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 3c68_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYMKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTMG DATA SEQUENCE GFPGVALLTE EYINFMASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEMTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ MQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA MAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVME DATA SEQUENCE VYNVTQDKTW VAEMYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEMLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYMYSDN HYLAEMATIL GKPEEAKRYR QLAQQLADYI NTcMFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE MLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGMERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYM DATA SEQUENCE LYNDFFRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.668 177.584 0.141 0.000 1.274 2 A CA 0.000 52.177 52.037 0.234 0.000 0.836 2 A CB 0.000 19.105 19.000 0.175 0.000 0.831 3 D N 1.339 121.769 120.400 0.050 0.000 2.350 3 D HA -0.067 4.577 4.640 0.008 0.000 0.216 3 D C 0.689 176.906 176.300 -0.139 0.000 0.968 3 D CA 0.680 54.661 54.000 -0.031 0.000 0.894 3 D CB -0.078 40.706 40.800 -0.027 0.000 0.909 3 D HN 0.470 nan 8.370 nan 0.000 0.520 4 N N 0.025 118.588 118.700 -0.228 0.000 2.461 4 N HA -0.081 4.664 4.740 0.008 0.000 0.188 4 N C -0.293 174.753 175.510 -0.774 0.000 1.134 4 N CA 0.313 53.058 53.050 -0.508 0.000 0.878 4 N CB 0.256 38.348 38.487 -0.660 0.000 0.972 4 N HN 0.291 nan 8.380 nan 0.000 0.456 5 Y N 0.894 121.181 120.300 -0.021 0.000 2.562 5 Y HA 0.338 4.892 4.550 0.007 0.000 0.363 5 Y C -0.066 175.815 175.900 -0.031 0.000 0.991 5 Y CA -0.741 57.350 58.100 -0.015 0.000 1.121 5 Y CB 0.303 38.768 38.460 0.009 0.000 1.159 5 Y HN -0.365 nan 8.280 nan 0.000 0.651 6 K N 1.744 122.143 120.400 -0.002 0.000 2.205 6 K HA 0.191 4.516 4.320 0.008 0.000 0.279 6 K C 0.101 176.724 176.600 0.040 0.000 1.027 6 K CA -0.530 55.742 56.287 -0.025 0.000 0.932 6 K CB 0.505 32.873 32.500 -0.220 0.000 1.032 6 K HN 0.453 nan 8.250 nan 0.000 0.466 7 N N 1.078 119.828 118.700 0.082 0.000 2.714 7 N HA -0.175 4.570 4.740 0.008 0.000 0.252 7 N C 0.712 176.271 175.510 0.082 0.000 1.014 7 N CA 0.374 53.477 53.050 0.088 0.000 0.735 7 N CB -1.505 37.034 38.487 0.087 0.000 0.924 7 N HN 0.325 nan 8.380 nan 0.000 0.540 8 V N -0.541 119.426 119.914 0.089 0.000 2.407 8 V HA -0.095 4.029 4.120 0.008 0.000 0.248 8 V C 1.392 177.537 176.094 0.084 0.000 1.055 8 V CA 1.548 63.905 62.300 0.094 0.000 1.049 8 V CB -0.040 31.838 31.823 0.092 0.000 0.662 8 V HN 0.395 nan 8.190 nan 0.000 0.455 9 I N 0.074 120.696 120.570 0.087 0.000 2.569 9 I HA 0.305 4.480 4.170 0.008 0.000 0.296 9 I C -0.163 176.018 176.117 0.107 0.000 1.028 9 I CA -0.595 60.763 61.300 0.098 0.000 1.082 9 I CB 1.660 39.727 38.000 0.112 0.000 1.264 9 I HN 0.004 nan 8.210 nan 0.000 0.429 10 N N 5.567 124.334 118.700 0.112 0.000 2.406 10 N HA 0.099 4.843 4.740 0.008 0.000 0.265 10 N C 0.126 175.732 175.510 0.159 0.000 1.203 10 N CA 0.363 53.487 53.050 0.124 0.000 0.945 10 N CB 0.509 39.068 38.487 0.120 0.000 1.165 10 N HN 0.521 nan 8.380 nan 0.000 0.485 11 R N 1.305 121.897 120.500 0.154 0.000 2.552 11 R HA 0.078 4.422 4.340 0.008 0.000 0.314 11 R C 0.232 176.630 176.300 0.163 0.000 1.041 11 R CA -0.193 56.016 56.100 0.182 0.000 1.076 11 R CB 0.137 30.538 30.300 0.168 0.000 1.290 11 R HN 0.561 nan 8.270 nan 0.000 0.563 12 T N -1.737 112.902 114.554 0.142 0.000 2.899 12 T HA 0.702 5.057 4.350 0.008 0.000 0.284 12 T C 0.497 175.209 174.700 0.020 0.000 1.004 12 T CA -0.449 61.698 62.100 0.077 0.000 1.043 12 T CB 2.143 71.052 68.868 0.068 0.000 1.013 12 T HN 0.239 nan 8.240 nan 0.000 0.518 13 G N -0.731 107.953 108.800 -0.194 0.000 2.376 13 G HA2 0.589 4.553 3.960 0.008 0.000 0.302 13 G HA3 0.589 4.553 3.960 0.008 0.000 0.302 13 G C -1.213 173.264 174.900 -0.705 0.000 1.586 13 G CA -0.421 44.254 45.100 -0.709 0.000 0.907 13 G HN 1.301 nan 8.290 nan 0.000 0.655 14 A N 2.152 124.488 122.820 -0.808 0.000 3.127 14 A HA 0.780 5.105 4.320 0.008 0.000 0.319 14 A C -2.274 175.025 177.584 -0.475 0.000 1.104 14 A CA -1.203 50.546 52.037 -0.480 0.000 0.802 14 A CB 0.958 19.814 19.000 -0.239 0.000 1.193 14 A HN 0.579 nan 8.150 nan 0.000 0.479 15 P HA 0.071 nan 4.420 nan 0.000 0.266 15 P C -0.385 176.808 177.300 -0.178 0.000 1.195 15 P CA 0.452 63.340 63.100 -0.353 0.000 0.768 15 P CB 1.068 32.228 31.700 -0.900 0.000 0.838 16 Q N 0.921 120.697 119.800 -0.039 0.000 2.189 16 Q HA 0.189 4.534 4.340 0.008 0.000 0.223 16 Q C -0.460 175.230 176.000 -0.517 0.000 0.828 16 Q CA 0.244 55.890 55.803 -0.262 0.000 0.967 16 Q CB 0.437 28.981 28.738 -0.323 0.000 1.139 16 Q HN 0.579 nan 8.270 nan 0.000 0.497 17 Y N -0.910 119.409 120.300 0.033 0.000 2.524 17 Y HA 0.283 4.834 4.550 0.001 0.000 0.347 17 Y C 1.095 177.061 175.900 0.109 0.000 1.005 17 Y CA -0.724 57.403 58.100 0.044 0.000 1.025 17 Y CB 1.539 40.001 38.460 0.003 0.000 1.275 17 Y HN -0.183 nan 8.280 nan 0.000 0.460 18 M N 1.031 120.772 119.600 0.234 0.000 2.117 18 M HA -0.080 4.405 4.480 0.008 0.000 0.262 18 M C -0.184 176.212 176.300 0.161 0.000 1.065 18 M CA 2.015 57.440 55.300 0.207 0.000 1.114 18 M CB 0.076 32.762 32.600 0.143 0.000 1.361 18 M HN 0.542 nan 8.290 nan 0.000 0.408 19 K N 1.447 121.831 120.400 -0.027 0.000 2.356 19 K HA 0.122 4.447 4.320 0.008 0.000 0.243 19 K C -1.146 175.218 176.600 -0.395 0.000 1.072 19 K CA -0.245 55.740 56.287 -0.503 0.000 1.014 19 K CB 0.483 32.397 32.500 -0.976 0.000 1.523 19 K HN 0.006 nan 8.250 nan 0.000 0.455 20 D N 2.742 123.188 120.400 0.076 0.000 2.564 20 D HA 0.057 4.701 4.640 0.008 0.000 0.226 20 D C -0.586 175.828 176.300 0.190 0.000 1.149 20 D CA -0.307 53.791 54.000 0.164 0.000 0.994 20 D CB 0.164 41.202 40.800 0.396 0.000 1.029 20 D HN 0.236 nan 8.370 nan 0.000 0.517 21 Y N 1.179 121.466 120.300 -0.020 0.000 2.298 21 Y HA 0.174 4.729 4.550 0.008 0.000 0.329 21 Y C 1.219 177.057 175.900 -0.103 0.000 1.293 21 Y CA -1.317 56.738 58.100 -0.075 0.000 1.388 21 Y CB 0.414 38.796 38.460 -0.130 0.000 1.309 21 Y HN 0.267 nan 8.280 nan 0.000 0.544 22 D N -0.755 119.686 120.400 0.069 0.000 2.539 22 D HA 0.024 4.668 4.640 0.008 0.000 0.276 22 D C 1.134 177.447 176.300 0.021 0.000 1.206 22 D CA -0.531 53.485 54.000 0.026 0.000 1.081 22 D CB -0.394 40.426 40.800 0.034 0.000 1.142 22 D HN 0.618 nan 8.370 nan 0.000 0.595 23 Y N -0.445 119.824 120.300 -0.051 0.000 2.193 23 Y HA -0.198 4.355 4.550 0.005 0.000 0.285 23 Y C 0.668 176.506 175.900 -0.103 0.000 1.166 23 Y CA 1.872 59.935 58.100 -0.061 0.000 1.181 23 Y CB 0.043 38.476 38.460 -0.046 0.000 0.976 23 Y HN 0.174 nan 8.280 nan 0.000 0.520 24 D N 0.721 120.814 120.400 -0.512 0.000 2.491 24 D HA 0.043 4.688 4.640 0.008 0.000 0.228 24 D C -0.260 175.512 176.300 -0.880 0.000 1.183 24 D CA 0.614 54.175 54.000 -0.733 0.000 0.827 24 D CB -0.187 40.330 40.800 -0.472 0.000 0.989 24 D HN 0.425 nan 8.370 nan 0.000 0.494 25 D N 0.519 120.499 120.400 -0.700 0.000 3.090 25 D HA -0.158 4.487 4.640 0.008 0.000 0.215 25 D C 0.014 175.411 176.300 -1.504 0.000 1.140 25 D CA 0.809 54.200 54.000 -1.016 0.000 0.937 25 D CB -1.291 38.992 40.800 -0.862 0.000 1.108 25 D HN 0.493 nan 8.370 nan 0.000 0.420 26 H N 0.471 119.173 119.070 -0.614 0.000 2.472 26 H HA 0.273 4.834 4.556 0.008 0.000 0.335 26 H C 1.149 176.384 175.328 -0.155 0.000 1.136 26 H CA -0.225 55.566 56.048 -0.430 0.000 1.264 26 H CB 0.801 30.425 29.762 -0.229 0.000 1.486 26 H HN -0.061 nan 8.280 nan 0.000 0.517 27 Q N 2.020 121.904 119.800 0.141 0.000 2.274 27 Q HA -0.029 4.315 4.340 0.008 0.000 0.280 27 Q C 1.213 177.331 176.000 0.197 0.000 1.047 27 Q CA 0.138 56.135 55.803 0.323 0.000 0.907 27 Q CB 0.796 29.714 28.738 0.300 0.000 1.171 27 Q HN 0.688 nan 8.270 nan 0.000 0.381 28 R N 1.080 121.607 120.500 0.046 0.000 2.328 28 R HA 0.122 4.466 4.340 0.008 0.000 0.200 28 R C -0.376 175.693 176.300 -0.385 0.000 0.983 28 R CA 0.391 56.356 56.100 -0.224 0.000 1.062 28 R CB 0.146 30.208 30.300 -0.398 0.000 0.956 28 R HN 0.149 nan 8.270 nan 0.000 0.479 29 F N 0.466 120.583 119.950 0.279 0.000 2.579 29 F HA 0.402 4.932 4.527 0.005 0.000 0.324 29 F C 0.090 176.061 175.800 0.285 0.000 1.058 29 F CA -1.622 56.529 58.000 0.251 0.000 0.944 29 F CB 1.312 40.454 39.000 0.236 0.000 1.245 29 F HN -0.115 nan 8.300 nan 0.000 0.477 30 N N 2.349 121.315 118.700 0.443 0.000 2.898 30 N HA 0.294 5.039 4.740 0.008 0.000 0.245 30 N C -2.930 172.792 175.510 0.354 0.000 1.185 30 N CA -1.331 51.928 53.050 0.348 0.000 0.879 30 N CB 0.972 39.612 38.487 0.256 0.000 1.157 30 N HN 0.122 nan 8.380 nan 0.000 0.503 31 P HA 0.084 nan 4.420 nan 0.000 0.272 31 P C -0.355 177.080 177.300 0.224 0.000 1.223 31 P CA -0.261 62.983 63.100 0.240 0.000 0.784 31 P CB 0.429 32.173 31.700 0.073 0.000 0.923 32 F N 3.648 123.582 119.950 -0.026 0.000 2.424 32 F HA 0.505 5.036 4.527 0.007 0.000 0.356 32 F C -1.221 174.487 175.800 -0.153 0.000 1.110 32 F CA -0.704 57.314 58.000 0.030 0.000 1.161 32 F CB -0.325 38.727 39.000 0.088 0.000 1.115 32 F HN 0.117 nan 8.300 nan 0.000 0.507 33 F N 4.487 124.094 119.950 -0.572 0.000 2.563 33 F HA 0.472 5.003 4.527 0.007 0.000 0.316 33 F C -0.398 174.643 175.800 -1.266 0.000 1.076 33 F CA -0.752 56.654 58.000 -0.990 0.000 0.921 33 F CB 1.934 40.593 39.000 -0.569 0.000 1.209 33 F HN 0.418 nan 8.300 nan 0.000 0.462 34 D N 0.699 120.097 120.400 -1.670 0.000 2.599 34 D HA 0.440 5.085 4.640 0.008 0.000 0.252 34 D C -0.199 175.529 176.300 -0.953 0.000 1.232 34 D CA -0.384 53.056 54.000 -0.933 0.000 0.819 34 D CB 1.675 42.220 40.800 -0.425 0.000 1.401 34 D HN 0.350 nan 8.370 nan 0.000 0.429 35 L N 1.724 122.469 121.223 -0.795 0.000 4.367 35 L HA -0.124 4.221 4.340 0.008 0.000 0.424 35 L C 1.189 177.329 176.870 -1.216 0.000 1.152 35 L CA 2.043 56.364 54.840 -0.865 0.000 0.974 35 L CB -1.535 40.442 42.059 -0.136 0.000 2.012 35 L HN 1.037 nan 8.230 nan 0.000 0.922 36 G N -2.353 105.403 108.800 -1.739 0.000 2.143 36 G HA2 -0.011 3.954 3.960 0.008 0.000 0.248 36 G HA3 -0.011 3.954 3.960 0.008 0.000 0.248 36 G C 0.682 175.274 174.900 -0.514 0.000 0.991 36 G CA 0.623 44.980 45.100 -1.238 0.000 0.689 36 G HN 1.670 nan 8.290 nan 0.000 0.522 37 A N -1.130 121.417 122.820 -0.456 0.000 2.429 37 A HA 0.519 4.843 4.320 0.008 0.000 0.242 37 A C 0.520 178.079 177.584 -0.041 0.000 1.088 37 A CA 0.703 52.702 52.037 -0.062 0.000 0.784 37 A CB 0.305 19.265 19.000 -0.067 0.000 1.038 37 A HN 0.792 nan 8.150 nan 0.000 0.501 38 W N 0.986 122.412 121.300 0.210 0.000 3.015 38 W HA 0.265 4.930 4.660 0.007 0.000 0.429 38 W C 0.544 177.388 176.519 0.542 0.000 0.976 38 W CA 0.317 57.848 57.345 0.311 0.000 2.086 38 W CB 0.059 29.673 29.460 0.257 0.000 1.125 38 W HN 0.800 nan 8.180 nan 0.000 0.721 39 H N -2.052 117.322 119.070 0.506 0.000 3.046 39 H HA 0.791 5.351 4.556 0.007 0.000 0.361 39 H C -0.579 174.690 175.328 -0.098 0.000 1.235 39 H CA -0.921 55.298 56.048 0.285 0.000 1.146 39 H CB 1.359 31.290 29.762 0.282 0.000 1.859 39 H HN -0.057 nan 8.280 nan 0.000 0.548 40 G N 0.777 109.169 108.800 -0.679 0.000 2.680 40 G HA2 0.482 4.446 3.960 0.008 0.000 0.290 40 G HA3 0.482 4.446 3.960 0.008 0.000 0.290 40 G C -1.611 172.822 174.900 -0.777 0.000 1.355 40 G CA -0.665 43.634 45.100 -1.334 0.000 0.903 40 G HN 0.713 nan 8.290 nan 0.000 0.474 41 H N -0.595 118.382 119.070 -0.154 0.000 2.821 41 H HA 0.564 5.124 4.556 0.007 0.000 0.373 41 H C -0.708 174.703 175.328 0.138 0.000 1.165 41 H CA -0.367 55.719 56.048 0.064 0.000 1.154 41 H CB 2.332 32.154 29.762 0.101 0.000 1.765 41 H HN 0.226 nan 8.280 nan 0.000 0.549 42 L N 1.416 122.820 121.223 0.302 0.000 2.304 42 L HA 0.436 4.780 4.340 0.008 0.000 0.268 42 L C -0.087 176.954 176.870 0.285 0.000 1.010 42 L CA -0.970 54.007 54.840 0.229 0.000 0.813 42 L CB 1.736 43.846 42.059 0.084 0.000 1.315 42 L HN 0.200 nan 8.230 nan 0.000 0.445 43 L N 2.359 123.707 121.223 0.208 0.000 2.357 43 L HA 0.419 4.764 4.340 0.008 0.000 0.273 43 L C -2.111 174.784 176.870 0.041 0.000 1.080 43 L CA -1.778 53.179 54.840 0.196 0.000 0.803 43 L CB 1.239 43.385 42.059 0.144 0.000 1.174 43 L HN 0.293 nan 8.230 nan 0.000 0.443 44 P HA 0.003 nan 4.420 nan 0.000 0.271 44 P C -0.838 176.426 177.300 -0.060 0.000 1.216 44 P CA -0.145 62.896 63.100 -0.098 0.000 0.776 44 P CB 0.804 32.400 31.700 -0.172 0.000 0.881 45 D N 1.283 121.644 120.400 -0.064 0.000 2.363 45 D HA 0.242 4.886 4.640 0.008 0.000 0.214 45 D C 0.796 177.079 176.300 -0.029 0.000 1.093 45 D CA -0.318 53.660 54.000 -0.036 0.000 0.837 45 D CB 0.347 41.122 40.800 -0.041 0.000 0.948 45 D HN 0.550 nan 8.370 nan 0.000 0.507 46 G N 0.174 108.948 108.800 -0.044 0.000 2.344 46 G HA2 0.117 4.081 3.960 0.008 0.000 0.282 46 G HA3 0.117 4.081 3.960 0.008 0.000 0.282 46 G C -2.442 172.431 174.900 -0.045 0.000 1.281 46 G CA -0.520 44.559 45.100 -0.035 0.000 0.877 46 G HN -0.210 nan 8.290 nan 0.000 0.494 47 P HA -0.059 nan 4.420 nan 0.000 0.216 47 P C 1.411 178.684 