037 0.093 0.000 0.757 477 A CB 0.409 19.443 19.000 0.056 0.000 0.991 477 A HN 0.475 nan 8.150 nan 0.000 0.503 478 S N 0.423 116.185 115.700 0.103 0.000 2.537 478 S HA 0.356 4.825 4.470 -0.000 0.000 0.270 478 S C -1.297 173.376 174.600 0.122 0.000 1.142 478 S CA -0.647 57.634 58.200 0.134 0.000 0.870 478 S CB 1.445 64.749 63.200 0.172 0.000 1.112 478 S HN 0.771 nan 8.310 nan 0.000 0.466 479 D N 2.979 123.465 120.400 0.142 0.000 2.489 479 D HA 0.295 4.935 4.640 -0.000 0.000 0.237 479 D C -0.512 175.768 176.300 -0.033 0.000 1.212 479 D CA 0.221 54.228 54.000 0.012 0.000 1.058 479 D CB -0.248 40.514 40.800 -0.062 0.000 1.098 479 D HN 0.292 nan 8.370 nan 0.000 0.509 480 M N 3.477 123.078 119.600 0.002 0.000 2.294 480 M HA 0.389 4.869 4.480 -0.000 0.000 0.335 480 M C -0.868 175.387 176.300 -0.075 0.000 1.079 480 M CA -1.029 54.267 55.300 -0.008 0.000 0.982 480 M CB 1.781 34.388 32.600 0.012 0.000 1.651 480 M HN 0.123 nan 8.290 nan 0.000 0.437 481 V N 1.626 121.494 119.914 -0.078 0.000 3.046 481 V HA 0.754 4.873 4.120 -0.000 0.000 0.316 481 V C -0.788 175.262 176.094 -0.072 0.000 1.104 481 V CA -1.132 61.122 62.300 -0.077 0.000 1.006 481 V CB 1.979 33.761 31.823 -0.067 0.000 1.058 481 V HN 0.872 nan 8.190 nan 0.000 0.440 482 R N 0.954 121.418 120.500 -0.060 0.000 2.393 482 R HA 0.754 5.094 4.340 -0.000 0.000 0.310 482 R C -1.582 174.706 176.300 -0.020 0.000 0.968 482 R CA -0.482 55.590 56.100 -0.047 0.000 0.867 482 R CB 1.815 32.086 30.300 -0.049 0.000 1.124 482 R HN 0.743 nan 8.270 nan 0.000 0.450 483 V N 4.841 124.752 119.914 -0.005 0.000 2.347 483 V HA 0.225 4.344 4.120 -0.000 0.000 0.280 483 V C -0.443 175.658 176.094 0.011 0.000 1.021 483 V CA -0.712 61.592 62.300 0.007 0.000 0.847 483 V CB 1.424 33.258 31.823 0.017 0.000 0.990 483 V HN 0.806 nan 8.190 nan 0.000 0.444 484 D N 3.473 123.878 120.400 0.008 0.000 2.210 484 D HA 0.446 5.086 4.640 -0.000 0.000 0.249 484 D C -0.479 175.825 176.300 0.007 0.000 1.078 484 D CA -0.067 53.937 54.000 0.006 0.000 0.875 484 D CB 2.625 43.425 40.800 -0.000 0.000 1.175 484 D HN 0.285 nan 8.370 nan 0.000 0.440 485 V N 3.125 123.043 119.914 0.006 0.000 2.459 485 V HA 0.479 4.598 4.120 -0.000 0.000 0.295 485 V C 0.111 176.199 176.094 -0.010 0.000 1.029 485 V CA -0.866 61.434 62.300 0.001 0.000 0.874 485 V CB 1.266 33.092 31.823 0.005 0.000 0.985 485 V HN 0.332 nan 8.190 nan 0.000 0.438 486 L N 4.599 125.814 121.223 -0.013 0.000 2.408 486 L HA 0.892 5.232 4.340 -0.000 0.000 0.268 486 L C -0.662 176.195 176.870 -0.022 0.000 0.986 486 L CA -0.745 54.082 54.840 -0.022 0.000 0.820 486 L CB 1.987 44.032 42.059 -0.023 0.000 1.303 486 L HN 0.709 nan 8.230 nan 0.000 0.411 487 I N 0.017 120.569 120.570 -0.030 0.000 2.498 487 I HA 0.616 4.786 4.170 -0.000 0.000 0.290 487 I C -0.547 175.551 176.117 -0.030 