177.300 -0.045 0.000 1.150 47 P CA 1.578 64.655 63.100 -0.038 0.000 0.843 47 P CB -0.051 31.629 31.700 -0.033 0.000 0.787 48 N N -1.739 116.934 118.700 -0.046 0.000 2.396 48 N HA -0.066 4.679 4.740 0.008 0.000 0.180 48 N C 1.064 176.538 175.510 -0.059 0.000 1.028 48 N CA 1.442 54.463 53.050 -0.049 0.000 0.893 48 N CB -0.115 38.345 38.487 -0.045 0.000 0.967 48 N HN 0.307 nan 8.380 nan 0.000 0.440 49 T N -2.487 112.024 114.554 -0.071 0.000 3.003 49 T HA 0.178 4.532 4.350 0.008 0.000 0.261 49 T C 0.621 175.253 174.700 -0.114 0.000 1.003 49 T CA -0.430 61.618 62.100 -0.087 0.000 0.917 49 T CB 0.105 68.915 68.868 -0.097 0.000 1.084 49 T HN 0.025 nan 8.240 nan 0.000 0.522 50 M N 2.249 121.785 119.600 -0.107 0.000 2.261 50 M HA 0.353 4.837 4.480 0.008 0.000 0.350 50 M C 1.260 177.470 176.300 -0.149 0.000 1.343 50 M CA 2.091 57.310 55.300 -0.135 0.000 1.003 50 M CB -0.197 32.352 32.600 -0.086 0.000 1.848 50 M HN 0.575 nan 8.290 nan 0.000 0.456 51 G N 2.641 111.304 108.800 -0.229 0.000 2.201 51 G HA2 -0.096 3.868 3.960 0.008 0.000 0.212 51 G HA3 -0.096 3.868 3.960 0.008 0.000 0.212 51 G C -0.065 174.724 174.900 -0.186 0.000 0.994 51 G CA -0.238 44.738 45.100 -0.207 0.000 0.644 51 G HN 1.331 nan 8.290 nan 0.000 0.508 52 G N -1.145 107.496 108.800 -0.266 0.000 2.682 52 G HA2 0.641 4.606 3.960 0.008 0.000 0.290 52 G HA3 0.641 4.606 3.960 0.008 0.000 0.290 52 G C -1.384 173.261 174.900 -0.425 0.000 1.425 52 G CA -0.930 44.044 45.100 -0.210 0.000 0.807 52 G HN 0.443 nan 8.290 nan 0.000 0.482 53 F N 2.454 122.435 119.950 0.052 0.000 2.311 53 F HA 0.388 4.919 4.527 0.007 0.000 0.371 53 F C -1.524 174.313 175.800 0.063 0.000 1.083 53 F CA -1.828 56.197 58.000 0.040 0.000 1.113 53 F CB 1.857 40.874 39.000 0.027 0.000 1.349 53 F HN 0.140 nan 8.300 nan 0.000 0.470 54 P HA 0.195 nan 4.420 nan 0.000 0.274 54 P C 0.339 177.665 177.300 0.043 0.000 1.260 54 P CA -0.041 63.087 63.100 0.048 0.000 0.793 54 P CB 0.920 32.583 31.700 -0.062 0.000 1.048 55 G N -0.835 107.940 108.800 -0.042 0.000 2.353 55 G HA2 -0.164 3.800 3.960 0.008 0.000 0.294 55 G HA3 -0.164 3.800 3.960 0.008 0.000 0.294 55 G C -0.082 174.933 174.900 0.192 0.000 1.077 55 G CA -0.277 44.786 45.100 -0.063 0.000 1.098 55 G HN 0.462 nan 8.290 nan 0.000 0.511 56 V N 0.409 120.379 119.914 0.095 0.000 2.458 56 V HA 0.382 4.507 4.120 0.008 0.000 0.287 56 V C 1.115 177.230 176.094 0.036 0.000 1.009 56 V CA 0.781 63.056 62.300 -0.042 0.000 1.091 56 V CB 0.682 32.283 31.823 -0.370 0.000 0.960 56 V HN 1.373 nan 8.190 nan 0.000 0.476 57 A N 7.549 130.358 122.820 -0.018 0.000 2.260 57 A HA 0.751 5.076 4.320 0.008 0.000 0.314 57 A C -0.536 176.994 177.584 -0.089 0.000 1.257 57 A CA -0.558 51.419 52.037 -0.100 0.000 0.871 57 A CB 0.387 19.322 19.000 -0.108 0.000 1.166 57 A HN 0.798 nan 8.150 nan 0.000 0.522 58 L N 3.131 124.249 121.223 -0.174 0.000 2.295 58 L HA 0.398 4.743 4.340 0.008 0.000 0.285 58 L C -0.481 176.379 176.870 -0.017 0.000 1.035 58 L CA -0.430 54.277 54.840 -0.221 0.000 0.806 58 L CB 1.471 43.195 42.059 -0.557 0.000 1.214 58 L HN 0.576 nan 8.230 nan 0.000 0.426 59 L N 3.344 124.701 121.223 0.222 0.000 2.288 59 L HA 0.206 4.550 4.340 0.008 0.000 0.283 59 L C 0.522 177.597 176.870 0.341 0.000 1.072 59 L CA -0.381 54.605 54.840 0.243 0.000 0.862 59 L CB 0.642 42.824 42.059 0.205 0.000 1.245 59 L HN 0.656 nan 8.230 nan 0.000 0.432 60 T N -1.006 113.624 114.554 0.127 0.000 3.781 60 T HA 0.228 4.583 4.350 0.008 0.000 0.286 60 T C 0.713 175.357 174.700 -0.094 0.000 1.277 60 T CA -0.430 61.672 62.100 0.003 0.000 1.136 60 T CB 0.112 68.927 68.868 -0.089 0.000 1.202 60 T HN 0.754 nan 8.240 nan 0.000 0.884 61 E N 1.251 121.328 120.200 -0.205 0.000 4.807 61 E HA -0.328 4.026 4.350 0.008 0.000 0.171 61 E C 0.834 177.471 176.600 0.063 0.000 1.266 61 E CA 2.254 58.414 56.400 -0.400 0.000 2.327 61 E CB -1.070 28.135 29.700 -0.825 0.000 1.829 61 E HN 0.815 nan 8.360 nan 0.000 0.414 62 E N -1.343 118.785 120.200 -0.121 0.000 2.676 62 E HA 0.212 4.567 4.350 0.008 0.000 0.225 62 E C -0.885 175.263 176.600 -0.753 0.000 0.944 62 E CA -0.051 56.136 56.400 -0.355 0.000 1.156 62 E CB 0.878 30.296 29.700 -0.471 0.000 1.117 62 E HN 0.171 nan 8.360 nan 0.000 0.523 63 Y N -0.111 120.208 120.300 0.031 0.000 2.588 63 Y HA 0.435 4.990 4.550 0.009 0.000 0.343 63 Y C -0.625 175.242 175.900 -0.055 0.000 1.065 63 Y CA -1.184 56.899 58.100 -0.027 0.000 1.038 63 Y CB 1.463 39.886 38.460 -0.061 0.000 1.297 63 Y HN -0.104 nan 8.280 nan 0.000 0.467 64 I N 2.925 123.544 120.570 0.082 0.000 2.336 64 I HA 0.463 4.638 4.170 0.008 0.000 0.292 64 I C -1.338 174.730 176.117 -0.080 0.000 0.991 64 I CA -0.305 60.975 61.300 -0.033 0.000 1.227 64 I CB 0.299 38.251 38.000 -0.081 0.000 1.366 64 I HN 0.620 nan 8.210 nan 0.000 0.466 65 N N 6.846 125.455 118.700 -0.152 0.000 2.310 65 N HA 0.359 5.103 4.740 0.008 0.000 0.292 65 N C -1.330 174.057 175.510 -0.204 0.000 1.049 65 N CA -0.353 52.605 53.050 -0.153 0.000 0.849 65 N CB 1.864 40.290 38.487 -0.103 0.000 1.532 65 N HN 0.345 nan 8.380 nan 0.000 0.479 66 F N 1.568 121.536 119.950 0.029 0.000 2.443 66 F HA 0.229 4.761 4.527 0.008 0.000 0.353 66 F C 1.909 177.679 175.800 -0.050 0.000 1.101 66 F CA -0.220 57.780 58.000 -0.001 0.000 1.226 66 F CB 1.034 40.066 39.000 0.054 0.000 1.140 66 F HN 0.453 nan 8.300 nan 0.000 0.557 67 M N 2.244 121.887 119.600 0.071 0.000 2.552 67 M HA 0.426 4.910 4.480 0.008 0.000 0.264 67 M C -0.000 176.264 176.300 -0.060 0.000 1.159 67 M CA 0.814 56.075 55.300 -0.066 0.000 1.176 67 M CB 0.417 32.835 32.600 -0.303 0.000 1.327 67 M HN 0.627 nan 8.290 nan 0.000 0.481 68 A N -1.330 121.460 122.820 -0.051 0.000 2.586 68 A HA 0.517 4.842 4.320 0.008 0.000 0.290 68 A C -0.135 177.440 177.584 -0.015 0.000 1.086 68 A CA -0.363 51.663 52.037 -0.017 0.000 0.665 68 A CB 0.852 19.855 19.000 0.004 0.000 1.279 68 A HN 0.153 nan 8.150 nan 0.000 0.423 69 S N -0.231 115.459 115.700 -0.017 0.000 2.339 69 S HA 0.163 4.638 4.470 0.008 0.000 0.189 69 S C 0.655 175.259 174.600 0.007 0.000 0.966 69 S CA 0.428 58.585 58.200 -0.073 0.000 0.925 69 S CB -0.388 62.752 63.200 -0.101 0.000 0.890 69 S HN 0.726 nan 8.310 nan 0.000 0.539 70 N N 0.227 118.942 118.700 0.025 0.000 2.458 70 N HA 0.384 5.128 4.740 0.008 0.000 0.270 70 N C -1.538 174.083 175.510 0.185 0.000 1.102 70 N CA 0.085 53.168 53.050 0.054 0.000 0.967 70 N CB 0.602 39.081 38.487 -0.014 0.000 1.078 70 N HN 0.262 nan 8.380 nan 0.000 0.471 71 F N 2.075 122.051 119.950 0.043 0.000 2.915 71 F HA 0.148 4.679 4.527 0.007 0.000 0.350 71 F C -0.647 175.294 175.800 0.235 0.000 1.248 71 F CA -0.598 57.490 58.000 0.147 0.000 1.084 71 F CB 0.894 39.969 39.000 0.124 0.000 1.391 71 F HN 0.480 nan 8.300 nan 0.000 0.548 72 D N 2.876 123.316 120.400 0.066 0.000 2.873 72 D HA -0.225 4.420 4.640 0.008 0.000 0.228 72 D C -0.154 176.361 176.300 0.358 0.000 1.122 72 D CA 0.671 54.862 54.000 0.319 0.000 0.758 72 D CB -0.398 40.620 40.800 0.364 0.000 1.094 72 D HN 0.694 nan 8.370 nan 0.000 0.434 73 R N 0.619 121.235 120.500 0.193 0.000 2.298 73 R HA 0.420 4.765 4.340 0.008 0.000 0.310 73 R C -0.338 176.046 176.300 0.141 0.000 1.068 73 R CA -0.593 55.584 56.100 0.127 0.000 0.957 73 R CB 0.496 30.802 30.300 0.011 0.000 1.003 73 R HN 0.258 nan 8.270 nan 0.000 0.454 74 L N 4.359 125.633 121.223 0.085 0.000 2.312 74 L HA 0.392 4.736 4.340 0.008 0.000 0.281 74 L C -0.714 176.081 176.870 -0.126 0.000 1.070 74 L CA 0.307 55.056 54.840 -0.151 0.000 0.805 74 L CB 1.688 43.656 42.059 -0.151 0.000 1.174 74 L HN 0.828 nan 8.230 nan 0.000 0.434 75 T N 2.101 116.577 114.554 -0.129 0.000 2.893 75 T HA 0.754 5.109 4.350 0.008 0.000 0.293 75 T C -0.749 173.953 174.700 0.004 0.000 1.027 75 T CA -0.787 61.305 62.100 -0.013 0.000 0.988 75 T CB 1.477 70.401 68.868 0.093 0.000 1.043 75 T HN 0.386 nan 8.240 nan 0.000 0.461 76 V N 2.033 121.919 119.914 -0.047 0.000 2.513 76 V HA 0.684 4.809 4.120 0.008 0.000 0.299 76 V C -1.168 174.779 176.094 -0.244 0.000 1.035 76 V CA -0.843 61.452 62.300 -0.009 0.000 0.889 76 V CB 1.332 33.226 31.823 0.119 0.000 0.988 76 V HN 0.960 nan 8.190 nan 0.000 0.440 77 W N 2.554 123.795 121.300 -0.098 0.000 2.844 77 W HA 0.758 5.422 4.660 0.006 0.000 0.340 77 W C -0.529 175.949 176.519 -0.068 0.000 1.093 77 W CA -0.761 56.531 57.345 -0.089 0.000 1.212 77 W CB 1.763 31.177 29.460 -0.076 0.000 1.422 77 W HN 0.554 nan 8.180 nan 0.000 0.515 78 Q N 0.362 120.243 119.800 0.134 0.000 2.274 78 Q HA 0.461 4.805 4.340 0.008 0.000 0.268 78 Q C -0.479 175.571 176.000 0.082 0.000 1.015 78 Q CA -0.771 55.077 55.803 0.075 0.000 0.775 78 Q CB 1.907 30.645 28.738 -0.000 0.000 1.256 78 Q HN 0.557 nan 8.270 nan 0.000 0.442 79 D N 2.422 122.872 120.400 0.084 0.000 2.983 79 D HA -0.223 4.422 4.640 0.008 0.000 0.225 79 D C 0.811 177.159 176.300 0.080 0.000 1.174 79 D CA 2.653 56.692 54.000 0.064 0.000 0.831 79 D CB -1.052 39.771 40.800 0.037 0.000 1.104 79 D HN 1.533 nan 8.370 nan 0.000 0.421 80 G N -0.735 108.146 108.800 0.136 0.000 2.175 80 G HA2 -0.339 3.626 3.960 0.008 0.000 0.244 80 G HA3 -0.339 3.626 3.960 0.008 0.000 0.244 80 G C 0.228 175.311 174.900 0.305 0.000 0.982 80 G CA 0.420 45.622 45.100 0.171 0.000 0.641 80 G HN 0.661 nan 8.290 nan 0.000 0.527 81 K N 0.678 121.217 120.400 0.232 0.000 2.244 81 K HA 0.536 4.860 4.320 0.008 0.000 0.260 81 K C 0.214 176.747 176.600 -0.112 0.000 0.951 81 K CA -0.860 55.489 56.287 0.103 0.000 0.826 81 K CB 0.926 33.419 32.500 -0.012 0.000 1.108 81 K HN 0.117 nan 8.250 nan 0.000 0.433 82 K N 3.050 123.113 120.400 -0.561 0.000 2.350 82 K HA 0.105 4.429 4.320 0.008 0.000 0.279 82 K C -0.688 175.496 176.600 -0.693 0.000 1.027 82 K CA -0.489 55.088 56.287 -1.183 0.000 0.969 82 K CB 0.835 32.360 32.500 -1.625 0.000 0.954 82 K HN 0.315 nan 8.250 nan 0.000 0.474 83 V N 3.923 123.412 119.914 -0.708 0.000 2.555 83 V HA -0.014 4.111 4.120 0.008 0.000 0.286 83 V C -0.005 175.583 176.094 -0.843 0.000 1.044 83 V CA -0.270 61.596 62.300 -0.722 0.000 1.026 83 V CB 1.133 32.440 31.823 -0.859 0.000 0.981 83 V HN 0.824 nan 8.190 nan 0.000 0.480 84 D N 3.932 123.944 120.400 -0.647 0.000 2.313 84 D HA 0.433 5.077 4.640 0.008 0.000 0.239 84 D C -0.767 175.255 176.300 -0.462 0.000 1.142 84 D CA -0.086 53.638 54.000 -0.459 0.000 0.847 84 D CB 0.376 41.011 40.800 -0.274 0.000 1.082 84 D HN 0.221 nan 8.370 nan 0.000 0.480 85 F N 1.393 121.263 119.950 -0.133 0.000 2.483 85 F HA 0.466 4.997 4.527 0.007 0.000 0.329 85 F C 0.921 176.669 175.800 -0.088 0.000 1.064 85 F CA -0.842 57.094 58.000 -0.107 0.000 0.986 85 F CB 1.810 40.741 39.000 -0.115 0.000 1.218 85 F HN 0.171 nan 8.300 nan 0.000 0.484 86 T N 0.406 115.055 114.554 0.159 0.000 2.888 86 T HA 0.705 5.059 4.350 0.008 0.000 0.284 86 T C -1.095 173.629 174.700 0.039 0.000 1.017 86 T CA -0.766 61.372 62.100 0.063 0.000 1.022 86 T CB 1.776 70.666 68.868 0.036 0.000 1.013 86 T HN 0.529 nan 8.240 nan 0.000 0.465 87 L N 0.945 122.171 121.223 0.005 0.000 2.334 87 L HA 0.712 5.057 4.340 0.008 0.000 0.276 87 L C -0.434 176.429 176.870 -0.010 0.000 1.014 87 L CA -0.523 54.300 54.840 -0.028 0.000 0.815 87 L CB 1.649 43.679 42.059 -0.049 0.000 1.268 87 L HN 0.957 nan 8.230 nan 0.000 0.428 88 E N 4.001 124.192 120.200 -0.015 0.000 2.244 88 E HA 0.742 5.096 4.350 0.008 0.000 0.260 88 E C -1.886 174.722 176.600 0.013 0.000 0.884 88 E CA -0.757 55.666 56.400 0.039 0.000 0.777 88 E CB 1.595 31.343 29.700 0.079 0.000 1.197 88 E HN 0.867 nan 8.360 nan 0.000 0.416 89 A N 4.034 126.883 122.820 0.048 0.000 2.393 89 A HA 0.744 5.068 4.320 0.008 0.000 0.306 89 A C -1.754 175.901 177.584 0.118 0.000 1.050 89 A CA -0.630 51.399 52.037 -0.012 0.000 0.724 89 A CB 0.745 19.729 19.000 -0.028 0.000 1.248 89 A HN 0.645 nan 8.150 nan 0.000 0.424 90 Y N -0.550 119.774 120.300 0.040 0.000 2.641 90 Y HA 0.742 5.297 4.550 0.007 0.000 0.333 90 Y C -0.289 175.609 175.900 -0.003 0.000 1.174 90 Y CA -0.745 57.367 58.100 0.020 0.000 1.057 90 Y CB 0.626 39.088 38.460 0.004 0.000 1.322 90 Y HN 0.937 nan 8.280 nan 0.000 0.457 91 S N 2.821 118.643 115.700 0.204 0.000 2.638 91 S HA 0.924 5.399 4.470 0.008 0.000 0.298 91 S C -0.568 174.086 174.600 0.090 0.000 1.111 91 S CA -0.438 57.777 58.200 0.025 0.000 1.027 91 S CB 1.534 64.706 63.200 -0.047 0.000 1.064 91 S HN 1.165 nan 8.310 nan 0.000 0.525 92 I N -3.114 117.411 120.570 -0.075 0.000 3.074 92 I HA 0.631 4.806 4.170 0.008 0.000 0.310 92 I C -3.260 172.699 176.117 -0.264 0.000 1.153 92 I CA -3.412 57.858 61.300 -0.051 0.000 0.993 92 I CB 1.805 39.820 38.000 0.024 0.000 1.237 92 I HN 0.281 nan 8.210 nan 0.000 0.443 93 P HA 0.183 nan 4.420 nan 0.000 0.265 93 P C 0.662 177.305 177.300 -1.094 0.000 1.222 93 P CA 1.067 63.885 63.100 -0.469 0.000 0.767 93 P CB 0.498 32.223 31.700 0.042 0.000 0.801 94 G N 2.185 109.896 108.800 -1.815 0.000 2.175 94 G HA2 0.024 3.988 3.960 0.008 0.000 0.244 94 G HA3 0.024 3.988 3.960 0.008 0.000 0.244 94 G C 0.125 174.618 174.900 -0.677 0.000 0.982 94 G CA -0.067 43.988 45.100 -1.742 