0.000 1.032 487 I CA -0.512 60.772 61.300 -0.027 0.000 1.073 487 I CB 2.022 40.006 38.000 -0.027 0.000 1.251 487 I HN 0.784 nan 8.210 nan 0.000 0.426 488 N N 4.478 123.164 118.700 -0.023 0.000 2.727 488 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 488 N C 1.026 176.515 175.510 -0.036 0.000 1.048 488 N CA 1.599 54.632 53.050 -0.028 0.000 0.714 488 N CB -1.141 37.328 38.487 -0.030 0.000 0.959 488 N HN 1.390 nan 8.380 nan 0.000 0.544 489 G N -1.342 107.439 108.800 -0.032 0.000 2.328 489 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.256 489 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.256 489 G C -0.164 174.714 174.900 -0.036 0.000 1.014 489 G CA 0.624 45.704 45.100 -0.034 0.000 0.620 489 G HN 0.479 nan 8.290 nan 0.000 0.530 490 E N 1.066 121.241 120.200 -0.041 0.000 2.257 490 E HA 0.225 4.575 4.350 -0.000 0.000 0.278 490 E C 0.649 177.223 176.600 -0.044 0.000 1.049 490 E CA -0.517 55.855 56.400 -0.046 0.000 0.876 490 E CB 0.872 30.537 29.700 -0.058 0.000 1.035 490 E HN 0.443 nan 8.360 nan 0.000 0.419 491 R N 3.288 123.765 120.500 -0.038 0.000 2.387 491 R HA 0.090 4.430 4.340 -0.000 0.000 0.321 491 R C -0.661 175.618 176.300 -0.035 0.000 1.174 491 R CA -0.188 55.893 56.100 -0.031 0.000 1.002 491 R CB -0.064 30.221 30.300 -0.025 0.000 1.028 491 R HN 0.171 nan 8.270 nan 0.000 0.482 492 V N 6.099 125.991 119.914 -0.037 0.000 2.356 492 V HA 0.011 4.131 4.120 -0.000 0.000 0.258 492 V C 0.679 176.764 176.094 -0.015 0.000 1.065 492 V CA -0.240 62.033 62.300 -0.046 0.000 0.935 492 V CB 1.003 32.784 31.823 -0.070 0.000 1.061 492 V HN 0.771 nan 8.190 nan 0.000 0.484 493 D N 4.621 125.021 120.400 0.000 0.000 2.117 493 D HA -0.097 4.542 4.640 -0.000 0.000 0.198 493 D C 2.154 178.494 176.300 0.066 0.000 0.982 493 D CA 1.580 55.598 54.000 0.030 0.000 0.828 493 D CB 0.091 40.911 40.800 0.033 0.000 0.967 493 D HN 0.639 nan 8.370 nan 0.000 0.464 494 A N 0.244 123.119 122.820 0.092 0.000 2.131 494 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 494 A C 1.904 179.583 177.584 0.158 0.000 1.158 494 A CA 0.865 53.011 52.037 0.182 0.000 0.665 494 A CB -0.242 18.943 19.000 0.308 0.000 0.795 494 A HN 0.164 nan 8.150 nan 0.000 0.460 495 L N -1.807 119.465 121.223 0.082 0.000 2.664 495 L HA 0.442 4.782 4.340 -0.000 0.000 0.233 495 L C 1.286 178.197 176.870 0.069 0.000 1.113 495 L CA 0.440 55.322 54.840 0.069 0.000 0.896 495 L CB -0.425 41.643 42.059 0.016 0.000 1.163 495 L HN 0.303 nan 8.230 nan 0.000 0.497 496 A N 0.129 122.989 122.820 0.066 0.000 2.366 496 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 496 A C -0.471 177.159 177.584 0.075 0.000 1.084 496 A CA -0.123 51.947 52.037 0.056 0.000 0.794 496 A CB 0.152 19.176 19.000 0.040 0.000 1.034 496 A HN 0.255 nan 8.150 nan 0.000 0.491 497 L N -1.061 120.199 121.223 