0.000 0.641 94 G HN 0.896 nan 8.290 nan 0.000 0.527 95 A N -0.909 121.366 122.820 -0.909 0.000 2.608 95 A HA 0.783 5.107 4.320 0.008 0.000 0.292 95 A C -1.116 176.057 177.584 -0.685 0.000 1.066 95 A CA -0.532 51.118 52.037 -0.646 0.000 0.676 95 A CB 0.986 19.833 19.000 -0.255 0.000 1.277 95 A HN 0.870 nan 8.150 nan 0.000 0.413 96 L N 0.972 121.894 121.223 -0.500 0.000 2.346 96 L HA 0.783 5.127 4.340 0.008 0.000 0.276 96 L C -0.957 175.755 176.870 -0.264 0.000 1.006 96 L CA -1.033 53.587 54.840 -0.367 0.000 0.817 96 L CB 1.892 43.705 42.059 -0.410 0.000 1.272 96 L HN 0.514 nan 8.230 nan 0.000 0.421 97 V N 2.284 122.066 119.914 -0.220 0.000 2.841 97 V HA 0.507 4.632 4.120 0.008 0.000 0.310 97 V C -0.911 175.025 176.094 -0.264 0.000 1.090 97 V CA -0.609 61.520 62.300 -0.285 0.000 0.930 97 V CB 2.190 33.581 31.823 -0.721 0.000 1.014 97 V HN 0.889 nan 8.190 nan 0.000 0.425 98 Q N 2.476 122.200 119.800 -0.127 0.000 2.309 98 Q HA 0.709 5.054 4.340 0.008 0.000 0.273 98 Q C -1.811 174.087 176.000 -0.170 0.000 1.040 98 Q CA -1.092 54.598 55.803 -0.189 0.000 0.834 98 Q CB 2.926 31.504 28.738 -0.267 0.000 1.345 98 Q HN 0.624 nan 8.270 nan 0.000 0.414 99 K N 2.874 123.186 120.400 -0.148 0.000 2.376 99 K HA 0.541 4.865 4.320 0.008 0.000 0.257 99 K C -1.078 175.424 176.600 -0.162 0.000 0.939 99 K CA -0.573 55.638 56.287 -0.126 0.000 0.809 99 K CB 1.908 34.381 32.500 -0.046 0.000 1.121 99 K HN 0.530 nan 8.250 nan 0.000 0.425 100 L N 2.715 123.779 121.223 -0.266 0.000 2.305 100 L HA 0.406 4.750 4.340 0.008 0.000 0.284 100 L C -0.409 176.343 176.870 -0.198 0.000 1.013 100 L CA -0.653 53.952 54.840 -0.391 0.000 0.819 100 L CB 1.720 43.173 42.059 -1.009 0.000 1.227 100 L HN 0.587 nan 8.230 nan 0.000 0.417 101 T N 2.418 117.007 114.554 0.057 0.000 2.797 101 T HA 0.794 5.148 4.350 0.008 0.000 0.279 101 T C -0.208 174.660 174.700 0.280 0.000 0.991 101 T CA -0.496 61.696 62.100 0.153 0.000 0.979 101 T CB 2.018 70.927 68.868 0.068 0.000 0.943 101 T HN 0.711 nan 8.240 nan 0.000 0.444 102 A N 2.262 125.224 122.820 0.237 0.000 2.593 102 A HA 0.755 5.080 4.320 0.008 0.000 0.290 102 A C 0.987 178.585 177.584 0.024 0.000 1.126 102 A CA -0.764 51.312 52.037 0.065 0.000 0.695 102 A CB 1.352 20.273 19.000 -0.132 0.000 1.290 102 A HN 0.650 nan 8.150 nan 0.000 0.414 103 K N 0.319 120.700 120.400 -0.033 0.000 1.987 103 K HA -0.168 4.156 4.320 0.008 0.000 0.216 103 K C 0.749 177.342 176.600 -0.013 0.000 1.051 103 K CA 2.930 59.202 56.287 -0.025 0.000 0.942 103 K CB -0.127 32.346 32.500 -0.046 0.000 0.722 103 K HN 0.674 nan 8.250 nan 0.000 0.444 104 D N -0.775 119.609 120.400 -0.027 0.000 2.327 104 D HA 0.060 4.704 4.640 0.008 0.000 0.205 104 D C -0.198 176.109 176.300 0.012 0.000 0.989 104 D CA 0.271 54.263 54.000 -0.013 0.000 0.873 104 D CB 0.659 41.442 40.800 -0.029 0.000 0.955 104 D HN 0.020 nan 8.370 nan 0.000 0.515 105 V N 1.096 121.033 119.914 0.039 0.000 2.656 105 V HA 0.372 4.497 4.120 0.008 0.000 0.307 105 V C -0.697 175.542 176.094 0.241 0.000 1.051 105 V CA -0.748 61.624 62.300 0.120 0.000 0.893 105 V CB 2.169 34.077 31.823 0.143 0.000 0.999 105 V HN -0.151 nan 8.190 nan 0.000 0.426 106 Q N 2.140 122.023 119.800 0.139 0.000 2.389 106 Q HA 0.820 5.164 4.340 0.008 0.000 0.277 106 Q C -1.390 174.571 176.000 -0.064 0.000 1.082 106 Q CA -0.561 55.277 55.803 0.058 0.000 0.810 106 Q CB 2.871 31.625 28.738 0.026 0.000 1.374 106 Q HN 0.545 nan 8.270 nan 0.000 0.422 107 V N 0.706 120.493 119.914 -0.212 0.000 2.709 107 V HA 0.535 4.660 4.120 0.008 0.000 0.308 107 V C -1.034 174.952 176.094 -0.180 0.000 1.062 107 V CA -0.766 61.400 62.300 -0.223 0.000 0.901 107 V CB 2.044 33.642 31.823 -0.375 0.000 1.003 107 V HN 0.769 nan 8.190 nan 0.000 0.425 108 E N 4.264 124.397 120.200 -0.111 0.000 2.216 108 E HA 0.626 4.981 4.350 0.008 0.000 0.260 108 E C -1.389 175.179 176.600 -0.053 0.000 0.880 108 E CA -0.614 55.739 56.400 -0.078 0.000 0.765 108 E CB 1.533 31.208 29.700 -0.041 0.000 1.174 108 E HN 0.687 nan 8.360 nan 0.000 0.417 109 M N 2.802 122.384 119.600 -0.029 0.000 2.227 109 M HA 0.346 4.830 4.480 0.008 0.000 0.335 109 M C -0.931 175.439 176.300 0.117 0.000 1.053 109 M CA -0.450 54.891 55.300 0.069 0.000 0.973 109 M CB 2.282 34.965 32.600 0.138 0.000 1.623 109 M HN 0.334 nan 8.290 nan 0.000 0.434 110 T N 3.753 118.345 114.554 0.063 0.000 2.812 110 T HA 0.604 4.959 4.350 0.008 0.000 0.282 110 T C -1.342 173.320 174.700 -0.063 0.000 0.990 110 T CA -0.560 61.536 62.100 -0.006 0.000 0.960 110 T CB 1.530 70.401 68.868 0.005 0.000 0.948 110 T HN 0.413 nan 8.240 nan 0.000 0.438 111 L N 4.262 125.353 121.223 -0.220 0.000 2.325 111 L HA 0.695 5.040 4.340 0.008 0.000 0.281 111 L C -0.448 176.382 176.870 -0.067 0.000 1.004 111 L CA -0.228 54.449 54.840 -0.272 0.000 0.823 111 L CB 0.840 42.472 42.059 -0.712 0.000 1.236 111 L HN 0.580 nan 8.230 nan 0.000 0.415 112 R N 3.305 123.818 120.500 0.020 0.000 2.836 112 R HA 0.553 4.898 4.340 0.008 0.000 0.269 112 R C -1.439 174.931 176.300 0.117 0.000 1.010 112 R CA -0.780 55.453 56.100 0.221 0.000 0.930 112 R CB 1.788 32.209 30.300 0.200 0.000 1.218 112 R HN 0.345 nan 8.270 nan 0.000 0.473 113 F N 0.057 120.131 119.950 0.207 0.000 2.385 113 F HA 0.378 4.909 4.527 0.007 0.000 0.336 113 F C 0.961 176.865 175.800 0.174 0.000 1.100 113 F CA 0.044 58.123 58.000 0.133 0.000 1.116 113 F CB 1.796 40.810 39.000 0.024 0.000 1.166 113 F HN 0.691 nan 8.300 nan 0.000 0.511 114 A N 1.166 124.139 122.820 0.255 0.000 2.055 114 A HA 0.295 4.619 4.320 0.008 0.000 0.205 114 A C 0.657 178.409 177.584 0.279 0.000 1.235 114 A CA 0.981 53.165 52.037 0.244 0.000 0.822 114 A CB -0.105 18.858 19.000 -0.063 0.000 0.903 114 A HN 0.696 nan 8.150 nan 0.000 0.473 115 T N -5.442 109.253 114.554 0.235 0.000 2.787 115 T HA 0.513 4.868 4.350 0.008 0.000 0.297 115 T C -2.943 171.896 174.700 0.231 0.000 1.221 115 T CA -1.259 60.974 62.100 0.222 0.000 1.006 115 T CB 1.253 70.213 68.868 0.155 0.000 1.328 115 T HN -0.167 nan 8.240 nan 0.000 0.509 116 P HA 0.192 nan 4.420 nan 0.000 0.239 116 P C 0.725 178.197 177.300 0.285 0.000 1.184 116 P CA 0.355 63.564 63.100 0.181 0.000 0.760 116 P CB 0.115 31.925 31.700 0.183 0.000 0.884 117 R N -2.975 117.706 120.500 0.301 0.000 2.526 117 R HA 0.270 4.614 4.340 0.008 0.000 0.346 117 R C -0.161 176.407 176.300 0.446 0.000 0.926 117 R CA 0.358 56.681 56.100 0.372 0.000 1.147 117 R CB 0.473 30.906 30.300 0.221 0.000 1.629 117 R HN 0.048 nan 8.270 nan 0.000 0.516 118 T N 1.044 115.834 114.554 0.394 0.000 2.921 118 T HA 0.351 4.705 4.350 0.008 0.000 0.297 118 T C -0.411 174.411 174.700 0.203 0.000 1.013 118 T CA -0.533 61.752 62.100 0.308 0.000 0.990 118 T CB 2.483 71.402 68.868 0.085 0.000 1.023 118 T HN 0.082 nan 8.240 nan 0.000 0.447 119 S N 2.340 118.102 115.700 0.103 0.000 2.593 119 S HA 0.832 5.306 4.470 0.008 0.000 0.297 119 S C -0.865 173.640 174.600 -0.158 0.000 1.112 119 S CA -0.957 57.056 58.200 -0.313 0.000 1.043 119 S CB 1.467 64.291 63.200 -0.626 0.000 1.054 119 S HN 0.553 nan 8.310 nan 0.000 0.516 120 L N 2.206 123.324 121.223 -0.176 0.000 2.356 120 L HA 0.725 5.069 4.340 0.008 0.000 0.277 120 L C -1.343 175.461 176.870 -0.110 0.000 0.996 120 L CA -0.931 53.833 54.840 -0.126 0.000 0.822 120 L CB 1.519 43.557 42.059 -0.035 0.000 1.256 120 L HN 0.823 nan 8.230 nan 0.000 0.413 121 L N 4.554 125.685 121.223 -0.154 0.000 2.287 121 L HA 0.544 4.888 4.340 0.008 0.000 0.287 121 L C -0.483 176.375 176.870 -0.019 0.000 1.022 121 L CA 0.051 54.836 54.840 -0.092 0.000 0.814 121 L CB 1.403 43.387 42.059 -0.125 0.000 1.217 121 L HN 0.798 nan 8.230 nan 0.000 0.420 122 E N 3.071 123.271 120.200 0.001 0.000 2.134 122 E HA 0.351 4.706 4.350 0.008 0.000 0.278 122 E C -1.192 175.325 176.600 -0.138 0.000 0.959 122 E CA -0.442 55.871 56.400 -0.145 0.000 0.783 122 E CB 0.943 30.651 29.700 0.013 0.000 1.095 122 E HN 0.694 nan 8.360 nan 0.000 0.399 123 T N 5.432 119.855 114.554 -0.218 0.000 2.947 123 T HA 0.185 4.540 4.350 0.008 0.000 0.337 123 T C -0.339 174.282 174.700 -0.132 0.000 1.139 123 T CA -0.507 61.538 62.100 -0.092 0.000 0.992 123 T CB 0.461 69.340 68.868 0.018 0.000 1.043 123 T HN 0.311 nan 8.240 nan 0.000 0.498 124 K N 4.733 125.071 120.400 -0.103 0.000 2.267 124 K HA 0.442 4.767 4.320 0.008 0.000 0.282 124 K C -0.684 175.880 176.600 -0.060 0.000 1.078 124 K CA -0.454 55.783 56.287 -0.082 0.000 0.903 124 K CB 0.272 32.740 32.500 -0.054 0.000 1.111 124 K HN 0.550 nan 8.250 nan 0.000 0.475 125 I N 3.610 124.153 120.570 -0.046 0.000 2.354 125 I HA 0.182 4.357 4.170 0.008 0.000 0.292 125 I C -0.280 175.828 176.117 -0.015 0.000 0.989 125 I CA -0.675 60.605 61.300 -0.033 0.000 1.188 125 I CB 2.089 40.076 38.000 -0.022 0.000 1.342 125 I HN 0.491 nan 8.210 nan 0.000 0.457 126 T N 4.360 118.910 114.554 -0.006 0.000 2.770 126 T HA 0.469 4.823 4.350 0.008 0.000 0.283 126 T C -0.445 174.264 174.700 0.015 0.000 0.988 126 T CA -0.537 61.566 62.100 0.005 0.000 0.957 126 T CB 1.168 70.040 68.868 0.007 0.000 0.930 126 T HN 0.586 nan 8.240 nan 0.000 0.443 127 S N 2.285 117.991 115.700 0.009 0.000 2.543 127 S HA 0.301 4.775 4.470 0.008 0.000 0.273 127 S C 0.426 175.028 174.600 0.004 0.000 1.152 127 S CA -0.857 57.348 58.200 0.009 0.000 0.910 127 S CB 0.880 64.083 63.200 0.004 0.000 1.105 127 S HN 0.725 nan 8.310 nan 0.000 0.465 128 N N 3.247 121.949 118.700 0.004 0.000 2.398 128 N HA 0.151 4.895 4.740 0.008 0.000 0.188 128 N C -0.166 175.346 175.510 0.004 0.000 1.122 128 N CA 0.019 53.072 53.050 0.004 0.000 0.866 128 N CB -0.007 38.483 38.487 0.004 0.000 0.970 128 N HN 0.540 nan 8.380 nan 0.000 0.462 129 K N -0.138 120.262 120.400 0.000 0.000 2.509 129 K HA 0.484 4.809 4.320 0.008 0.000 0.266 129 K C -2.988 173.606 176.600 -0.009 0.000 0.987 129 K CA -1.949 54.340 56.287 0.003 0.000 0.868 129 K CB 2.032 34.536 32.500 0.006 0.000 1.421 129 K HN -0.165 nan 8.250 nan 0.000 0.444 130 P HA 0.160 nan 4.420 nan 0.000 0.269 130 P C -0.986 176.268 177.300 -0.077 0.000 1.215 130 P CA 0.045 63.112 63.100 -0.055 0.000 0.780 130 P CB 0.506 32.245 31.700 0.064 0.000 0.898 131 L N 1.234 122.329 121.223 -0.214 0.000 2.415 131 L HA 0.472 4.816 4.340 0.008 0.000 0.256 131 L C -0.630 176.149 176.870 -0.152 0.000 1.010 131 L CA -0.808 53.964 54.840 -0.113 0.000 0.826 131 L CB 2.273 44.291 42.059 -0.067 0.000 1.405 131 L HN 0.174 nan 8.230 nan 0.000 0.410 132 D N 2.732 123.147 120.400 0.024 0.000 2.381 132 D HA 0.503 5.148 4.640 0.008 0.000 0.235 132 D C -0.745 175.564 176.300 0.016 0.000 1.068 132 D CA -0.200 53.837 54.000 0.061 0.000 0.832 132 D CB 2.259 43.125 40.800 0.110 0.000 1.101 132 D HN 0.209 nan 8.370 nan 0.000 0.515 133 L N 1.522 122.679 121.223 -0.110 0.000 2.307 133 L HA 0.573 4.918 4.340 0.008 0.000 0.282 133 L C -0.182 176.410 176.870 -0.462 0.000 1.051 133 L CA -0.956 53.665 54.840 -0.364 0.000 0.804 133 L CB 1.714 43.406 42.059 -0.612 0.000 1.197 133 L HN -0.038 nan 8.230 nan 0.000 0.431 134 V N 1.282 120.893 119.914 -0.506 0.000 2.577 134 V HA 0.457 4.582 4.120 0.008 0.000 0.303 134 V C -0.917 174.966 176.094 -0.351 0.000 1.042 134 V CA -0.618 61.508 62.300 -0.290 0.000 0.872 134 V CB 2.200 33.967 31.823 -0.093 0.000 0.998 134 V HN 0.612 nan 8.190 nan 0.000 0.423 135 W N 3.459 124.804 121.300 0.075 0.000 2.666 135 W HA 0.624 5.288 4.660 0.007 0.000 0.334 135 W C -0.602 175.862 176.519 -0.091 0.000 1.051 135 W CA -0.478 56.903 57.345 0.060 0.000 1.224 135 W CB 2.303 31.862 29.460 0.163 0.000 1.405 135 W HN 0.739 nan 8.180 nan 0.000 0.513 136 D N 0.327 120.662 120.400 -0.109 0.000 2.559 136 D HA 0.753 5.397 4.640 0.008 0.000 0.250 136 D C -0.560 175.190 176.300 -0.918 0.000 1.135 136 D CA -0.501 53.111 54.000 -0.647 0.000 0.955 136 D CB 2.508 43.110 40.800 -0.329 0.000 1.442 136 D HN 0.451 nan 8.370 nan 0.000 0.471 137 G N -0.633 107.425 108.800 -1.237 0.000 2.547 137 G HA2 0.466 4.431 3.960 0.008 0.000 0.291 137 G HA3 0.466 4.431 3.960 0.008 0.000 0.291 137 G C -1.968 172.773 174.900 -0.266 0.000 1.471 137 G CA -0.775 43.930 45.100 -0.657 0.000 0.798 137 G HN 0.682 nan 8.290 nan 0.000 0.504 138 E N 0.232 120.504 120.200 0.120 0.000 2.335 138 E HA 0.458 4.812 4.350 0.008 0.000 0.280 138 E C -0.809 175.926 176.600 0.224 0.000 0.918 138 E CA -0.768 55.724 56.400 0.154 0.000 0.765 138 E CB 1.846 31.564 29.700 0.030 0.000 1.218 138 E HN 0.489 nan 8.360 nan 0.000 0.425 139 L N 3.871 125.209 121.223 0.192 0.000 2.436 139 L HA 0.300 4.645 4.340 0.008 0.000 0.265 139 L C 0.524 177.428 176.870 0.057 0.000 1.168 139 L CA -0.537 54.365 54.840 0.104 0.000 0.815 139 L CB 0.257 42.359 42.059 0.072 0.000 1.109 139 L HN 0.511 nan 8.230 nan 0.000 0.462 140 L N 1.572 122.818 121.223 0.039 0.000 2.473 140 L HA 0.034 4.379 4.340 0.008 0.000 0.268 140 L C 1.227 178.116 176.870 0.031 0.000 1.215 140 L CA 0.480 55.330 54.840 0.016 0.000 0.823 140 L CB 0.586 42.662 42.059 0.029 0.000 1.099 140 L HN 0.781 nan 8.230 nan 0.000 0.483 141 E N 0.861 121.059 120.200 -0.004 0.000 2.354 141 E HA 0.084 4.438 4.350 0.008 0.000 0.203 141 E C 0.032 176.646 176.600 0.022 0.000 0.841 141 E CA -0.171 56.238 56.400 0.015 0.000 1.046 141 E CB 0.569 30.264 29.700 -0.009 0.000 1.040 141 E HN 0.488 nan 8.360 nan 0.000 0.504 142 K N 1.355 121.733 120.400 -0.038 0.000 2.270 142 K HA 0.101 4.425 4.320 0.008 0.000 0.276 142 K C 0.791 177.475 176.600 0.140 0.000 1.023 142 K CA -0.323 55.974 56.287 0.017 0.000 0.955 142 K CB 1.743 34.151 32.500 -0.152 0.000 0.975 142 K HN 0.063 nan 8.250 nan 0.000 0.471 143 L N 2.319 123.648 121.223 0.177 0.000 2.084 143 L HA -0.027 4.317 4.340 0.008 0.000 0.202 143 L C 0.283 177.226 176.870 0.120 0.000 1.074 143 L CA 1.545 56.470 54.840 0.142 0.000 0.757 143 L CB 0.078 42.172 42.059 0.058 0.000 0.918 143 L HN 0.793 nan 8.230 nan 0.000 0.444 144 E N -0.788 119.463 120.200 0.086 0.000 2.356 144 E HA 0.679 5.034 4.350 0.008 0.000 0.275 144 E C -1.426 174.907 176.600 -0.445 0.000 0.904 144 E CA -0.768 55.534 56.400 -0.164 0.000 0.757 144 E CB 1.964 31.556 29.700 -0.181 0.000 1.232 144 E HN 0.158 nan 8.360 nan 0.000 0.442 145 A N 2.123 124.575 122.820 -0.613 0.000 2.587 145 A HA 0.701 5.026 4.320 0.008 0.000 0.293 145 A C -1.539 175.849 177.584 -0.325 0.000 1.087 145 A CA -0.907 50.712 52.037 -0.696 0.000 0.692 145 A CB 2.193 20.353 19.000 -1.399 0.000 1.291 145 A HN 0.579 nan 8.150 nan 0.000 0.407 146 K N 0.922 121.200 120.400 -0.204 0.000 2.507 146 K HA 0.501 4.825 4.320 0.008 0.000 0.252 146 K C -0.672 175.896 176.600 -0.053 0.000 0.943 146 K CA -0.178 56.068 56.287 -0.068 0.000 0.808 146 K CB 0.723 33.208 32.500 -0.025 0.000 1.142 146 K HN 0.751 nan 8.250 nan 0.000 0.426 147 E N 2.622 122.804 120.200 -0.030 0.000 2.476 147 E HA -0.278 4.077 4.350 0.008 0.000 0.251 147 E C 0.495 177.079 176.600 -0.027 0.000 1.130 147 E CA 0.698 57.085 56.400 -0.023 0.000 0.736 147 E CB -1.457 28.245 29.700 0.003 0.000 1.298 147 E HN 1.181 nan 8.360 nan 0.000 0.400 148 G N -0.584 108.191 108.800 -0.042 0.000 2.225 148 G HA2 -0.327 3.638 3.960 0.008 0.000 0.254 148 G HA3 -0.327 3.638 3.960 0.008 0.000 0.254 148 G C 0.193 175.082 174.900 -0.017 0.000 0.988 148 G CA 0.634 45.741 45.100 0.011 0.000 0.625 148 G HN 0.092 nan 8.290 nan 0.000 0.527 149 K N 1.788 122.141 120.400 -0.078 0.000 2.213 149 K HA 0.433 4.757 4.320 0.008 0.000 0.270 149 K C -2.378 174.108 176.600 -0.190 0.000 1.002 149 K CA -2.074 54.167 56.287 -0.076 0.000 0.868 149 K CB 2.087 34.564 32.500 -0.039 0.000 1.093 149 K HN 0.185 nan 8.250 nan 0.000 0.454 150 P HA 0.026 nan 4.420 nan 0.000 0.264 150 P C 0.377 177.596 177.300 -0.134 0.000 1.193 150 P CA 0.089 63.059 63.100 -0.216 0.000 0.763 150 P CB 0.685 32.408 31.700 0.040 0.000 0.810 151 L N 1.640 122.768 121.223 -0.159 0.000 2.558 151 L HA 0.044 4.388 4.340 0.008 0.000 0.225 151 L C 1.254 178.094 176.870 -0.049 0.000 1.128 151 L CA 0.629 55.414 54.840 -0.091 0.000 0.868 151 L CB -0.193 41.807 42.059 -0.098 0.000 1.006 151 L HN 0.616 nan 8.230 nan 0.000 0.454 152 S N -2.319 113.362 115.700 -0.032 0.000 2.660 152 S HA 0.093 4.568 4.470 0.008 0.000 0.264 152 S C -0.879 173.738 174.600 0.028 0.000 1.131 152 S CA -0.340 57.858 58.200 -0.004 0.000 0.846 152 S CB 0.803 63.995 63.200 -0.013 0.000 1.151 152 S HN 0.117 nan 8.310 nan 0.000 0.486 153 D N -0.414 120.002 120.400 0.026 0.000 2.368 153 D HA 0.237 4.881 4.640 0.008 0.000 0.218 153 D C 0.006 176.325 176.300 0.032 0.000 1.112 153 D CA -0.376 53.648 54.000 0.040 0.000 0.834 153 D CB -0.090 40.727 40.800 0.027 0.000 0.953 153 D HN 0.507 nan 8.370 nan 0.000 0.505 154 K N 0.639 121.051 120.400 0.021 0.000 2.436 154 K HA 0.266 4.591 4.320 0.008 0.000 0.275 154 K C 0.488 177.103 176.600 0.024 0.000 0.999 154 K CA 0.201 56.489 56.287 0.002 0.000 0.980 154 K CB 0.654 33.136 32.500 -0.030 0.000 0.919 154 K HN 0.272 nan 8.250 nan 0.000 0.484 155 T N -1.256 113.305 114.554 0.012 0.000 2.950 155 T HA 0.302 4.657 4.350 0.008 0.000 0.288 155 T C 1.396 176.124 174.700 0.046 0.000 1.035 155 T CA -1.011 61.112 62.100 0.039 0.000 1.028 155 T CB 0.800 69.690 68.868 0.037 0.000 1.109 155 T HN 0.240 nan 8.240 nan 0.000 0.514 156 I N 1.001 121.640 120.570 0.115 0.000 2.179 156 I HA -0.065 4.110 4.170 0.008 0.000 0.242 156 I C 2.959 179.224 176.117 0.247 0.000 1.088 156 I CA 1.769 63.204 61.300 0.226 0.000 1.357 156 I CB -1.991 36.187 38.000 0.297 0.000 1.051 156 I HN 0.901 nan 8.210 nan 0.000 0.409 157 A N 0.908 123.839 122.820 0.185 0.000 1.933 157 A HA -0.063 4.262 4.320 0.008 0.000 0.218 157 A C 2.497 180.137 177.584 0.094 0.000 1.175 157 A CA 1.766 53.904 52.037 0.168 0.000 0.628 157 A CB -1.268 17.800 19.000 0.115 0.000 0.814 157 A HN 0.432 nan 8.150 nan 0.000 0.444 158 G N -0.572 108.249 108.800 0.036 0.000 2.402 158 G HA2 -0.190 3.774 3.960 0.008 0.000 0.216 158 G HA3 -0.190 3.774 3.960 0.008 0.000 0.216 158 G C 1.468 176.315 174.900 -0.088 0.000 1.162 158 G CA 1.240 46.333 45.100 -0.013 0.000 0.777 158 G HN 0.574 nan 8.290 nan 0.000 0.539 159 E N -0.288 119.794 120.200 -0.197 0.000 2.107 159 E HA -0.021 4.334 4.350 0.008 0.000 0.191 159 E C -0.093 176.112 176.600 -0.657 0.000 0.982 159 E CA 0.507 56.605 56.400 -0.504 0.000 0.809 159 E CB -0.105 29.124 29.700 -0.785 0.000 0.756 159 E HN 0.493 nan 8.360 nan 0.000 0.459 160 Y N -0.953 119.360 120.300 0.022 0.000 2.748 160 Y HA 0.340 4.895 4.550 0.008 0.000 0.359 160 Y C -2.069 173.883 175.900 0.086 0.000 1.030 160 Y CA -2.729 55.380 58.100 0.016 0.000 1.169 160 Y CB 1.303 39.718 38.460 -0.075 0.000 1.127 160 Y HN 0.044 nan 8.280 nan 0.000 0.644 161 P HA -0.155 nan 4.420 nan 0.000 0.218 161 P C 0.711 178.103 177.300 0.152 0.000 1.146 161 P CA 1.658 64.834 63.100 0.127 0.000 0.813 161 P CB 0.444 32.188 31.700 0.074 0.000 0.778 162 D N -2.974 117.530 120.400 0.175 0.000 2.339 162 D HA -0.052 4.592 4.640 0.008 0.000 0.217 162 D C 1.490 177.936 176.300 0.245 0.000 1.050 162 D CA 0.203 54.302 54.000 0.165 0.000 0.856 162 D CB -0.397 40.478 40.800 0.125 0.000 0.922 162 D HN 0.145 nan 8.370 nan 0.000 0.518 163 Y N 1.851 122.228 120.300 0.129 0.000 2.224 163 Y HA -0.161 4.393 4.550 0.006 0.000 0.289 163 Y C 0.685 176.661 175.900 0.128 0.000 1.146 163 Y CA 0.944 59.125 58.100 0.136 0.000 1.182 163 Y CB -0.367 38.192 38.460 0.165 0.000 0.983 163 Y HN 0.018 nan 8.280 nan 0.000 0.524 164 Q N 1.293 121.205 119.800 0.186 0.000 2.402 164 Q HA -0.289 4.055 4.340 0.008 0.000 0.356 164 Q C -0.202 175.756 176.000 -0.069 0.000 1.344 164 Q CA 0.464 56.299 55.803 0.053 0.000 1.062 164 Q CB -1.155 27.616 28.738 0.055 0.000 1.268 164 Q HN 0.424 nan 8.270 nan 0.000 0.383 165 R N 1.238 121.636 120.500 -0.170 0.000 2.623 165 R HA 0.258 4.603 4.340 0.008 0.000 0.271 165 R C 0.164 176.335 176.300 -0.216 0.000 1.043 165 R CA 0.449 56.356 56.100 -0.322 0.000 1.083 165 R CB 0.590 30.685 30.300 -0.341 0.000 0.974 165 R HN 0.148 nan 8.270 nan 0.000 0.436 166 K N 3.001 123.237 120.400 -0.273 0.000 2.525 166 K HA 0.337 4.662 4.320 0.008 0.000 0.254 166 K C -1.258 175.246 176.600 -0.159 0.000 0.934 166 K CA -0.564 55.627 56.287 -0.159 0.000 0.802 166 K CB 1.378 33.808 32.500 -0.116 0.000 1.295 166 K HN 0.439 nan 8.250 nan 0.000 0.433 167 I N 2.501 123.030 120.570 -0.069 0.000 2.359 167 I HA 0.277 4.452 4.170 0.008 0.000 0.294 167 I C -0.488 175.599 176.117 -0.051 0.000 0.987 167 I CA -0.553 60.726 61.300 -0.034 0.000 1.225 167 I CB 1.952 39.992 38.000 0.067 0.000 1.366 167 I HN 0.462 nan 8.210 nan 0.000 0.466 168 S N 4.297 119.950 115.700 -0.079 0.000 2.557 168 S HA 0.673 5.147 4.470 0.008 0.000 0.291 168 S C -0.168 174.368 174.600 -0.107 0.000 1.116 168 S CA -0.659 57.494 58.200 -0.078 0.000 0.992 168 S CB 1.946 65.101 63.200 -0.074 0.000 1.028 168 S HN 0.717 nan 8.310 nan 0.000 0.484 169 A N 2.449 125.211 122.820 -0.096 0.000 2.351 169 A HA 0.730 5.055 4.320 0.008 0.000 0.257 169 A C 0.665 178.182 177.584 -0.111 0.000 1.087 169 A CA -0.255 51.710 52.037 -0.119 0.000 0.798 169 A CB 0.055 19.005 19.000 -0.084 0.000 1.033 169 A HN 0.849 nan 8.150 nan 0.000 0.488 170 T N -1.876 112.596 114.554 -0.137 0.000 2.773 170 T HA 0.485 4.840 4.350 0.008 0.000 0.278 170 T C 0.797 175.437 174.700 -0.099 0.000 1.011 170 T CA -0.302 61.725 62.100 -0.121 0.000 1.014 170 T CB 1.047 69.810 68.868 -0.174 0.000 1.293 170 T HN 0.734 nan 8.240 nan 0.000 0.554 171 R N 0.383 120.839 120.500 -0.072 0.000 2.339 171 R HA 0.109 4.454 4.340 0.008 0.000 0.199 171 R C 0.049 176.318 176.300 -0.053 0.000 1.018 171 R CA 1.219 57.291 56.100 -0.047 0.000 1.036 171 R CB -0.498 29.788 30.300 -0.023 0.000 0.899 171 R HN 0.739 nan 8.270 nan 0.000 0.473 172 D N -1.915 118.429 120.400 -0.093 0.000 2.848 172 D HA 0.188 4.833 4.640 0.008 0.000 0.303 172 D C 0.373 176.560 176.300 -0.188 0.000 1.665 172 D CA 0.200 54.141 54.000 -0.098 0.000 0.807 172 D CB 0.279 41.063 40.800 -0.027 0.000 1.288 172 D HN 0.242 nan 8.370 nan 0.000 0.441 173 G N 0.493 109.156 108.800 -0.229 0.000 2.530 173 G HA2 0.373 4.338 3.960 0.008 0.000 0.081 173 G HA3 0.373 4.338 3.960 0.008 0.000 0.081 173 G C -1.469 173.246 174.900 -0.308 0.000 1.062 173 G CA -0.108 44.812 45.100 -0.300 0.000 1.108 173 G HN 0.653 nan 8.290 nan 0.000 0.466 174 L N -2.097 118.919 121.223 -0.345 0.000 2.933 174 L HA 0.918 5.263 4.340 0.008 0.000 0.271 174 L C -1.532 175.201 176.870 -0.227 0.000 1.071 174 L CA -1.100 53.564 54.840 -0.293 0.000 0.938 174 L CB 1.941 43.762 42.059 -0.396 0.000 1.534 174 L HN 1.065 nan 8.230 nan 0.000 0.396 175 K N 0.026 120.339 120.400 -0.146 0.000 2.532 175 K HA 0.803 5.128 4.320 0.008 0.000 0.265 175 K C -1.955 174.609 176.600 -0.059 0.000 0.948 175 K CA -0.919 55.323 56.287 -0.076 0.000 0.842 175 K CB 2.632 35.081 32.500 -0.086 0.000 1.392 175 K HN 0.407 nan 8.250 nan 0.000 0.436 176 V N 1.874 121.756 119.914 -0.054 0.000 2.417 176 V HA 0.443 4.568 4.120 0.008 0.000 0.291 176 V C -0.277 175.508 176.094 -0.514 0.000 1.024 176 V CA -0.511 61.626 62.300 -0.272 0.000 0.861 176 V CB 1.429 33.077 31.823 -0.292 0.000 0.985 176 V HN 0.997 nan 8.190 nan 0.000 0.436 177 T N 1.517 115.730 114.554 -0.568 0.000 2.925 177 T HA 0.822 5.176 4.350 0.008 0.000 0.285 177 T C -0.911 173.343 174.700 -0.742 0.000 1.021 177 T CA -0.487 61.333 62.100 -0.468 0.000 1.042 177 T CB 1.420 70.174 68.868 -0.191 0.000 1.037 177 T HN 0.191 nan 8.240 nan 0.000 0.481 178 F N 0.078 120.006 119.950 -0.038 0.000 2.540 178 F HA 0.663 5.194 4.527 0.007 0.000 0.317 178 F C 0.925 176.750 175.800 0.042 0.000 1.104 178 F CA -0.922 57.041 58.000 -0.063 0.000 0.913 178 F CB 1.926 40.928 39.000 0.003 0.000 1.170 178 F HN 1.005 nan 8.300 nan 0.000 0.450 179 G N 0.978 109.935 108.800 0.260 0.000 2.616 179 G HA2 0.282 4.247 3.960 0.008 0.000 0.268 179 G HA3 0.282 4.247 3.960 0.008 0.000 0.268 179 G C -0.964 174.073 174.900 0.229 0.000 1.213 179 G CA -0.784 44.440 45.100 0.207 0.000 0.926 179 G HN 0.630 nan 8.290 nan 0.000 0.523 180 K N -0.249 120.233 120.400 0.137 0.000 2.349 180 K HA 0.391 4.715 4.320 0.008 0.000 0.288 180 K C -0.960 175.675 176.600 0.059 0.000 1.058 180 K CA -0.259 56.078 56.287 0.085 0.000 0.953 180 K CB 0.534 33.067 32.500 0.054 0.000 0.997 180 K HN 0.112 nan 8.250 nan 0.000 0.477 181 V N 5.948 125.860 119.914 -0.004 0.000 2.525 181 V HA 0.349 4.474 4.120 0.008 0.000 0.299 181 V C -0.324 175.708 176.094 -0.104 0.000 1.034 181 V CA -0.946 61.309 62.300 -0.073 0.000 0.863 181 V CB 1.674 33.345 31.823 -0.253 0.000 0.999 181 V HN 0.719 nan 8.190 nan 0.000 0.423 182 R N 3.273 123.734 120.500 -0.066 0.000 3.472 182 R HA 0.458 4.803 4.340 0.008 0.000 0.322 182 R C 0.290 176.538 176.300 -0.087 0.000 1.330 182 R CA -0.312 55.742 56.100 -0.077 0.000 1.387 182 R CB 0.970 31.237 30.300 -0.054 0.000 1.446 182 R HN 0.697 nan 8.270 nan 0.000 0.628 183 A N 0.860 123.619 122.820 -0.101 0.000 2.805 183 A HA 0.196 4.520 4.320 0.008 0.000 0.301 183 A C 1.180 178.679 177.584 -0.143 0.000 1.557 183 A CA -0.193 51.802 52.037 -0.070 0.000 1.254 183 A CB -0.183 18.814 19.000 -0.006 0.000 1.114 183 A HN 0.382 nan 8.150 nan 0.000 0.553 184 T N 1.321 115.709 114.554 -0.276 0.000 2.701 184 T HA -0.275 4.079 4.350 0.008 0.000 0.265 184 T C 0.835 175.279 174.700 -0.427 0.000 1.032 184 T CA 2.476 64.253 62.100 -0.538 0.000 1.158 184 T CB -0.322 67.893 68.868 -1.087 0.000 0.854 184 T HN 0.891 nan 8.240 nan 0.000 0.463 185 W N 0.484 121.858 121.300 0.123 0.000 3.132 185 W HA 0.371 5.035 4.660 0.007 0.000 0.364 185 W C 1.314 177.477 176.519 -0.594 0.000 1.129 185 W CA -0.711 56.688 57.345 0.091 0.000 1.815 185 W CB 0.609 30.226 29.460 0.262 0.000 1.099 185 W HN 0.203 nan 8.180 nan 0.000 0.605 186 D N -0.933 119.149 120.400 -0.529 0.000 2.272 186 D HA 0.123 4.767 4.640 0.008 0.000 0.308 186 D C -0.487 175.491 176.300 -0.538 0.000 1.104 186 D CA 0.256 53.883 54.000 -0.620 0.000 0.939 186 D CB 0.922 41.649 40.800 -0.122 0.000 1.733 186 D HN -0.114 nan 8.370 nan 0.000 0.517 187 L N 1.640 122.652 121.223 -0.351 0.000 2.562 187 L HA 0.420 4.765 4.340 0.008 0.000 0.266 187 L C -2.243 174.476 176.870 -0.252 