0.061 0.000 2.409 497 L HA 0.833 5.173 4.340 -0.000 0.000 0.255 497 L C -0.839 176.055 176.870 0.039 0.000 1.027 497 L CA -0.642 54.245 54.840 0.078 0.000 0.834 497 L CB 1.318 43.434 42.059 0.094 0.000 1.426 497 L HN 0.526 nan 8.230 nan 0.000 0.411 498 I N 0.565 121.163 120.570 0.047 0.000 2.433 498 I HA 0.743 4.913 4.170 -0.000 0.000 0.292 498 I C -0.197 175.954 176.117 0.056 0.000 1.001 498 I CA -0.319 60.952 61.300 -0.048 0.000 1.119 498 I CB 1.894 39.690 38.000 -0.341 0.000 1.289 498 I HN 0.824 nan 8.210 nan 0.000 0.438 499 T N 2.778 117.355 114.554 0.038 0.000 2.821 499 T HA 0.294 4.644 4.350 -0.000 0.000 0.306 499 T C -1.252 173.506 174.700 0.096 0.000 1.313 499 T CA -0.558 61.602 62.100 0.100 0.000 1.012 499 T CB 1.234 70.156 68.868 0.090 0.000 1.298 499 T HN 0.633 nan 8.240 nan 0.000 0.502 500 H N 2.134 121.228 119.070 0.041 0.000 2.683 500 H HA 0.441 4.997 4.556 -0.000 0.000 0.339 500 H C 1.684 177.020 175.328 0.014 0.000 1.081 500 H CA 0.105 56.170 56.048 0.028 0.000 1.432 500 H CB 0.754 30.536 29.762 0.033 0.000 1.462 500 H HN 0.524 nan 8.280 nan 0.000 0.557 501 R N 2.608 122.807 120.500 -0.502 0.000 2.133 501 R HA -0.222 4.118 4.340 -0.000 0.000 0.245 501 R C 0.985 177.186 176.300 -0.167 0.000 1.137 501 R CA 2.401 58.314 56.100 -0.311 0.000 0.947 501 R CB -0.256 29.838 30.300 -0.342 0.000 0.865 501 R HN 0.778 nan 8.270 nan 0.000 0.437 502 D N -0.487 119.825 120.400 -0.147 0.000 2.228 502 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 502 D C 0.384 176.716 176.300 0.054 0.000 0.988 502 D CA 1.280 55.299 54.000 0.031 0.000 0.864 502 D CB -0.145 40.756 40.800 0.168 0.000 0.928 502 D HN 0.276 nan 8.370 nan 0.000 0.469 503 N N -1.747 116.995 118.700 0.071 0.000 2.451 503 N HA 0.066 4.806 4.740 -0.000 0.000 0.271 503 N C 0.708 176.244 175.510 0.042 0.000 1.410 503 N CA -0.033 53.050 53.050 0.054 0.000 0.884 503 N CB 0.894 39.421 38.487 0.067 0.000 1.332 503 N HN -0.064 nan 8.380 nan 0.000 0.498 504 S N -0.449 115.261 115.700 0.017 0.000 2.402 504 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 504 S C 1.938 176.545 174.600 0.011 0.000 1.021 504 S CA 0.827 59.033 58.200 0.011 0.000 0.974 504 S CB -0.099 63.089 63.200 -0.020 0.000 0.800 504 S HN 0.330 nan 8.310 nan 0.000 0.484 505 Q N 2.311 122.114 119.800 0.006 0.000 2.084 505 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 505 Q C 1.897 177.907 176.000 0.018 0.000 0.978 505 Q CA 2.147 57.955 55.803 0.009 0.000 0.844 505 Q CB -0.869 27.871 28.738 0.004 0.000 0.898 505 Q HN 0.755 nan 8.270 nan 0.000 0.426 506 N N -1.209 117.505 118.700 0.023 0.000 2.058 506 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 506 N C 1.584 177.114 175.510 0.033 0.000 1.037 506 N CA 1.064 54.131 53.050 0.028 0.000 0.848 506 N CB -0.001 38.506 38.487 0.033 0.000 1.021 506 N HN 0.049 nan 8.380 nan 0.000 0.422 507 R N 0.111 120.634 120.500 0.039 0.000 2.152 507 R HA 0.021 4.360 4.340 -0.000 0.000 0.232 507 R C 1.980 178.304 176.300 0.039 0.000 1.117 507 R CA 1.009 57.136 56.100 0.045 0.000 0.981 507 R CB -0.980 29.353 30.300 0.054 0.000 0.870 507 R HN 0.325 nan 8.270 nan 0.000 0.451 508 G N -0.050 108.769 108.800 0.031 0.000 2.434 508 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.214 508 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.214 508 G C 1.498 176.414 174.900 0.026 0.000 1.202 508 G CA 0.320 45.436 45.100 0.027 0.000 0.788 508 G HN 0.188 nan 8.290 nan 0.000 0.539 509 R N 0.948 121.462 120.500 0.023 0.000 2.105 509 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 509 R C 2.399 178.714 176.300 0.025 0.000 1.135 509 R CA 1.642 57.755 56.100 0.022 0.000 0.967 509 R CB -0.475 29.837 30.300 0.019 0.000 0.861 509 R HN 0.538 nan 8.270 nan 0.000 0.442 510 E N 0.345 120.563 120.200 0.030 0.000 2.077 510 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 510 E C 2.115 178.738 176.600 0.037 0.000 0.989 510 E CA 1.039 57.460 56.400 0.035 0.000 0.800 510 E CB -0.152 29.573 29.700 0.041 0.000 0.746 510 E HN 0.277 nan 8.360 nan 0.000 0.452 511 L N 0.679 121.924 121.223 0.038 0.000 2.056 511 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 511 L C 2.313 179.202 176.870 0.032 0.000 1.078 511 L CA 0.816 55.680 54.840 0.039 0.000 0.749 511 L CB 0.016 42.099 42.059 0.040 0.000 0.901 511 L HN 0.022 nan 8.230 nan 0.000 0.433 512 V N -0.435 119.495 119.914 0.026 0.000 2.515 512 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 512 V C 2.454 178.560 176.094 0.021 0.000 1.058 512 V CA 1.416 63.728 62.300 0.020 0.000 1.064 512 V CB -0.499 31.334 31.823 0.016 0.000 0.675 512 V HN 0.436 nan 8.190 nan 0.000 0.461 513 E N 0.210 120.424 120.200 0.024 0.000 2.107 513 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 513 E C 2.176 178.794 176.600 0.031 0.000 0.982 513 E CA 0.973 57.387 56.400 0.024 0.000 0.809 513 E CB -0.170 29.544 29.700 0.024 0.000 0.756 513 E HN 0.571 nan 8.360 nan 0.000 0.459 514 K N 0.042 120.464 120.400 0.036 0.000 2.057 514 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 514 K C 1.974 178.597 176.600 0.038 0.000 1.050 514 K CA 0.885 57.197 56.287 0.042 0.000 0.935 514 K CB 0.086 32.614 32.500 0.047 0.000 0.715 514 K HN -0.034 nan 8.250 nan 0.000 0.439 515 M N 1.245 120.863 119.600 0.030 0.000 2.175 515 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 515 M C 1.756 178.068 176.300 0.021 0.000 1.063 515 M CA 1.490 56.803 55.300 0.021 0.000 1.119 515 M CB -0.583 32.024 32.600 0.012 0.000 1.377 515 M HN 0.065 nan 8.290 nan 0.000 0.415 516 K N 0.006 120.420 120.400 0.022 0.000 2.209 516 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 516 