0.000 0.949 187 L CA -0.368 54.260 54.840 -0.353 0.000 0.879 187 L CB 1.804 43.380 42.059 -0.805 0.000 1.278 187 L HN -0.156 nan 8.230 nan 0.000 0.404 188 L N 4.809 125.945 121.223 -0.146 0.000 2.372 188 L HA 0.820 5.165 4.340 0.008 0.000 0.274 188 L C -0.382 176.359 176.870 -0.216 0.000 0.988 188 L CA -0.352 54.393 54.840 -0.158 0.000 0.833 188 L CB 2.173 44.168 42.059 -0.108 0.000 1.236 188 L HN 0.776 nan 8.230 nan 0.000 0.410 189 T N -2.468 111.981 114.554 -0.175 0.000 2.896 189 T HA 0.303 4.658 4.350 0.008 0.000 0.297 189 T C 0.706 175.361 174.700 -0.075 0.000 1.108 189 T CA -0.136 61.887 62.100 -0.130 0.000 1.004 189 T CB 1.881 70.736 68.868 -0.023 0.000 1.159 189 T HN 0.480 nan 8.240 nan 0.000 0.499 190 S N 0.073 115.742 115.700 -0.051 0.000 2.478 190 S HA 0.398 4.872 4.470 0.008 0.000 0.222 190 S C 1.920 176.542 174.600 0.037 0.000 1.008 190 S CA 0.644 58.844 58.200 -0.001 0.000 0.928 190 S CB -0.647 62.562 63.200 0.016 0.000 0.781 190 S HN 2.293 nan 8.310 nan 0.000 0.518 191 G N 1.149 109.991 108.800 0.069 0.000 2.176 191 G HA2 -0.218 3.747 3.960 0.008 0.000 0.232 191 G HA3 -0.218 3.747 3.960 0.008 0.000 0.232 191 G C 0.326 175.280 174.900 0.089 0.000 0.986 191 G CA 0.294 45.449 45.100 0.092 0.000 0.643 191 G HN 0.609 nan 8.290 nan 0.000 0.522 192 E N 0.096 120.346 120.200 0.084 0.000 2.641 192 E HA 0.240 4.594 4.350 0.008 0.000 0.224 192 E C 0.982 177.642 176.600 0.100 0.000 0.951 192 E CA 0.415 56.861 56.400 0.076 0.000 1.102 192 E CB 0.800 30.532 29.700 0.052 0.000 1.091 192 E HN 0.601 nan 8.360 nan 0.000 0.507 193 S N 1.101 116.889 115.700 0.146 0.000 2.592 193 S HA 0.328 4.802 4.470 0.008 0.000 0.271 193 S C -0.017 174.807 174.600 0.373 0.000 1.326 193 S CA -0.417 57.903 58.200 0.199 0.000 1.024 193 S CB 1.403 64.702 63.200 0.165 0.000 0.921 193 S HN 0.090 nan 8.310 nan 0.000 0.527 194 E N 0.127 120.550 120.200 0.371 0.000 2.413 194 E HA 0.318 4.672 4.350 0.008 0.000 0.277 194 E C -2.098 174.795 176.600 0.488 0.000 0.958 194 E CA -0.683 55.938 56.400 0.368 0.000 0.779 194 E CB 1.677 31.467 29.700 0.150 0.000 1.278 194 E HN 0.690 nan 8.360 nan 0.000 0.456 195 Y N 1.689 122.153 120.300 0.275 0.000 2.338 195 Y HA 0.279 4.835 4.550 0.009 0.000 0.328 195 Y C -1.015 174.947 175.900 0.103 0.000 0.965 195 Y CA -0.318 57.899 58.100 0.196 0.000 1.208 195 Y CB 1.129 39.669 38.460 0.134 0.000 1.132 195 Y HN 0.363 nan 8.280 nan 0.000 0.469 196 Q N 4.506 124.163 119.800 -0.239 0.000 2.309 196 Q HA 0.695 5.040 4.340 0.008 0.000 0.264 196 Q C -1.388 174.498 176.000 -0.191 0.000 1.008 196 Q CA -1.287 54.425 55.803 -0.151 0.000 0.853 196 Q CB 2.970 31.728 28.738 0.033 0.000 1.314 196 Q HN 0.464 nan 8.270 nan 0.000 0.448 197 V N 2.389 122.201 119.914 -0.171 0.000 2.407 197 V HA 0.331 4.455 4.120 0.008 0.000 0.291 197 V C -1.181 174.726 176.094 -0.311 0.000 1.018 197 V CA -0.782 61.457 62.300 -0.102 0.000 0.842 197 V CB 1.154 32.967 31.823 -0.017 0.000 0.996 197 V HN 0.717 nan 8.190 nan 0.000 0.426 198 H N 3.005 121.971 119.070 -0.172 0.000 2.529 198 H HA 0.664 5.225 4.556 0.008 0.000 0.348 198 H C -0.407 174.803 175.328 -0.197 0.000 1.079 198 H CA -0.594 55.355 56.048 -0.165 0.000 1.198 198 H CB 1.751 31.432 29.762 -0.135 0.000 1.521 198 H HN 0.531 nan 8.280 nan 0.000 0.514 199 K N 0.555 120.900 120.400 -0.092 0.000 2.340 199 K HA 0.268 4.592 4.320 0.008 0.000 0.244 199 K C 0.366 176.935 176.600 -0.052 0.000 0.973 199 K CA -0.735 55.473 56.287 -0.131 0.000 0.828 199 K CB 2.044 34.382 32.500 -0.269 0.000 1.226 199 K HN 0.653 nan 8.250 nan 0.000 0.437 200 S N 0.543 116.232 115.700 -0.018 0.000 2.607 200 S HA 0.056 4.530 4.470 0.008 0.000 0.224 200 S C 0.556 175.174 174.600 0.029 0.000 0.969 200 S CA -0.293 57.928 58.200 0.036 0.000 0.927 200 S CB -0.869 62.402 63.200 0.117 0.000 0.772 200 S HN 0.512 nan 8.310 nan 0.000 0.533 201 L N -2.777 118.447 121.223 0.002 0.000 2.424 201 L HA 0.805 5.150 4.340 0.008 0.000 0.258 201 L C -3.459 173.416 176.870 0.008 0.000 0.995 201 L CA -2.575 52.280 54.840 0.025 0.000 0.821 201 L CB 1.011 43.108 42.059 0.063 0.000 1.383 201 L HN -0.287 nan 8.230 nan 0.000 0.410 202 P HA 0.315 nan 4.420 nan 0.000 0.271 202 P C -0.920 176.406 177.300 0.042 0.000 1.216 202 P CA -0.255 62.857 63.100 0.020 0.000 0.776 202 P CB 1.330 33.048 31.700 0.029 0.000 0.881 203 V N 0.204 120.131 119.914 0.021 0.000 2.962 203 V HA 0.634 4.758 4.120 0.008 0.000 0.313 203 V C -0.919 175.204 176.094 0.048 0.000 1.099 203 V CA -1.133 61.206 62.300 0.066 0.000 0.971 203 V CB 1.940 33.780 31.823 0.028 0.000 1.028 203 V HN 0.573 nan 8.190 nan 0.000 0.430 204 Q N 1.098 120.946 119.800 0.079 0.000 2.293 204 Q HA 0.794 5.138 4.340 0.008 0.000 0.261 204 Q C -0.790 175.248 176.000 0.063 0.000 0.960 204 Q CA -0.489 55.344 55.803 0.050 0.000 0.882 204 Q CB 1.945 30.709 28.738 0.042 0.000 1.275 204 Q HN 0.760 nan 8.270 nan 0.000 0.445 205 T N 1.803 116.379 114.554 0.037 0.000 2.863 205 T HA 0.394 4.748 4.350 0.008 0.000 0.285 205 T C -1.239 173.489 174.700 0.047 0.000 1.009 205 T CA -0.731 61.402 62.100 0.054 0.000 0.989 205 T CB 1.657 70.526 68.868 0.003 0.000 1.004 205 T HN 0.684 nan 8.240 nan 0.000 0.455 206 E N 2.682 122.929 120.200 0.078 0.000 2.191 206 E HA 0.526 4.881 4.350 0.008 0.000 0.263 206 E C -1.222 175.432 176.600 0.090 0.000 0.881 206 E CA -0.608 55.827 56.400 0.057 0.000 0.757 206 E CB 0.979 30.700 29.700 0.035 0.000 1.147 206 E HN 0.532 nan 8.360 nan 0.000 0.414 207 I N 3.922 124.531 120.570 0.065 0.000 2.378 207 I HA 0.286 4.461 4.170 0.008 0.000 0.291 207 I C -0.687 175.462 176.117 0.053 0.000 0.992 207 I CA -0.767 60.583 61.300 0.083 0.000 1.154 207 I CB 1.657 39.691 38.000 0.056 0.000 1.315 207 I HN 0.480 nan 8.210 nan 0.000 0.448 208 N N 4.933 123.668 118.700 0.058 0.000 2.746 208 N HA 0.472 5.217 4.740 0.008 0.000 0.250 208 N C 0.452 175.983 175.510 0.036 0.000 1.146 208 N CA 0.024 53.094 53.050 0.033 0.000 0.828 208 N CB 1.606 40.104 38.487 0.018 0.000 1.158 208 N HN 0.928 nan 8.380 nan 0.000 0.519 209 G N 1.967 110.786 108.800 0.031 0.000 2.565 209 G HA2 -0.395 3.569 3.960 0.008 0.000 0.295 209 G HA3 -0.395 3.569 3.960 0.008 0.000 0.295 209 G C 0.434 175.361 174.900 0.046 0.000 1.165 209 G CA -0.014 45.104 45.100 0.029 0.000 0.977 209 G HN 0.507 nan 8.290 nan 0.000 0.546 210 N N 2.388 121.118 118.700 0.050 0.000 2.313 210 N HA 0.151 4.896 4.740 0.008 0.000 0.207 210 N C 0.931 176.515 175.510 0.124 0.000 1.141 210 N CA 1.047 54.144 53.050 0.078 0.000 0.830 210 N CB -0.002 38.519 38.487 0.057 0.000 1.008 210 N HN 0.865 nan 8.380 nan 0.000 0.481 211 R N -0.241 120.323 120.500 0.106 0.000 2.854 211 R HA 0.613 4.957 4.340 0.008 0.000 0.271 211 R C -1.014 175.368 176.300 0.137 0.000 0.994 211 R CA -0.809 55.342 56.100 0.084 0.000 0.945 211 R CB 1.207 31.504 30.300 -0.005 0.000 1.194 211 R HN -0.101 nan 8.270 nan 0.000 0.476 212 F N -1.587 118.351 119.950 -0.019 0.000 2.643 212 F HA 0.748 5.280 4.527 0.008 0.000 0.314 212 F C -1.707 174.072 175.800 -0.034 0.000 1.096 212 F CA -0.836 57.142 58.000 -0.037 0.000 0.953 212 F CB 2.387 41.347 39.000 -0.066 0.000 1.345 212 F HN 0.504 nan 8.300 nan 0.000 0.468 213 T N 1.440 116.113 114.554 0.199 0.000 3.071 213 T HA 0.596 4.951 4.350 0.008 0.000 0.311 213 T C -1.293 173.578 174.700 0.284 0.000 1.042 213 T CA -0.710 61.451 62.100 0.102 0.000 1.028 213 T CB 1.510 70.376 68.868 -0.003 0.000 1.068 213 T HN 0.751 nan 8.240 nan 0.000 0.451 214 S N 2.555 118.479 115.700 0.374 0.000 2.566 214 S HA 0.745 5.219 4.470 0.008 0.000 0.298 214 S C -0.729 174.091 174.600 0.367 0.000 1.083 214 S CA -1.083 57.325 58.200 0.347 0.000 0.978 214 S CB 1.788 65.204 63.200 0.359 0.000 1.073 214 S HN 0.559 nan 8.310 nan 0.000 0.491 215 K N 0.528 121.099 120.400 0.286 0.000 2.482 215 K HA 0.865 5.190 4.320 0.008 0.000 0.257 215 K C -1.319 175.452 176.600 0.284 0.000 0.969 215 K CA -0.921 55.499 56.287 0.222 0.000 0.842 215 K CB 2.323 34.859 32.500 0.061 0.000 1.359 215 K HN 0.694 nan 8.250 nan 0.000 0.441 216 A N 1.250 124.219 122.820 0.248 0.000 2.589 216 A HA 0.403 4.727 4.320 0.008 0.000 0.296 216 A C -1.992 175.697 177.584 0.176 0.000 1.062 216 A CA -0.643 51.547 52.037 0.256 0.000 0.686 216 A CB 1.394 20.645 19.000 0.419 0.000 1.282 216 A HN 0.766 nan 8.150 nan 0.000 0.404 217 H N 2.496 121.612 119.070 0.078 0.000 2.466 217 H HA 0.719 5.279 4.556 0.007 0.000 0.338 217 H C -0.938 174.424 175.328 0.057 0.000 1.091 217 H CA -0.261 55.815 56.048 0.048 0.000 1.207 217 H CB 1.135 30.915 29.762 0.030 0.000 1.466 217 H HN 0.796 nan 8.280 nan 0.000 0.493 218 I N 1.543 121.839 120.570 -0.455 0.000 2.846 218 I HA 0.369 4.543 4.170 0.008 0.000 0.307 218 I C 0.033 175.933 176.117 -0.362 0.000 1.053 218 I CA -1.101 60.051 61.300 -0.248 0.000 1.050 218 I CB 2.004 39.941 38.000 -0.104 0.000 1.239 218 I HN 0.381 nan 8.210 nan 0.000 0.439 219 N N 2.366 120.999 118.700 -0.111 0.000 2.422 219 N HA 0.274 5.019 4.740 0.008 0.000 0.181 219 N C 0.482 175.972 175.510 -0.033 0.000 1.080 219 N CA 0.719 53.747 53.050 -0.036 0.000 0.893 219 N CB 0.945 39.454 38.487 0.037 0.000 0.973 219 N HN 0.978 nan 8.380 nan 0.000 0.456 220 G N -0.508 108.265 108.800 -0.045 0.000 2.367 220 G HA2 0.010 3.974 3.960 0.008 0.000 0.272 220 G HA3 0.010 3.974 3.960 0.008 0.000 0.272 220 G C -1.413 173.478 174.900 -0.016 0.000 1.271 220 G CA -0.759 44.327 45.100 -0.024 0.000 0.893 220 G HN -0.021 nan 8.290 nan 0.000 0.485 221 S N 0.049 115.746 115.700 -0.004 0.000 2.626 221 S HA 0.470 4.945 4.470 0.008 0.000 0.303 221 S C 0.291 174.892 174.600 0.003 0.000 1.256 221 S CA 1.341 59.541 58.200 -0.000 0.000 1.069 221 S CB 0.578 63.781 63.200 0.006 0.000 0.807 221 S HN 1.172 nan 8.310 nan 0.000 0.500 222 T N 2.109 116.662 114.554 -0.002 0.000 2.830 222 T HA 0.443 4.797 4.350 0.008 0.000 0.322 222 T C -1.417 173.271 174.700 -0.020 0.000 1.501 222 T CA -0.596 61.506 62.100 0.003 0.000 1.036 222 T CB 1.473 70.347 68.868 0.011 0.000 1.379 222 T HN 0.425 nan 8.240 nan 0.000 0.493 223 T N 3.762 118.298 114.554 -0.031 0.000 2.786 223 T HA 0.639 4.994 4.350 0.008 0.000 0.283 223 T C -0.403 174.169 174.700 -0.212 0.000 0.992 223 T CA -0.522 61.498 62.100 -0.132 0.000 0.954 223 T CB 0.378 69.178 68.868 -0.114 0.000 0.934 223 T HN 0.626 nan 8.240 nan 0.000 0.440 224 L N 0.916 121.970 121.223 -0.282 0.000 2.334 224 L HA 0.881 5.225 4.340 0.008 0.000 0.270 224 L C -1.255 175.284 176.870 -0.551 0.000 1.018 224 L CA -1.086 53.612 54.840 -0.237 0.000 0.811 224 L CB 0.610 42.650 42.059 -0.032 0.000 1.271 224 L HN 0.427 nan 8.230 nan 0.000 0.443 225 Y N -0.990 119.294 120.300 -0.025 0.000 2.425 225 Y HA 0.761 5.315 4.550 0.008 0.000 0.344 225 Y C -0.263 175.553 175.900 -0.139 0.000 0.969 225 Y CA -0.611 57.448 58.100 -0.067 0.000 1.052 225 Y CB 2.748 41.179 38.460 -0.047 0.000 1.215 225 Y HN 0.686 nan 8.280 nan 0.000 0.451 226 T N 1.599 116.102 114.554 -0.085 0.000 2.916 226 T HA 0.511 4.866 4.350 0.008 0.000 0.298 226 T C -0.629 173.834 174.700 -0.395 0.000 1.031 226 T CA -1.007 60.924 62.100 -0.282 0.000 0.993 226 T CB 1.361 69.963 68.868 -0.443 0.000 1.045 226 T HN 0.616 nan 8.240 nan 0.000 0.454 227 T N 0.397 114.743 114.554 -0.347 0.000 2.855 227 T HA 0.735 5.090 4.350 0.008 0.000 0.281 227 T C -1.394 173.117 174.700 -0.316 0.000 1.007 227 T CA -0.745 61.173 62.100 -0.303 0.000 1.009 227 T CB 0.842 69.615 68.868 -0.159 0.000 0.983 227 T HN 0.399 nan 8.240 nan 0.000 0.455 228 Y N 0.556 120.813 120.300 -0.071 0.000 2.350 228 Y HA 0.635 5.190 4.550 0.009 0.000 0.338 228 Y C 0.086 175.804 175.900 -0.303 0.000 0.961 228 Y CA -1.201 56.775 58.100 -0.206 0.000 1.100 228 Y CB 2.286 40.772 38.460 0.044 0.000 1.179 228 Y HN 0.804 nan 8.280 nan 0.000 0.454 229 S N 1.937 117.419 115.700 -0.364 0.000 2.614 229 S HA 0.263 4.738 4.470 0.008 0.000 0.288 229 S C -1.695 172.789 174.600 -0.193 0.000 1.137 229 S CA -0.732 57.337 58.200 -0.219 0.000 0.992 229 S CB 0.925 64.103 63.200 -0.036 0.000 1.026 229 S HN 0.623 nan 8.310 nan 0.000 0.486 230 H N 3.201 122.213 119.070 -0.097 0.000 2.581 230 H HA 0.601 5.162 4.556 0.008 0.000 0.308 230 H C -1.335 174.104 175.328 0.185 0.000 1.040 230 H CA -0.742 55.413 56.048 0.177 0.000 1.231 230 H CB 0.015 29.973 29.762 0.327 0.000 1.396 230 H HN 0.483 nan 8.280 nan 0.000 0.467 231 L N 6.357 127.584 121.223 0.006 0.000 2.313 231 L HA 0.218 4.563 4.340 0.008 0.000 0.283 231 L C 0.264 177.028 176.870 -0.177 0.000 1.013 231 L CA -0.727 54.067 54.840 -0.076 0.000 0.816 231 L CB 1.690 43.762 42.059 0.023 0.000 1.236 231 L HN 0.555 nan 8.230 nan 0.000 0.419 232 L N 1.621 122.695 121.223 -0.249 0.000 2.529 232 L HA 0.145 4.490 4.340 0.008 0.000 0.223 232 L C 1.001 177.835 176.870 -0.060 0.000 1.113 232 L CA 0.614 55.308 54.840 -0.243 0.000 0.861 232 L CB -0.069 41.729 42.059 -0.436 0.000 1.012 232 L HN 0.785 nan 8.230 nan 0.000 0.461 233 T N -6.149 108.406 114.554 0.002 0.000 2.864 233 T HA 0.649 5.004 4.350 0.008 0.000 0.299 233 T C 0.899 175.617 174.700 0.030 0.000 1.166 