K C 1.373 177.991 176.600 0.030 0.000 1.048 516 K CA 1.030 57.329 56.287 0.021 0.000 0.940 516 K CB -0.130 32.380 32.500 0.016 0.000 0.729 516 K HN 0.287 nan 8.250 nan 0.000 0.451 517 D N 0.765 121.189 120.400 0.040 0.000 2.149 517 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 517 D C 1.762 178.093 176.300 0.052 0.000 0.972 517 D CA 0.868 54.903 54.000 0.058 0.000 0.835 517 D CB 0.084 40.926 40.800 0.069 0.000 0.966 517 D HN 0.134 nan 8.370 nan 0.000 0.476 518 L N -0.225 121.022 121.223 0.039 0.000 2.446 518 L HA 0.181 4.521 4.340 -0.000 0.000 0.219 518 L C 0.607 177.492 176.870 0.024 0.000 1.116 518 L CA 0.254 55.114 54.840 0.032 0.000 0.844 518 L CB 0.378 42.455 42.059 0.029 0.000 0.970 518 L HN -0.145 nan 8.230 nan 0.000 0.457 519 I N 2.083 122.666 120.570 0.021 0.000 2.371 519 I HA 0.259 4.429 4.170 -0.000 0.000 0.282 519 I C -2.102 174.027 176.117 0.019 0.000 1.031 519 I CA -1.861 59.449 61.300 0.016 0.000 1.180 519 I CB 1.416 39.422 38.000 0.010 0.000 1.336 519 I HN -0.154 nan 8.210 nan 0.000 0.467 520 P HA 0.219 nan 4.420 nan 0.000 0.277 520 P C -0.776 176.530 177.300 0.010 0.000 1.271 520 P CA -0.671 62.441 63.100 0.019 0.000 0.795 520 P CB 0.618 32.330 31.700 0.020 0.000 1.101 521 R N 1.018 121.521 120.500 0.005 0.000 2.421 521 R HA 0.151 4.491 4.340 -0.000 0.000 0.305 521 R C 0.677 176.968 176.300 -0.014 0.000 1.039 521 R CA 0.267 56.365 56.100 -0.003 0.000 1.003 521 R CB 0.119 30.415 30.300 -0.007 0.000 0.959 521 R HN 0.566 nan 8.270 nan 0.000 0.427 522 Q N 0.981 120.769 119.800 -0.021 0.000 3.321 522 Q HA 0.127 4.467 4.340 -0.000 0.000 0.257 522 Q C 1.028 176.961 176.000 -0.111 0.000 1.041 522 Q CA -0.828 54.946 55.803 -0.049 0.000 0.789 522 Q CB 0.540 29.263 28.738 -0.025 0.000 2.366 522 Q HN 0.515 nan 8.270 nan 0.000 0.416 523 Q N -0.253 119.424 119.800 -0.205 0.000 1.990 523 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 523 Q C -0.397 175.260 176.000 -0.572 0.000 0.980 523 Q CA 1.385 56.900 55.803 -0.480 0.000 0.832 523 Q CB 0.216 28.517 28.738 -0.727 0.000 0.897 523 Q HN 0.318 nan 8.270 nan 0.000 0.427 524 F N 0.804 120.751 119.950 -0.005 0.000 2.523 524 F HA 0.276 4.803 4.527 -0.000 0.000 0.329 524 F C -0.028 175.768 175.800 -0.007 0.000 1.061 524 F CA -1.556 56.441 58.000 -0.006 0.000 0.967 524 F CB 0.885 39.880 39.000 -0.008 0.000 1.218 524 F HN -0.098 nan 8.300 nan 0.000 0.480 525 D N 1.660 122.178 120.400 0.196 0.000 2.488 525 D HA 0.192 4.832 4.640 -0.000 0.000 0.238 525 D C -0.373 175.982 176.300 0.091 0.000 1.138 525 D CA 0.859 54.921 54.000 0.102 0.000 0.873 525 D CB 0.556 41.400 40.800 0.073 0.000 1.183 525 D HN 0.256 nan 8.370 nan 0.000 0.458 526 I N 1.398 122.002 120.570 0.056 0.000 2.410 526 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 526 I C -0.236 175.892 176.117 0.020 0.000 1.009 526 I CA -0.805 60.517 61.300 0.038 0.000 1.111 526 I CB 1.791 39.812 38.000 0.035 0.000 1.262 526 I HN 0.290 nan 8.210 nan 0.000 0.443 527 A N 8.258 131.084 122.820 0.010 0.000 2.366 527 A HA 0.686 5.006 4.320 -0.000 0.000 0.322 527 A C -0.333 177.250 177.584 -0.002 0.000 1.397 527 A CA -0.311 51.728 52.037 0.003 0.000 0.984 527 A CB -0.177 18.823 19.000 -0.001 0.000 1.149 527 A HN 0.674 nan 8.150 nan 0.000 0.540 528 I N 2.599 123.169 120.570 0.001 0.000 2.365 528 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 528 I C 0.314 176.431 176.117 0.000 0.000 1.004 528 I CA -0.085 61.214 61.300 -0.001 0.000 1.311 528 I CB 1.417 39.418 38.000 0.002 0.000 1.401 528 I HN 0.854 nan 8.210 nan 0.000 0.491 529 Q N 5.288 125.087 119.800 -0.002 0.000 2.462 529 Q HA 0.895 5.235 4.340 -0.000 0.000 0.285 529 Q C -1.674 174.328 176.000 0.003 0.000 1.035 529 Q CA -1.240 54.564 55.803 0.001 0.000 0.799 529 Q CB 2.363 31.101 28.738 -0.001 0.000 1.452 529 Q HN 0.631 nan 8.270 nan 0.000 0.404 530 A N 0.557 123.382 122.820 0.008 0.000 2.356 530 A HA 0.934 5.254 4.320 -0.000 0.000 0.310 530 A C -1.215 176.377 177.584 0.014 0.000 1.075 530 A CA -0.158 51.886 52.037 0.011 0.000 0.746 530 A CB 1.635 20.644 19.000 0.016 0.000 1.221 530 A HN 0.934 nan 8.150 nan 0.000 0.443 531 A N 1.754 124.582 122.820 0.013 0.000 2.469 531 A HA 0.849 5.168 4.320 -0.000 0.000 0.299 531 A C -0.975 176.621 177.584 0.021 0.000 1.098 531 A CA -0.504 51.545 52.037 0.020 0.000 0.737 531 A CB 0.983 19.988 19.000 0.009 0.000 1.312 531 A HN 0.813 nan 8.150 nan 0.000 0.414 532 I N 2.091 122.683 120.570 0.036 0.000 2.448 532 I HA 0.545 4.714 4.170 -0.000 0.000 0.281 532 I C 0.920 177.070 176.117 0.055 0.000 1.027 532 I CA 0.246 61.564 61.300 0.029 0.000 1.111 532 I CB 1.033 39.042 38.000 0.016 0.000 1.236 532 I HN 1.253 nan 8.210 nan 0.000 0.452 533 G N 4.723 113.543 108.800 0.033 0.000 2.550 533 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.277 533 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.277 533 G C 0.663 175.572 174.900 0.016 0.000 1.190 533 G CA 0.435 45.558 45.100 0.038 0.000 0.971 533 G HN 0.495 nan 8.290 nan 0.000 0.559 534 T N 0.782 115.331 114.554 -0.010 0.000 3.035 534 T HA 0.115 4.465 4.350 -0.000 0.000 0.268 534 T C 0.921 175.489 174.700 -0.219 0.000 1.109 534 T CA 1.906 63.917 62.100 -0.149 0.000 1.119 534 T CB -0.160 68.548 68.868 -0.266 0.000 0.900 534 T HN 0.639 nan 8.240 nan 0.000 0.503 535 H N 0.223 119.284 119.070 -0.014 0.000 2.562 535 H HA 0.434 4.990 4.556 -0.000 0.000 0.314 535 H C -0.046 175.275 175.328 -0.012 0.000 1.079 535 H CA -0.668 55.373 56.048 -0.013 0.000 1.349 535 H CB 0.415 30.168 29.762 -0.014 0.000 1.432 535 H HN 0.187 nan 8.280 nan 0.000 0.479 536 I N 5.158 125.775 120.570 0.079 0.000 2.471 536 