233 T CA -0.269 61.855 62.100 0.040 0.000 1.007 233 T CB 1.699 70.609 68.868 0.071 0.000 1.219 233 T HN -0.146 nan 8.240 nan 0.000 0.506 234 A N 0.523 123.362 122.820 0.032 0.000 1.940 234 A HA -0.072 4.252 4.320 0.008 0.000 0.219 234 A C 2.169 179.763 177.584 0.017 0.000 1.176 234 A CA 1.774 53.827 52.037 0.026 0.000 0.631 234 A CB -1.084 17.930 19.000 0.024 0.000 0.814 234 A HN 0.793 nan 8.150 nan 0.000 0.446 235 Q N -0.013 119.795 119.800 0.014 0.000 2.084 235 Q HA -0.136 4.208 4.340 0.008 0.000 0.202 235 Q C 1.886 177.888 176.000 0.003 0.000 0.978 235 Q CA 1.874 57.680 55.803 0.005 0.000 0.844 235 Q CB -0.355 28.381 28.738 -0.002 0.000 0.898 235 Q HN 0.801 nan 8.270 nan 0.000 0.426 236 E N -0.426 119.776 120.200 0.004 0.000 2.077 236 E HA -0.141 4.214 4.350 0.008 0.000 0.193 236 E C 1.956 178.561 176.600 0.008 0.000 0.989 236 E CA 1.199 57.601 56.400 0.002 0.000 0.800 236 E CB 0.007 29.703 29.700 -0.006 0.000 0.746 236 E HN 0.122 nan 8.360 nan 0.000 0.452 237 V N 0.912 120.834 119.914 0.014 0.000 2.261 237 V HA -0.277 3.847 4.120 0.008 0.000 0.246 237 V C 2.284 178.384 176.094 0.011 0.000 1.047 237 V CA 1.973 64.285 62.300 0.021 0.000 1.015 237 V CB -0.473 31.369 31.823 0.031 0.000 0.642 237 V HN 0.209 nan 8.190 nan 0.000 0.446 238 S N -0.613 115.091 115.700 0.008 0.000 2.356 238 S HA -0.258 4.217 4.470 0.008 0.000 0.223 238 S C 2.035 176.631 174.600 -0.006 0.000 1.032 238 S CA 1.892 60.093 58.200 0.001 0.000 1.005 238 S CB -0.350 62.851 63.200 0.002 0.000 0.867 238 S HN 0.589 nan 8.310 nan 0.000 0.449 239 K N 0.927 121.324 120.400 -0.004 0.000 2.147 239 K HA -0.120 4.205 4.320 0.008 0.000 0.205 239 K C 1.958 178.552 176.600 -0.010 0.000 1.049 239 K CA 1.302 57.586 56.287 -0.005 0.000 0.936 239 K CB -0.064 32.436 32.500 -0.000 0.000 0.722 239 K HN 0.122 nan 8.250 nan 0.000 0.446 240 E N 0.517 120.710 120.200 -0.013 0.000 2.274 240 E HA -0.125 4.229 4.350 0.008 0.000 0.194 240 E C 1.845 178.400 176.600 -0.076 0.000 0.996 240 E CA 0.869 57.253 56.400 -0.028 0.000 0.840 240 E CB 0.111 29.802 29.700 -0.015 0.000 0.772 240 E HN 0.251 nan 8.360 nan 0.000 0.491 241 Q N -0.118 119.638 119.800 -0.074 0.000 2.096 241 Q HA -0.198 4.146 4.340 0.008 0.000 0.204 241 Q C 2.297 178.229 176.000 -0.113 0.000 0.982 241 Q CA 1.981 57.715 55.803 -0.115 0.000 0.850 241 Q CB -0.694 28.006 28.738 -0.065 0.000 0.901 241 Q HN 0.614 nan 8.270 nan 0.000 0.422 242 M N -0.813 118.746 119.600 -0.068 0.000 2.229 242 M HA -0.081 4.404 4.480 0.008 0.000 0.264 242 M C 1.610 177.874 176.300 -0.060 0.000 1.063 242 M CA 1.341 56.608 55.300 -0.054 0.000 1.114 242 M CB -0.294 32.289 32.600 -0.029 0.000 1.387 242 M HN -0.086 nan 8.290 nan 0.000 0.420 243 Q N 1.347 121.110 119.800 -0.063 0.000 2.046 243 Q HA -0.033 4.311 4.340 0.008 0.000 0.200 243 Q C 2.214 178.125 176.000 -0.148 0.000 0.975 243 Q CA 1.443 57.207 55.803 -0.065 0.000 0.836 243 Q CB -0.625 28.089 28.738 -0.039 0.000 0.896 243 Q HN 0.539 nan 8.270 nan 0.000 0.428 244 I N 0.938 121.393 120.570 -0.191 0.000 2.208 244 I HA -0.249 3.926 4.170 0.008 0.000 0.245 244 I C 2.409 178.394 176.117 -0.221 0.000 1.097 244 I CA 1.312 62.452 61.300 -0.268 0.000 1.363 244 I CB -0.469 37.263 38.000 -0.446 0.000 1.051 244 I HN 0.118 nan 8.210 nan 0.000 0.413 245 R N -0.114 120.284 120.500 -0.171 0.000 2.081 245 R HA -0.211 4.134 4.340 0.008 0.000 0.235 245 R C 1.973 178.224 176.300 -0.082 0.000 1.131 245 R CA 1.799 57.832 56.100 -0.112 0.000 0.960 245 R CB -0.525 29.726 30.300 -0.080 0.000 0.856 245 R HN 0.369 nan 8.270 nan 0.000 0.436 246 D N 0.371 120.730 120.400 -0.068 0.000 2.117 246 D HA -0.115 4.529 4.640 0.008 0.000 0.198 246 D C 1.630 177.939 176.300 0.015 0.000 0.982 246 D CA 0.874 54.871 54.000 -0.004 0.000 0.828 246 D CB 0.107 40.941 40.800 0.056 0.000 0.967 246 D HN -0.016 nan 8.370 nan 0.000 0.464 247 I N 0.324 120.784 120.570 -0.183 0.000 2.226 247 I HA -0.197 3.977 4.170 0.008 0.000 0.245 247 I C 2.204 178.227 176.117 -0.156 0.000 1.100 247 I CA 0.960 62.045 61.300 -0.359 0.000 1.374 247 I CB -0.357 37.278 38.000 -0.609 0.000 1.057 247 I HN 0.147 nan 8.210 nan 0.000 0.413 248 L N -0.351 120.790 121.223 -0.137 0.000 2.291 248 L HA -0.108 4.237 4.340 0.008 0.000 0.214 248 L C 2.511 179.339 176.870 -0.071 0.000 1.120 248 L CA 0.933 55.716 54.840 -0.095 0.000 0.799 248 L CB -0.673 41.350 42.059 -0.060 0.000 0.925 248 L HN 0.233 nan 8.230 nan 0.000 0.446 249 A N 1.102 123.894 122.820 -0.047 0.000 1.930 249 A HA -0.071 4.254 4.320 0.008 0.000 0.215 249 A C 1.478 179.048 177.584 -0.023 0.000 1.176 249 A CA 0.773 52.794 52.037 -0.027 0.000 0.632 249 A CB -0.076 18.912 19.000 -0.020 0.000 0.819 249 A HN 0.526 nan 8.150 nan 0.000 0.445 250 R N -1.263 119.244 120.500 0.012 0.000 2.674 250 R HA 0.262 4.607 4.340 0.008 0.000 0.270 250 R C -2.433 173.935 176.300 0.113 0.000 1.492 250 R CA -1.161 54.962 56.100 0.039 0.000 1.624 250 R CB 0.324 30.640 30.300 0.027 0.000 1.307 250 R HN 0.133 nan 8.270 nan 0.000 0.683 251 P HA -0.246 nan 4.420 nan 0.000 0.216 251 P C 1.301 178.576 177.300 -0.042 0.000 1.150 251 P CA 1.946 64.912 63.100 -0.223 0.000 0.837 251 P CB 0.330 31.359 31.700 -1.118 0.000 0.786 252 A N -0.271 122.522 122.820 -0.046 0.000 1.940 252 A HA -0.205 4.119 4.320 0.008 0.000 0.219 252 A C 2.163 179.796 177.584 0.081 0.000 1.176 252 A CA 1.554 53.617 52.037 0.043 0.000 0.631 252 A CB -1.909 17.122 19.000 0.052 0.000 0.814 252 A HN 0.200 nan 8.150 nan 0.000 0.446 253 F N -0.805 119.118 119.950 -0.046 0.000 2.134 253 F HA -0.187 4.344 4.527 0.008 0.000 0.299 253 F C 2.039 177.729 175.800 -0.182 0.000 1.097 253 F CA 1.797 59.715 58.000 -0.137 0.000 1.264 253 F CB -0.303 38.556 39.000 -0.234 0.000 1.001 253 F HN 0.296 nan 8.300 nan 0.000 0.479 254 Y N 0.176 120.541 120.300 0.109 0.000 2.263 254 Y HA -0.115 4.440 4.550 0.008 0.000 0.292 254 Y C 2.271 178.167 175.900 -0.007 0.000 1.130 254 Y CA 1.363 59.486 58.100 0.039 0.000 1.179 254 Y CB -0.574 37.956 38.460 0.117 0.000 0.998 254 Y HN 0.048 nan 8.280 nan 0.000 0.532 255 L N -1.144 120.164 121.223 0.141 0.000 2.056 255 L HA -0.209 4.136 4.340 0.008 0.000 0.207 255 L C 2.270 179.167 176.870 0.046 0.000 1.078 255 L CA 1.616 56.524 54.840 0.112 0.000 0.749 255 L CB -0.837 41.294 42.059 0.119 0.000 0.901 255 L HN 0.163 nan 8.230 nan 0.000 0.433 256 T N -0.139 114.393 114.554 -0.037 0.000 2.821 256 T HA -0.130 4.225 4.350 0.008 0.000 0.267 256 T C 2.023 176.640 174.700 -0.138 0.000 1.046 256 T CA 1.195 63.245 62.100 -0.083 0.000 1.139 256 T CB -0.177 68.616 68.868 -0.125 0.000 0.871 256 T HN 0.432 nan 8.240 nan 0.000 0.454 257 A N 1.151 123.807 122.820 -0.273 0.000 1.883 257 A HA -0.127 4.198 4.320 0.008 0.000 0.217 257 A C 2.572 180.140 177.584 -0.027 0.000 1.186 257 A CA 2.253 54.135 52.037 -0.259 0.000 0.624 257 A CB -1.140 17.626 19.000 -0.390 0.000 0.822 257 A HN 0.474 nan 8.150 nan 0.000 0.444 258 S N -0.992 114.765 115.700 0.095 0.000 2.356 258 S HA -0.260 4.215 4.470 0.008 0.000 0.223 258 S C 2.254 177.037 174.600 0.306 0.000 1.032 258 S CA 1.736 60.103 58.200 0.278 0.000 1.005 258 S CB -0.444 62.951 63.200 0.325 0.000 0.867 258 S HN 0.669 nan 8.310 nan 0.000 0.449 259 Q N 0.174 120.081 119.800 0.178 0.000 2.045 259 Q HA -0.227 4.118 4.340 0.008 0.000 0.206 259 Q C 2.334 178.415 176.000 0.136 0.000 0.991 259 Q CA 2.009 57.907 55.803 0.159 0.000 0.851 259 Q CB -0.295 28.496 28.738 0.088 0.000 0.911 259 Q HN 0.713 nan 8.270 nan 0.000 0.418 260 Q N -0.254 119.574 119.800 0.047 0.000 2.119 260 Q HA -0.172 4.172 4.340 0.008 0.000 0.201 260 Q C 2.203 178.160 176.000 -0.071 0.000 0.972 260 Q CA 1.270 57.067 55.803 -0.010 0.000 0.847 260 Q CB -0.185 28.519 28.738 -0.055 0.000 0.903 260 Q HN 0.302 nan 8.270 nan 0.000 0.433 261 R N 0.039 120.475 120.500 -0.107 0.000 2.081 261 R HA -0.179 4.165 4.340 0.008 0.000 0.235 261 R C 1.595 177.482 176.300 -0.687 0.000 1.131 261 R CA 1.577 57.449 56.100 -0.381 0.000 0.960 261 R CB -0.130 29.994 30.300 -0.293 0.000 0.856 261 R HN 0.285 nan 8.270 nan 0.000 0.436 262 W N 0.967 122.137 121.300 -0.216 0.000 2.418 262 W HA -0.032 4.633 4.660 0.008 0.000 0.292 262 W C 2.254 178.783 176.519 0.016 0.000 1.213 262 W CA 0.412 57.752 57.345 -0.008 0.000 1.283 262 W CB 0.069 29.635 29.460 0.177 0.000 1.119 262 W HN 0.103 nan 8.180 nan 0.000 0.542 263 E N 0.266 120.568 120.200 0.170 0.000 2.110 263 E HA -0.237 4.117 4.350 0.008 0.000 0.193 263 E C 1.800 178.433 176.600 0.055 0.000 0.988 263 E CA 1.443 57.919 56.400 0.127 0.000 0.804 263 E CB -0.433 29.320 29.700 0.087 0.000 0.745 263 E HN 0.516 nan 8.360 nan 0.000 0.458 264 E N -0.322 119.840 120.200 -0.064 0.000 2.072 264 E HA -0.178 4.177 4.350 0.008 0.000 0.191 264 E C 1.729 178.321 176.600 -0.013 0.000 0.985 264 E CA 0.642 56.990 56.400 -0.088 0.000 0.801 264 E CB -0.041 29.542 29.700 -0.194 0.000 0.750 264 E HN 0.184 nan 8.360 nan 0.000 0.452 265 Y N 0.844 121.122 120.300 -0.037 0.000 2.128 265 Y HA -0.205 4.349 4.550 0.008 0.000 0.284 265 Y C 2.228 178.118 175.900 -0.017 0.000 1.154 265 Y CA 1.040 59.111 58.100 -0.048 0.000 1.149 265 Y CB -0.645 37.688 38.460 -0.211 0.000 0.976 265 Y HN 0.096 nan 8.280 nan 0.000 0.505 266 L N -0.539 120.798 121.223 0.190 0.000 2.056 266 L HA -0.196 4.149 4.340 0.008 0.000 0.207 266 L C 2.460 179.400 176.870 0.118 0.000 1.078 266 L CA 1.523 56.434 54.840 0.118 0.000 0.749 266 L CB -0.530 41.626 42.059 0.162 0.000 0.901 266 L HN 0.065 nan 8.230 nan 0.000 0.433 267 K N 0.978 121.447 120.400 0.116 0.000 2.026 267 K HA -0.169 4.156 4.320 0.008 0.000 0.208 267 K C 2.021 178.688 176.600 0.112 0.000 1.048 267 K CA 1.640 57.988 56.287 0.102 0.000 0.929 267 K CB -0.045 32.498 32.500 0.070 0.000 0.713 267 K HN 0.113 nan 8.250 nan 0.000 0.439 268 K N -1.231 119.239 120.400 0.116 0.000 2.103 268 K HA 0.009 4.334 4.320 0.008 0.000 0.204 268 K C 2.119 178.844 176.600 0.209 0.000 1.052 268 K CA 1.237 57.604 56.287 0.133 0.000 0.945 268 K CB -0.174 32.394 32.500 0.114 0.000 0.722 268 K HN 0.347 nan 8.250 nan 0.000 0.443 269 G N 1.107 110.041 108.800 0.224 0.000 2.426 269 G HA2 -0.057 3.908 3.960 0.008 0.000 0.214 269 G HA3 -0.057 3.908 3.960 0.008 0.000 0.214 269 G C 0.732 175.862 174.900 0.384 0.000 1.156 269 G CA 0.016 45.298 45.100 0.303 0.000 0.802 269 G HN 0.071 nan 8.290 nan 0.000 0.534 270 L N 2.972 124.336 121.223 0.235 0.000 2.399 270 L HA 0.245 4.589 4.340 0.008 0.000 0.257 270 L C 0.981 178.034 176.870 0.306 0.000 1.236 270 L CA -0.109 54.897 54.840 0.276 0.000 1.144 270 L CB 0.281 42.419 42.059 0.132 0.000 1.379 270 L HN 0.167 nan 8.230 nan 0.000 0.414 271 T N -3.695 111.053 114.554 0.323 0.000 3.174 271 T HA 0.103 4.457 4.350 0.008 0.000 0.269 271 T C 0.483 175.214 174.700 0.052 0.000 1.017 271 T CA -0.506 61.693 62.100 0.165 0.000 0.899 271 T CB -0.212 68.738 68.868 0.136 0.000 1.077 271 T HN 0.235 nan 8.240 nan 0.000 0.552 272 N N 3.023 121.718 118.700 -0.008 0.000 2.546 272 N HA 0.312 5.056 4.740 0.008 0.000 0.238 272 N C -1.508 173.964 175.510 -0.063 0.000 0.984 272 N CA -2.468 50.463 53.050 -0.199 0.000 0.935 272 N CB 1.834 39.928 38.487 -0.655 0.000 1.122 272 N HN 0.038 nan 8.380 nan 0.000 0.510 273 P HA 0.003 nan 4.420 nan 0.000 0.230 273 P C -0.148 177.151 177.300 -0.001 0.000 1.158 273 P CA 0.735 63.843 63.100 0.012 0.000 0.769 273 P CB 0.629 32.336 31.700 0.012 0.000 0.807 274 D N 0.040 120.418 120.400 -0.037 0.000 2.348 274 D HA 0.107 4.751 4.640 0.008 0.000 0.211 274 D C 1.060 177.343 176.300 -0.027 0.000 0.998 274 D CA 0.216 54.197 54.000 -0.032 0.000 0.873 274 D CB -0.111 40.661 40.800 -0.046 0.000 0.925 274 D HN 0.148 nan 8.370 nan 0.000 0.524 275 A N 1.108 123.911 122.820 -0.028 0.000 2.407 275 A HA 0.379 4.704 4.320 0.008 0.000 0.248 275 A C 0.973 178.587 177.584 0.051 0.000 1.082 275 A CA -0.262 51.786 52.037 0.019 0.000 0.785 275 A CB 0.159 19.231 19.000 0.121 0.000 1.020 275 A HN 0.167 nan 8.150 nan 0.000 0.489 276 T N 0.074 114.630 114.554 0.003 0.000 2.816 276 T HA 0.406 4.760 4.350 0.008 0.000 0.282 276 T C -1.963 172.783 174.700 0.076 0.000 0.993 276 T CA -1.258 60.851 62.100 0.014 0.000 0.994 276 T CB 0.618 69.462 68.868 -0.040 0.000 1.025 276 T HN 0.308 nan 8.240 nan 0.000 0.529 277 P HA -0.057 nan 4.420 nan 0.000 0.216 277 P C 1.242 178.632 177.300 0.150 0.000 1.150 277 P CA 0.985 64.158 63.100 0.121 0.000 0.837 277 P CB 0.043 31.793 31.700 0.084 0.000 0.786 278 E N -0.497 119.785 120.200 0.137 0.000 2.072 278 E HA -0.179 4.175 4.350 0.008 0.000 0.191 278 E C 2.107 178.867 176.600 0.267 0.000 0.985 278 E CA 1.236 57.761 56.400 0.207 0.000 0.801 278 E CB -0.875 28.982 29.700 0.262 0.000 0.750 278 E HN 0.392 nan 8.360 nan 0.000 0.452 279 Q N -0.300 119.570 119.800 0.117 0.000 2.119 279 Q HA -0.058 4.286 4.340 0.008 0.000 0.201 279 Q C 2.009 178.153 176.000 0.239 0.000 0.972 279 Q CA 1.620 57.462 55.803 0.065 0.000 0.847 279 Q CB -0.064 28.542 28.738 -0.221 0.000 0.903 279 Q HN 0.233 nan 8.270 nan 0.000 0.433 280 T N 0.589 115.266 114.554 