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 536 I C 1.227 177.376 176.117 0.053 0.000 1.079 536 I CA 0.303 61.630 61.300 0.045 0.000 1.398 536 I CB 0.633 38.645 38.000 0.020 0.000 1.403 536 I HN 0.728 nan 8.210 nan 0.000 0.530 537 I N 3.141 123.733 120.570 0.037 0.000 4.032 537 I HA 0.546 4.715 4.170 -0.000 0.000 0.313 537 I C 0.697 176.825 176.117 0.019 0.000 1.272 537 I CA 0.024 61.340 61.300 0.027 0.000 1.307 537 I CB 0.482 38.495 38.000 0.021 0.000 1.155 537 I HN 0.470 nan 8.210 nan 0.000 0.431 538 A N 1.410 124.240 122.820 0.018 0.000 2.459 538 A HA 0.818 5.138 4.320 -0.000 0.000 0.296 538 A C -0.919 176.673 177.584 0.012 0.000 1.039 538 A CA -0.551 51.495 52.037 0.015 0.000 0.698 538 A CB 1.655 20.664 19.000 0.016 0.000 1.261 538 A HN 0.266 nan 8.150 nan 0.000 0.405 539 R N 0.947 121.453 120.500 0.010 0.000 2.698 539 R HA 0.777 5.116 4.340 -0.000 0.000 0.275 539 R C -1.634 174.670 176.300 0.007 0.000 1.001 539 R CA -0.246 55.859 56.100 0.007 0.000 0.896 539 R CB 2.272 32.575 30.300 0.006 0.000 1.218 539 R HN 0.776 nan 8.270 nan 0.000 0.462 540 S N 0.581 116.285 115.700 0.006 0.000 2.566 540 S HA 0.265 4.734 4.470 -0.000 0.000 0.273 540 S C -1.508 173.096 174.600 0.006 0.000 1.157 540 S CA -0.372 57.831 58.200 0.006 0.000 0.938 540 S CB 1.820 65.024 63.200 0.007 0.000 1.087 540 S HN 0.546 nan 8.310 nan 0.000 0.474 541 T N 3.300 117.858 114.554 0.007 0.000 2.772 541 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 541 T C -0.614 174.092 174.700 0.010 0.000 0.994 541 T CA -0.424 61.681 62.100 0.009 0.000 0.951 541 T CB 0.373 69.247 68.868 0.009 0.000 0.933 541 T HN 0.373 nan 8.240 nan 0.000 0.447 542 V N 7.772 127.693 119.914 0.013 0.000 2.397 542 V HA 0.225 4.345 4.120 -0.000 0.000 0.262 542 V C 0.742 176.845 176.094 0.015 0.000 1.047 542 V CA -0.601 61.707 62.300 0.012 0.000 1.003 542 V CB -0.064 31.767 31.823 0.014 0.000 1.037 542 V HN 0.747 nan 8.190 nan 0.000 0.480 543 K N 5.163 125.569 120.400 0.009 0.000 2.451 543 K HA 0.069 4.389 4.320 -0.000 0.000 0.280 543 K C 0.568 177.172 176.600 0.006 0.000 1.020 543 K CA 0.105 56.398 56.287 0.009 0.000 1.008 543 K CB 0.510 33.012 32.500 0.003 0.000 0.917 543 K HN 0.919 nan 8.250 nan 0.000 0.478 544 Q N 1.294 121.100 119.800 0.011 0.000 2.432 544 Q HA 0.077 4.417 4.340 -0.000 0.000 0.264 544 Q C -0.333 175.653 176.000 -0.024 0.000 1.035 544 Q CA -0.580 55.219 55.803 -0.007 0.000 0.908 544 Q CB 0.332 29.070 28.738 -0.000 0.000 1.280 544 Q HN 0.175 nan 8.270 nan 0.000 0.455 545 L N 2.256 123.452 121.223 -0.045 0.000 2.461 545 L HA 0.183 4.522 4.340 -0.000 0.000 0.272 545 L C 0.697 177.539 176.870 -0.047 0.000 1.197 545 L CA 0.556 55.369 54.840 -0.045 0.000 0.836 545 L CB 0.468 42.493 42.059 -0.056 0.000 1.105 545 L HN 0.694 nan 8.230 nan 0.000 0.477 546 R N 2.378 122.858 120.500 -0.033 0.000 2.694 546 R HA 0.141 4.481 4.340 -0.000 0.000 0.268 546 R C 0.111 176.388 176.300 -0.039 0.000 1.061 546 R CA -0.443 55.639 56.100 -0.031 0.000 1.133 546 R CB 0.487 30.775 30.300 -0.020 0.000 1.020 546 R HN 0.564 nan 8.270 nan 0.000 0.475 547 K N 2.383 122.759 120.400 -0.039 0.000 2.440 547 K HA -0.102 4.218 4.320 -0.000 0.000 0.270 547 K C -0.148 176.432 176.600 -0.032 0.000 0.980 547 K CA -0.268 55.994 56.287 -0.042 0.000 0.953 547 K CB 0.322 32.801 32.500 -0.035 0.000 0.925 547 K HN 0.643 nan 8.250 nan 0.000 0.497 548 N N -1.993 116.688 118.700 -0.033 0.000 2.951 548 N HA -0.162 4.578 4.740 -0.000 0.000 0.213 548 N C -0.501 174.996 175.510 -0.023 0.000 0.877 548 N CA 1.265 54.301 53.050 -0.024 0.000 1.042 548 N CB -1.414 37.062 38.487 -0.018 0.000 1.005 548 N HN 0.423 nan 8.380 nan 0.000 0.604 549 V N 2.156 122.054 119.914 -0.027 0.000 2.649 549 V HA 0.320 4.439 4.120 -0.000 0.000 0.292 549 V C 1.121 177.199 176.094 -0.025 0.000 1.055 549 V CA -0.454 61.832 62.300 -0.023 0.000 1.023 549 V CB 1.394 33.204 31.823 -0.023 0.000 0.992 549 V HN 0.093 nan 8.190 nan 0.000 0.480 550 L N 3.196 124.409 121.223 -0.018 0.000 2.357 550 L HA 0.619 4.958 4.340 -0.000 0.000 0.273 550 L C 0.680 177.541 176.870 -0.014 0.000 1.080 550 L CA -0.442 54.388 54.840 -0.016 0.000 0.803 550 L CB 1.081 43.135 42.059 -0.009 0.000 1.174 550 L HN 0.759 nan 8.230 nan 0.000 0.443 551 A N 3.255 126.066 122.820 -0.015 0.000 2.409 551 A HA 0.464 4.783 4.320 -0.000 0.000 0.262 551 A C -0.318 177.268 177.584 0.003 0.000 1.113 551 A CA -0.165 51.867 52.037 -0.008 0.000 0.790 551 A CB 0.086 19.080 19.000 -0.011 0.000 1.046 551 A HN 0.763 nan 8.150 nan 0.000 0.496 552 K N 0.766 121.173 120.400 0.012 0.000 2.444 552 K HA 0.685 5.005 4.320 -0.000 0.000 0.252 552 K C -1.478 175.145 176.600 0.039 0.000 0.993 552 K CA -0.605 55.696 56.287 0.023 0.000 0.847 552 K CB 2.261 34.776 32.500 0.025 0.000 1.340 552 K HN 0.602 nan 8.250 nan 0.000 0.446 553 C N 1.243 120.574 119.300 0.051 0.000 2.698 553 C HA 0.314 4.773 4.460 -0.000 0.000 0.309 553 C C -1.105 173.954 174.990 0.116 0.000 1.186 553 C CA -0.916 58.148 59.018 0.075 0.000 1.474 553 C CB 0.564 28.333 27.740 0.049 0.000 2.020 553 C HN 0.819 nan 8.230 nan 0.000 0.474 554 Y N 2.489 122.790 120.300 0.002 0.000 2.402 554 Y HA 0.472 5.022 4.550 -0.000 0.000 0.333 554 Y C 0.811 176.713 175.900 0.003 0.000 1.076 554 Y CA 0.600 58.702 58.100 0.002 0.000 1.299 554 Y CB 0.368 38.830 38.460 0.003 0.000 1.197 554 Y HN 0.895 nan 8.280 nan 0.000 0.517 555 G N 0.000 108.539 108.800 -0.436 0.000 5.446 555 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 555 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 555 G CA 0.000 44.851 45.100 -0.414 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925