0.205 0.000 2.821 280 T HA -0.157 4.198 4.350 0.008 0.000 0.267 280 T C 1.665 176.337 174.700 -0.047 0.000 1.046 280 T CA 1.188 63.327 62.100 0.065 0.000 1.139 280 T CB -0.136 68.849 68.868 0.195 0.000 0.871 280 T HN 0.245 nan 8.240 nan 0.000 0.454 281 R N 0.665 121.234 120.500 0.114 0.000 2.096 281 R HA -0.055 4.289 4.340 0.008 0.000 0.235 281 R C 2.216 178.543 176.300 0.046 0.000 1.127 281 R CA 0.960 57.125 56.100 0.107 0.000 0.968 281 R CB -0.411 30.008 30.300 0.199 0.000 0.861 281 R HN 0.223 nan 8.270 nan 0.000 0.440 282 V N 0.951 120.935 119.914 0.117 0.000 2.407 282 V HA -0.208 3.916 4.120 0.008 0.000 0.248 282 V C 2.448 178.589 176.094 0.079 0.000 1.055 282 V CA 1.854 64.248 62.300 0.157 0.000 1.049 282 V CB -0.645 31.372 31.823 0.324 0.000 0.662 282 V HN 0.539 nan 8.190 nan 0.000 0.455 283 A N -0.178 122.605 122.820 -0.063 0.000 1.902 283 A HA -0.159 4.165 4.320 0.008 0.000 0.217 283 A C 2.379 179.840 177.584 -0.206 0.000 1.181 283 A CA 2.070 53.985 52.037 -0.204 0.000 0.623 283 A CB -0.646 17.813 19.000 -0.901 0.000 0.818 283 A HN 0.347 nan 8.150 nan 0.000 0.443 284 V N 0.252 119.993 119.914 -0.289 0.000 2.427 284 V HA -0.250 3.875 4.120 0.008 0.000 0.248 284 V C 2.513 178.525 176.094 -0.137 0.000 1.051 284 V CA 2.293 64.404 62.300 -0.315 0.000 1.048 284 V CB -0.643 30.841 31.823 -0.565 0.000 0.666 284 V HN 0.701 nan 8.190 nan 0.000 0.456 285 K N 0.458 120.826 120.400 -0.053 0.000 2.057 285 K HA -0.183 4.141 4.320 0.008 0.000 0.207 285 K C 2.183 178.799 176.600 0.027 0.000 1.049 285 K CA 1.568 57.867 56.287 0.022 0.000 0.931 285 K CB -0.308 32.230 32.500 0.063 0.000 0.714 285 K HN 0.423 nan 8.250 nan 0.000 0.440 286 A N 1.001 123.831 122.820 0.018 0.000 1.902 286 A HA -0.140 4.185 4.320 0.008 0.000 0.217 286 A C 1.963 179.502 177.584 -0.074 0.000 1.181 286 A CA 1.405 53.460 52.037 0.030 0.000 0.623 286 A CB -0.455 18.613 19.000 0.113 0.000 0.818 286 A HN 0.282 nan 8.150 nan 0.000 0.443 287 I N 0.249 120.659 120.570 -0.268 0.000 2.226 287 I HA -0.201 3.974 4.170 0.008 0.000 0.245 287 I C 2.355 178.422 176.117 -0.082 0.000 1.100 287 I CA 1.481 62.465 61.300 -0.527 0.000 1.374 287 I CB -0.706 36.803 38.000 -0.818 0.000 1.057 287 I HN 0.402 nan 8.210 nan 0.000 0.413 288 E N -0.259 119.989 120.200 0.081 0.000 2.077 288 E HA -0.196 4.159 4.350 0.008 0.000 0.193 288 E C 2.135 178.866 176.600 0.218 0.000 0.989 288 E CA 1.877 58.435 56.400 0.262 0.000 0.800 288 E CB -0.205 29.598 29.700 0.171 0.000 0.746 288 E HN 0.485 nan 8.360 nan 0.000 0.452 289 T N 1.620 116.250 114.554 0.125 0.000 2.674 289 T HA -0.128 4.227 4.350 0.008 0.000 0.265 289 T C 2.030 176.782 174.700 0.086 0.000 1.039 289 T CA 0.851 63.014 62.100 0.104 0.000 1.150 289 T CB -0.264 68.647 68.868 0.072 0.000 0.864 289 T HN 0.066 nan 8.240 nan 0.000 0.427 290 L N 1.154 122.424 121.223 0.078 0.000 2.042 290 L HA -0.125 4.220 4.340 0.008 0.000 0.210 290 L C 2.550 179.485 176.870 0.108 0.000 1.076 290 L CA 1.054 55.938 54.840 0.072 0.000 0.749 290 L CB -0.577 41.560 42.059 0.129 0.000 0.893 290 L HN 0.192 nan 8.230 nan 0.000 0.432 291 N N 0.137 118.933 118.700 0.160 0.000 2.309 291 N HA -0.107 4.638 4.740 0.008 0.000 0.182 291 N C 1.786 177.467 175.510 0.285 0.000 1.018 291 N CA 1.340 54.546 53.050 0.260 0.000 0.876 291 N CB -0.406 38.197 38.487 0.193 0.000 0.972 291 N HN 0.357 nan 8.380 nan 0.000 0.434 292 G N 0.232 109.154 108.800 0.204 0.000 2.511 292 G HA2 -0.141 3.823 3.960 0.008 0.000 0.217 292 G HA3 -0.141 3.823 3.960 0.008 0.000 0.217 292 G C 1.326 176.173 174.900 -0.087 0.000 1.133 292 G CA 0.219 45.379 45.100 0.099 0.000 0.792 292 G HN 0.256 nan 8.290 nan 0.000 0.539 293 N N -0.512 118.167 118.700 -0.036 0.000 2.398 293 N HA 0.048 4.793 4.740 0.008 0.000 0.188 293 N C -0.027 175.456 175.510 -0.045 0.000 1.122 293 N CA -0.357 52.625 53.050 -0.112 0.000 0.866 293 N CB 0.089 38.526 38.487 -0.082 0.000 0.970 293 N HN 0.517 nan 8.380 nan 0.000 0.462 294 W N 3.162 124.351 121.300 -0.185 0.000 2.304 294 W HA 0.332 4.997 4.660 0.008 0.000 0.313 294 W C -0.504 175.889 176.519 -0.209 0.000 1.323 294 W CA -0.817 56.433 57.345 -0.159 0.000 1.223 294 W CB 0.454 29.841 29.460 -0.121 0.000 1.237 294 W HN -0.232 nan 8.180 nan 0.000 0.535 295 R N 4.684 125.240 120.500 0.094 0.000 2.599 295 R HA 0.346 4.690 4.340 0.008 0.000 0.295 295 R C 0.124 176.540 176.300 0.193 0.000 0.963 295 R CA -0.670 55.325 56.100 -0.175 0.000 0.883 295 R CB 1.647 31.762 30.300 -0.308 0.000 1.171 295 R HN 0.710 nan 8.270 nan 0.000 0.450 296 S N 2.070 117.898 115.700 0.213 0.000 2.634 296 S HA 0.404 4.879 4.470 0.008 0.000 0.261 296 S C -2.331 172.551 174.600 0.469 0.000 1.271 296 S CA -1.230 57.202 58.200 0.385 0.000 0.985 296 S CB 0.383 63.777 63.200 0.324 0.000 0.968 296 S HN 0.257 nan 8.310 nan 0.000 0.568 297 P HA 0.341 nan 4.420 nan 0.000 0.265 297 P C -0.164 177.175 177.300 0.065 0.000 1.187 297 P CA 0.513 63.712 63.100 0.164 0.000 0.766 297 P CB 0.179 31.900 31.700 0.034 0.000 0.820 298 G N 1.119 109.845 108.800 -0.123 0.000 2.761 298 G HA2 0.524 4.489 3.960 0.008 0.000 0.296 298 G HA3 0.524 4.489 3.960 0.008 0.000 0.296 298 G C -0.031 174.073 174.900 -1.326 0.000 1.416 298 G CA 0.166 44.804 45.100 -0.770 0.000 1.105 298 G HN 0.788 nan 8.290 nan 0.000 0.565 299 G N 1.186 108.681 108.800 -2.176 0.000 2.583 299 G HA2 0.084 4.048 3.960 0.008 0.000 0.292 299 G HA3 0.084 4.048 3.960 0.008 0.000 0.292 299 G C 1.673 176.183 174.900 -0.650 0.000 1.203 299 G CA 1.718 45.738 45.100 -1.799 0.000 0.987 299 G HN 2.128 nan 8.290 nan 0.000 0.554 300 A N -0.853 121.753 122.820 -0.356 0.000 2.121 300 A HA 0.445 4.769 4.320 0.008 0.000 0.218 300 A C 1.388 179.143 177.584 0.285 0.000 1.154 300 A CA 2.000 54.044 52.037 0.011 0.000 0.679 300 A CB -0.165 18.780 19.000 -0.092 0.000 0.795 300 A HN 1.477 nan 8.150 nan 0.000 0.458 301 V N 1.842 121.843 119.914 0.146 0.000 2.353 301 V HA 0.123 4.248 4.120 0.008 0.000 0.264 301 V C 0.443 176.635 176.094 0.162 0.000 1.049 301 V CA -0.345 62.126 62.300 0.286 0.000 0.896 301 V CB 0.974 32.934 31.823 0.229 0.000 1.025 301 V HN 0.264 nan 8.190 nan 0.000 0.475 302 K N 3.901 124.407 120.400 0.176 0.000 2.476 302 K HA 0.293 4.617 4.320 0.008 0.000 0.196 302 K C -0.387 175.988 176.600 -0.376 0.000 1.025 302 K CA 0.336 56.544 56.287 -0.133 0.000 1.138 302 K CB -0.107 32.236 32.500 -0.262 0.000 0.860 302 K HN 0.497 nan 8.250 nan 0.000 0.515 303 F N 0.131 120.155 119.950 0.123 0.000 2.620 303 F HA 0.304 4.835 4.527 0.007 0.000 0.320 303 F C 0.784 176.681 175.800 0.162 0.000 1.069 303 F CA -1.154 56.922 58.000 0.127 0.000 0.953 303 F CB 0.868 39.941 39.000 0.121 0.000 1.322 303 F HN -0.208 nan 8.300 nan 0.000 0.479 304 N N 0.741 119.666 118.700 0.376 0.000 2.479 304 N HA 0.228 4.972 4.740 0.008 0.000 0.257 304 N C -0.362 175.314 175.510 0.276 0.000 1.232 304 N CA 0.551 53.814 53.050 0.356 0.000 0.920 304 N CB 1.409 40.094 38.487 0.330 0.000 1.105 304 N HN 0.618 nan 8.380 nan 0.000 0.444 305 T N -0.180 114.537 114.554 0.272 0.000 2.754 305 T HA 0.528 4.883 4.350 0.008 0.000 0.296 305 T C -1.568 173.214 174.700 0.137 0.000 1.205 305 T CA -0.513 61.680 62.100 0.155 0.000 1.009 305 T CB 1.109 70.061 68.868 0.140 0.000 1.368 305 T HN 0.044 nan 8.240 nan 0.000 0.509 306 V N 2.559 122.503 119.914 0.051 0.000 2.577 306 V HA 0.613 4.737 4.120 0.008 0.000 0.303 306 V C 0.460 176.555 176.094 0.001 0.000 1.042 306 V CA -0.744 61.570 62.300 0.024 0.000 0.872 306 V CB 1.592 33.399 31.823 -0.027 0.000 0.998 306 V HN 1.140 nan 8.190 nan 0.000 0.423 307 T N 2.121 116.667 114.554 -0.013 0.000 2.912 307 T HA 0.485 4.839 4.350 0.008 0.000 0.280 307 T C -2.027 172.623 174.700 -0.084 0.000 0.989 307 T CA -2.079 60.035 62.100 0.024 0.000 0.995 307 T CB 2.058 70.962 68.868 0.060 0.000 1.077 307 T HN 0.382 nan 8.240 nan 0.000 0.531 308 P HA 0.119 nan 4.420 nan 0.000 0.222 308 P C 0.093 177.241 177.300 -0.254 0.000 1.147 308 P CA 0.664 63.474 63.100 -0.483 0.000 0.790 308 P CB 0.246 31.314 31.700 -1.053 0.000 0.780 309 S N -2.217 113.473 115.700 -0.017 0.000 2.581 309 S HA 0.105 4.580 4.470 0.008 0.000 0.306 309 S C 0.257 174.864 174.600 0.011 0.000 1.080 309 S CA -0.625 57.602 58.200 0.045 0.000 0.925 309 S CB 0.451 63.761 63.200 0.184 0.000 1.128 309 S HN -0.200 nan 8.310 nan 0.000 0.451 310 V N 4.957 124.795 119.914 -0.128 0.000 2.720 310 V HA -0.020 4.105 4.120 0.008 0.000 0.256 310 V C 2.054 178.045 176.094 -0.171 0.000 1.082 310 V CA 2.815 64.937 62.300 -0.295 0.000 1.101 310 V CB -0.483 30.933 31.823 -0.679 0.000 0.693 310 V HN 1.058 nan 8.190 nan 0.000 0.479 311 T N -2.462 112.068 114.554 -0.041 0.000 3.086 311 T HA 0.295 4.649 4.350 0.008 0.000 0.250 311 T C 0.999 175.716 174.700 0.027 0.000 1.074 311 T CA 0.363 62.478 62.100 0.024 0.000 0.988 311 T CB -0.063 68.860 68.868 0.092 0.000 0.988 311 T HN 0.564 nan 8.240 nan 0.000 0.530 312 G N 1.400 110.223 108.800 0.039 0.000 2.441 312 G HA2 0.329 4.294 3.960 0.008 0.000 0.243 312 G HA3 0.329 4.294 3.960 0.008 0.000 0.243 312 G C 0.792 175.667 174.900 -0.041 0.000 1.281 312 G CA -0.684 44.447 45.100 0.051 0.000 0.854 312 G HN 0.216 nan 8.290 nan 0.000 0.560 313 R N 1.156 121.570 120.500 -0.143 0.000 2.105 313 R HA -0.076 4.269 4.340 0.008 0.000 0.239 313 R C 1.082 176.937 176.300 -0.743 0.000 1.135 313 R CA 1.703 57.393 56.100 -0.682 0.000 0.967 313 R CB -0.220 29.405 30.300 -1.125 0.000 0.861 313 R HN 0.749 nan 8.270 nan 0.000 0.442 314 W N -2.216 118.977 121.300 -0.178 0.000 2.684 314 W HA 0.308 4.972 4.660 0.008 0.000 0.381 314 W C -0.100 176.529 176.519 0.182 0.000 0.975 314 W CA -0.754 56.579 57.345 -0.021 0.000 1.789 314 W CB 0.598 29.992 29.460 -0.111 0.000 1.161 314 W HN -0.101 nan 8.180 nan 0.000 0.564 315 F N -0.807 119.318 119.950 0.291 0.000 2.688 315 F HA 0.323 4.855 4.527 0.009 0.000 0.310 315 F C 1.416 177.297 175.800 0.136 0.000 1.098 315 F CA -0.805 57.347 58.000 0.252 0.000 1.228 315 F CB -0.519 38.529 39.000 0.081 0.000 1.042 315 F HN -0.327 nan 8.300 nan 0.000 0.557 316 S N -0.745 115.074 115.700 0.199 0.000 2.552 316 S HA 0.638 5.113 4.470 0.008 0.000 0.271 316 S C 1.135 175.707 174.600 -0.047 0.000 1.168 316 S CA 0.394 58.602 58.200 0.012 0.000 1.026 316 S CB 0.301 63.478 63.200 -0.039 0.000 1.120 316 S HN 0.611 nan 8.310 nan 0.000 0.514 317 G N 1.866 110.586 108.800 -0.134 0.000 2.574 317 G HA2 -0.295 3.669 3.960 0.008 0.000 0.286 317 G HA3 -0.295 3.669 3.960 0.008 0.000 0.286 317 G C -0.062 174.749 174.900 -0.148 0.000 1.212 317 G CA 0.582 45.643 45.100 -0.064 0.000 0.979 317 G HN 1.227 nan 8.290 nan 0.000 0.557 318 N N 0.662 119.446 118.700 0.141 0.000 2.401 318 N HA 0.163 4.907 4.740 0.008 0.000 0.264 318 N C 0.289 175.856 175.510 0.095 0.000 1.238 318 N CA 0.157 53.283 53.050 0.127 0.000 0.889 318 N CB 0.259 38.980 38.487 0.389 0.000 1.196 318 N HN 0.822 nan 8.380 nan 0.000 0.511 319 Q N 0.593 120.430 119.800 0.062 0.000 2.255 319 Q HA 0.154 4.498 4.340 0.008 0.000 0.280 319 Q C -0.533 175.447 176.000 -0.033 0.000 1.068 319 Q CA 0.713 56.477 55.803 -0.065 0.000 0.911 319 Q CB 0.435 29.180 28.738 0.012 0.000 1.157 319 Q HN 0.203 nan 8.270 nan 0.000 0.380 320 T N 2.813 117.205 114.554 -0.271 0.000 2.861 320 T HA 0.452 4.807 4.350 0.008 0.000 0.287 320 T C -0.893 173.637 174.700 -0.283 0.000 1.003 320 T CA -0.746 61.289 62.100 -0.108 0.000 0.977 320 T CB 1.055 69.855 68.868 -0.113 0.000 0.996 320 T HN 0.420 nan 8.240 nan 0.000 0.448 321 W N 2.168 123.358 121.300 -0.184 0.000 2.689 321 W HA 0.286 4.950 4.660 0.007 0.000 0.340 321 W C -2.191 174.140 176.519 -0.314 0.000 1.060 321 W CA -2.339 54.897 57.345 -0.182 0.000 1.218 321 W CB 1.883 31.318 29.460 -0.043 0.000 1.410 321 W HN 0.486 nan 8.180 nan 0.000 0.528 322 P HA -0.188 nan 4.420 nan 0.000 0.214 322 P C 1.808 178.577 177.300 -0.885 0.000 1.162 322 P CA 1.908 64.587 63.100 -0.702 0.000 0.879 322 P CB 0.200 31.712 31.700 -0.312 0.000 0.786 323 W N 1.138 122.206 121.300 -0.387 0.000 2.301 323 W HA -0.294 4.371 4.660 0.007 0.000 0.325 323 W C 1.405 177.854 176.519 -0.116 0.000 1.250 323 W CA 1.634 58.893 57.345 -0.143 0.000 1.261 323 W CB -0.487 28.998 29.460 0.042 0.000 1.157 323 W HN -0.040 nan 8.180 nan 0.000 0.473 324 D N -0.643 119.833 120.400 0.125 0.000 2.117 324 D HA -0.192 4.453 4.640 0.008 0.000 0.197 324 D C 2.106 178.386 176.300 -0.033 0.000 0.987 324 D CA 2.374 56.426 54.000 0.087 0.000 0.829 324 D CB -0.816 40.041 40.800 0.095 0.000 0.961 324 D HN 0.025 nan 8.370 nan 0.000 0.460 325 T N -0.363 114.083 114.554 -0.180 0.000 2.746 325 T HA -0.165 4.190 4.350 0.008 0.000 0.267 325 T C 1.611 176.352 174.700 0.067 0.000 1.039 325 T CA 1.100 63.088 62.100 -0.187 0.000 1.142 325 T CB -0.497 68.111 68.868 -0.434 0.000 0.866 325 T HN 0.384 nan 8.240 nan 0.000 0.444 326 W N 1.586 123.028 121.300 0.237 0.000 2.335 326 W HA -0.086 4.579 4.660 0.008 0.000 0.311 326 W C 2.495 179.229 176.519 0.359 0.000 1.213 326 W CA 0.292 57.846 57.345 0.349 0.000 1.274 326 W CB -0.191 29.566 29.460 0.496 0.000 1.148 326 W HN 0.207 nan 8.180 nan 0.000 0.498 327 K N 0.619 121.290 120.400 0.452 0.000 2.057 327 K HA -0.167 4.158 4.320 0.008 0.000 0.206 327 K C 1.977 178.632 176.600 0.092 0.000 1.050 327 K CA 1.487 57.939 56.287 0.274 0.000 0.935 327 K CB -0.484 32.050 32.500 0.057 0.000 0.715 327 K HN 0.236 nan 8.250 nan 0.000 0.439 328 Q N 0.453 120.288 119.800 0.059 0.000 2.061 328 Q HA -0.146 4.198 4.340 0.008 0.000 0.204 328 Q C 2.230 178.196 176.000 -0.057 0.000 0.984 328 Q CA 1.768 57.558 55.803 -0.023 0.000 0.846 328 Q CB -0.234 28.475 28.738 -0.049 0.000 0.902 328 Q HN 0.376 nan 8.270 nan 0.000 0.421 329 A N 0.048 122.872 122.820 0.007 0.000 1.969 329 A HA -0.162 4.162 4.320 0.008 0.000 0.218 329 A C 1.836 179.357 177.584 -0.105 0.000 1.169 329 A CA 0.826 52.828 52.037 -0.059 0.000 0.635 329 A CB -0.692 18.351 19.000 0.072 0.000 0.810 329 A HN 0.451 nan 8.150 nan 0.000 0.445 330 F N 0.892 120.726 119.950 -0.194 0.000 2.102 330 F HA -0.108 4.423 4.527 0.007 0.000 0.298 330 F C 2.498 178.190 175.800 -0.181 0.000 1.105 330 F CA 1.507 59.308 58.000 -0.332 0.000 1.239 330 F CB -0.236 38.388 39.000 -0.625 0.000 0.991 330 F HN 0.252 nan 8.300 nan 0.000 0.474 331 A N 0.169 123.023 122.820 0.057 0.000 1.872 331 A HA -0.131 4.193 4.320 0.008 0.000 0.214 331 A C 2.221 179.668 177.584 -0.230 0.000 1.187 331 A CA 1.543 53.621 52.037 0.069 0.000 0.614 331 A CB -0.765 18.283 19.000 0.079 0.000 0.826 331 A HN 0.464 nan 8.150 nan 0.000 0.442 332 M N -0.210 119.102 119.600 -0.480 0.000 2.446 332 M HA -0.112 4.372 4.480 0.008 0.000 0.263 332 M C 2.289 178.067 176.300 -0.871 0.000 1.066 332 M CA 0.935 55.608 55.300 -1.044 0.000 1.087 332 M CB -0.359 31.750 32.600 -0.819 0.000 1.406 332 M HN 0.500 nan 8.290 nan 0.000 0.459 333 A N -0.414 122.052 122.820 -0.590 0.000 2.024 333 A HA -0.191 4.134 4.320 0.008 0.000 0.220 333 A C 1.410 178.618 177.584 -0.626 0.000 1.164 333 A CA 1.612 53.279 52.037 -0.616 0.000 0.643 333 A CB -0.984 17.617 19.000 -0.665 0.000 0.806 333 A HN 0.542 nan 8.150 nan 0.000 0.451 334 H N -2.383 116.460 119.070 -0.378 0.000 2.547 334 H HA 0.223 4.784 4.556 0.008 0.000 0.266 334 H C 0.971 176.276 175.328 -0.039 0.000 0.988 334 H CA 1.341 57.304 56.048 -0.141 0.000 1.147 334 H CB 0.049 29.881 29.762 0.116 0.000 1.365 334 H HN 0.805 nan 8.280 nan 0.000 0.589 335 F N -4.118 115.713 119.950 -0.197 0.000 2.801 335 F HA 0.315 4.847 4.527 0.007 0.000 0.381 335 F C -0.018 175.700 175.800 -0.137 0.000 0.861 335 F CA -0.620 57.284 58.000 -0.161 0.000 1.039 335 F CB 0.600 39.455 39.000 -0.242 0.000 1.041 335 F HN -0.169 nan 8.300 nan 0.000 0.596 336 N N 2.839 121.099 118.700 -0.732 0.000 2.703 336 N HA 0.335 5.079 4.740 0.008 0.000 0.283 336 N C -2.089 173.074 175.510 -0.579 0.000 1.851 336 N CA -2.273 50.464 53.050 -0.522 0.000 0.826 336 N CB 0.771 38.814 38.487 -0.740 0.000 1.239 336 N HN 0.017 nan 8.380 nan 0.000 0.495 337 P HA -0.092 nan 4.420 nan 0.000 0.218 337 P C 0.462 177.491 177.300 -0.453 0.000 1.148 337 P CA 1.038 63.853 63.100 -0.476 0.000 0.822 337 P CB 0.633 32.083 31.700 -0.418 0.000 0.784 338 D N 0.002 120.179 120.400 -0.372 0.000 2.117 338 D HA -0.111 4.534 4.640 0.008 0.000 0.197 338 D C 1.970 178.052 176.300 -0.364 0.000 0.987 338 D CA 0.970 54.778 54.000 -0.320 0.000 0.829 338 D CB -0.301 40.360 40.800 -0.232 0.000 0.961 338 D HN 0.156 nan 8.370 nan 0.000 0.460 339 I N 0.913 121.184 120.570 -0.497 0.000 2.617 339 I HA -0.033 4.142 4.170 0.008 0.000 0.256 339 I C 2.394 178.255 176.117 -0.427 0.000 1.167 339 I CA 0.227 61.183 61.300 -0.574 0.000 1.469 339 I CB -1.226 36.160 38.000 -1.024 0.000 1.098 339 I HN -0.155 nan 8.210 nan 0.000 0.436 340 A N 1.272 123.823 122.820 -0.448 0.000 1.877 340 A HA -0.207 4.118 4.320 0.008 0.000 0.216 340 A C 2.374 179.799 177.584 -0.264 0.000 1.186 340 A CA 1.484 53.308 52.037 -0.356 0.000 0.620 340 A CB -0.426 18.315 19.000 -0.430 0.000 0.822 340 A HN 0.314 nan 8.150 nan 0.000 0.443 341 K N -0.503 119.656 120.400 -0.402 0.000 2.026 341 K HA -0.132 4.193 4.320 0.008 0.000 0.208 341 K C 2.020 178.586 176.600 -0.057 0.000 1.048 341 K CA 1.358 57.388 56.287 -0.428 0.000 0.929 341 K CB -0.159 31.903 32.500 -0.729 0.000 0.713 341 K HN 0.420 nan 8.250 nan 0.000 0.439 342 E N 0.924 121.075 120.200 -0.080 0.000 2.077 342 E HA -0.202 4.153 4.350 0.008 0.000 0.193 342 E C 1.838 178.466 176.600 0.046 0.000 0.989 342 E CA 0.972 57.395 56.400 0.039 0.000 0.800 342 E CB -0.336 29.395 29.700 0.052 0.000 0.746 342 E HN 0.239 nan 8.360 nan 0.000 0.452 343 N N 1.245 119.943 118.700 -0.004 0.000 2.104 343 N HA -0.138 4.607 4.740 0.008 0.000 0.190 343 N C 1.880 177.430 175.510 0.067 0.000 1.024 343 N CA 1.008 54.067 53.050 0.015 0.000 0.853 343 N CB -0.302 38.161 38.487 -0.040 0.000 1.008 343 N HN 0.152 nan 8.380 nan 0.000 0.424 344 I N 0.243 120.917 120.570 0.175 0.000 2.252 344 I HA -0.199 3.976 4.170 0.008 0.000 0.245 344 I C 2.376 178.680 176.117 0.312 0.000 1.102 344 I CA 0.794 62.327 61.300 0.388 0.000 1.385 344 I CB -0.167 38.194 38.000 0.601 0.000 1.064 344 I HN 0.140 nan 8.210 nan 0.000 0.414 345 R N 0.716 121.286 120.500 0.117 0.000 2.096 345 R HA -0.139 4.206 4.340 0.008 0.000 0.235 345 R C 2.458 178.523 176.300 -0.391 0.000 1.127 345 R CA 1.414 57.377 56.100 -0.228 0.000 0.968 345 R CB -0.474 29.472 30.300 -0.589 0.000 0.861 345 R HN 0.365 nan 8.270 nan 0.000 0.440 346 A N 0.768 123.479 122.820 -0.182 0.000 1.883 346 A HA -0.140 4.185 4.320 0.008 0.000 0.217 346 A C 2.369 179.970 177.584 0.028 0.000 1.186 346 A CA 1.572 53.626 52.037 0.027 0.000 0.624 346 A CB -0.623 18.461 19.000 0.140 0.000 0.822 346 A HN 0.120 nan 8.150 nan 0.000 0.444 347 V N -1.521 118.354 119.914 -0.065 0.000 2.343 347 V HA -0.223 3.902 4.120 0.008 0.000 0.247 347 V C 2.220 178.175 176.094 -0.232 0.000 1.051 347 V CA 1.971 64.139 62.300 -0.220 0.000 1.036 347 V CB -0.917 30.655 31.823 -0.419 0.000 0.654 347 V HN 0.554 nan 8.190 nan 0.000 0.451 348 F N 1.029 120.947 119.950 -0.053 0.000 2.661 348 F HA -0.058 4.474 4.527 0.008 0.000 0.298 348 F C 2.587 178.324 175.800 -0.105 0.000 1.137 348 F CA 0.985 58.931 58.000 -0.090 0.000 1.454 348 F CB -0.610 38.335 39.000 -0.091 0.000 1.103 348 F HN 0.251 nan 8.300 nan 0.000 0.577 349 S N -1.690 114.035 115.700 0.042 0.000 2.447 349 S HA -0.222 4.253 4.470 0.008 0.000 0.233 349 S C 1.166 175.651 174.600 -0.192 0.000 1.006 349 S CA 0.673 58.857 58.200 -0.026 0.000 0.957 349 S CB -0.691 62.590 63.200 0.136 0.000 0.773 349 S HN 0.501 nan 8.310 nan 0.000 0.507 350 W N 2.145 123.482 121.300 0.062 0.000 2.926 350 W HA 0.471 5.136 4.660 0.008 0.000 0.419 350 W C 0.533 177.068 176.519 0.027 0.000 0.993 350 W CA -0.954 56.451 57.345 0.099 0.000 2.025 350 W CB 0.018 29.590 29.460 0.187 0.000 1.152 350 W HN 0.306 nan 8.180 nan 0.000 0.659 351 Q N 1.370 121.223 119.800 0.089 0.000 2.364 351 Q HA 0.150 4.494 4.340 0.008 0.000 0.267 351 Q C 0.338 176.389 176.000 0.086 0.000 0.999 351 Q CA -0.001 55.819 55.803 0.028 0.000 0.886 351 Q CB 0.726 29.515 28.738 0.085 0.000 1.243 351 Q HN 0.156 nan 8.270 nan 0.000 0.415 352 I N 4.249 124.883 120.570 0.106 0.000 2.618 352 I HA -0.047 4.128 4.170 0.008 0.000 0.284 352 I C 0.338 176.513 176.117 0.097 0.000 1.146 352 I CA 0.009 61.390 61.300 0.135 0.000 1.425 352 I CB 0.401 38.499 38.000 0.163 0.000 1.383 352 I HN 0.581 nan 8.210 nan 0.000 0.562 353 Q N 6.967 126.814 119.800 0.078 0.000 2.248 353 Q HA 0.485 4.829 4.340 0.008 0.000 0.263 353 Q C -2.317 173.718 176.000 0.059 0.000 1.007 353 Q CA -2.180 53.657 55.803 0.056 0.000 0.877 353 Q CB 0.981 29.734 28.738 0.026 0.000 1.315 353 Q HN 0.303 nan 8.270 nan 0.000 0.454 354 P HA 0.049 nan 4.420 nan 0.000 0.265 354 P C 0.405 177.729 177.300 0.039 0.000 1.193 354 P CA 1.033 64.162 63.100 0.048 0.000 0.765 354 P CB 0.291 32.015 31.700 0.040 0.000 0.823 355 G N 1.775 110.598 108.800 0.039 0.000 2.148 355 G HA2 -0.267 3.698 3.960 0.008 0.000 0.254 355 G HA3 -0.267 3.698 3.960 0.008 0.000 0.254 355 G C 0.114 175.036 174.900 0.036 0.000 0.981 355 G CA 0.070 45.189 45.100 0.032 0.000 0.670 355 G HN 0.667 nan 8.290 nan 0.000 0.528 356 D N 0.321 120.750 120.400 0.049 0.000 2.525 356 D HA 0.362 5.006 4.640 0.008 0.000 0.235 356 D C 1.940 178.270 176.300 0.050 0.000 1.137 356 D CA 1.073 55.109 54.000 0.060 0.000 0.868 356 D CB 0.605 41.455 40.800 0.082 0.000 1.180 356 D HN 0.417 nan 8.370 nan 0.000 0.465 357 S N 1.708 117.438 115.700 0.050 0.000 2.447 357 S HA -0.119 4.356 4.470 0.008 0.000 0.233 357 S C 1.500 176.119 174.600 0.033 0.000 1.006 357 S CA 0.847 59.069 58.200 0.036 0.000 0.957 357 S CB 0.062 63.280 63.200 0.031 0.000 0.773 357 S HN 0.371 nan 8.310 nan 0.000 0.507 358 V N 1.603 121.544 119.914 0.044 0.000 2.806 358 V HA 0.246 4.371 4.120 0.008 0.000 0.239 358 V C 1.210 177.321 176.094 0.028 0.000 1.113 358 V CA 0.836 63.156 62.300 0.034 0.000 1.137 358 V CB -0.327 31.521 31.823 0.041 0.000 0.865 358 V HN 0.653 nan 8.190 nan 0.000 0.482 359 R N 0.973 121.495 120.500 0.036 0.000 2.644 359 R HA 0.315 4.659 4.340 0.008 0.000 0.271 359 R C -2.458 173.864 176.300 0.037 0.000 1.687 359 R CA -1.323 54.788 56.100 0.018 0.000 1.655 359 R CB 0.534 30.817 30.300 -0.028 0.000 1.285 359 R HN 0.204 nan 8.270 nan 0.000 0.643 360 P HA -0.217 nan 4.420 nan 0.000 0.228 360 P C 0.681 178.016 177.300 0.058 0.000 1.151 360 P CA 1.044 64.173 63.100 0.049 0.000 0.770 360 P CB 0.405 32.127 31.700 0.037 0.000 0.786 361 Q N -0.681 119.149 119.800 0.049 0.000 2.403 361 Q HA -0.000 4.344 4.340 0.008 0.000 0.203 361 Q C 0.079 176.149 176.000 0.117 0.000 0.932 361 Q CA 0.851 56.688 55.803 0.057 0.000 0.945 361 Q CB -0.467 28.284 28.738 0.022 0.000 1.045 361 Q HN 0.176 nan 8.270 nan 0.000 0.511 362 D N 1.184 121.664 120.400 0.134 0.000 2.670 362 D HA 0.179 4.824 4.640 0.008 0.000 0.255 362 D C -0.516 175.931 176.300 0.246 0.000 1.286 362 D CA -0.278 53.866 54.000 0.240 0.000 0.830 362 D CB 0.971 41.754 40.800 -0.028 0.000 1.065 362 D HN -0.031 nan 8.370 nan 0.000 0.486 363 V N 0.440 120.499 119.914 0.242 0.000 2.584 363 V HA 0.229 4.353 4.120 0.008 0.000 0.303 363 V C 1.728 177.984 176.094 0.270 0.000 1.035 363 V CA 1.497 63.919 62.300 0.204 0.000 1.172 363 V CB 0.765 32.685 31.823 0.161 0.000 0.896 363 V HN 0.613 nan 8.190 nan 0.000 0.486 364 G N 4.654 113.562 108.800 0.181 0.000 2.234 364 G HA2 -0.278 3.687 3.960 0.008 0.000 0.235 364 G HA3 -0.278 3.687 3.960 0.008 0.000 0.235 364 G C 0.117 175.042 174.900 0.041 0.000 0.997 364 G CA 0.134 45.360 45.100 0.210 0.000 0.623 364 G HN 0.856 nan 8.290 nan 0.000 0.514 365 F N 2.071 121.720 119.950 -0.502 0.000 2.563 365 F HA 0.489 5.020 4.527 0.007 0.000 0.363 365 F C 0.421 175.875 175.800 -0.576 0.000 1.123 365 F CA 0.002 57.383 58.000 -1.033 0.000 1.307 365 F CB 0.966 39.304 39.000 -1.103 0.000 1.115 365 F HN 0.092 nan 8.300 nan 0.000 0.592 366 V N 7.777 126.825 119.914 -1.443 0.000 2.378 366 V HA 0.308 4.433 4.120 0.008 0.000 0.288 366 V C -2.134 173.112 176.094 -1.414 0.000 1.016 366 V CA -2.024 59.568 62.300 -1.179 0.000 0.840 366 V CB 1.351 32.444 31.823 -1.217 0.000 0.994 366 V HN 0.678 nan 8.190 nan 0.000 0.431 367 P HA 0.010 nan 4.420 nan 0.000 0.265 367 P C 0.480 177.459 177.300 -0.536 0.000 1.187 367 P CA 0.259 62.998 63.100 -0.602 0.000 0.766 367 P CB 0.734 32.201 31.700 -0.389 0.000 0.820 368 D N 2.784 122.986 120.400 -0.329 0.000 2.144 368 D HA -0.062 4.582 4.640 0.008 0.000 0.200 368 D C 0.058 176.064 176.300 -0.490 0.000 0.978 368 D CA 1.253 55.123 54.000 -0.217 0.000 0.833 368 D CB 0.061 40.869 40.800 0.014 0.000 0.961 368 D HN 0.177 nan 8.370 nan 0.000 0.470 369 L N 1.011 121.830 121.223 -0.673 0.000 2.528 369 L HA 0.297 4.642 4.340 0.008 0.000 0.267 369 L C -1.308 174.891 176.870 -1.119 0.000 0.961 369 L CA -0.848 53.386 54.840 -1.009 0.000 0.866 369 L CB 1.542 42.992 42.059 -1.015 0.000 1.248 369 L HN -0.043 nan 8.230 nan 0.000 0.404 370 I N 1.834 121.748 120.570 -1.093 0.000 2.648 370 I HA 0.994 5.169 4.170 0.008 0.000 0.304 370 I C -0.566 175.152 176.117 -0.665 0.000 1.009 370 I CA -0.396 60.063 61.300 -1.402 0.000 1.114 370 I CB 1.440 38.745 38.000 -1.158 0.000 1.293 370 I HN 0.701 nan 8.210 nan 0.000 0.449 371 A N 4.061 126.705 122.820 -0.294 0.000 2.536 371 A HA 0.331 4.656 4.320 0.008 0.000 0.293 371 A C 0.089 177.834 177.584 0.268 0.000 1.119 371 A CA -0.567 51.501 52.037 0.052 0.000 0.654 371 A CB 0.294 19.320 19.000 0.043 0.000 1.291 371 A HN 0.943 nan 8.150 nan 0.000 0.439 372 W N 1.227 122.594 121.300 0.111 0.000 2.304 372 W HA -0.108 4.558 4.660 0.009 0.000 0.315 372 W C -0.342 176.199 176.519 0.035 0.000 1.233 372 W CA 2.141 59.533 57.345 0.078 0.000 1.261 372 W CB -0.147 29.336 29.460 0.038 0.000 1.150 372 W HN 0.613 nan 8.180 nan 0.000 0.494 373 N N 1.284 120.202 118.700 0.365 0.000 2.419 373 N HA 0.220 4.964 4.740 0.008 0.000 0.277 373 N C -0.387 175.127 175.510 0.007 0.000 1.006 373 N CA -0.253 52.901 53.050 0.173 0.000 0.923 373 N CB 1.607 40.179 38.487 0.142 0.000 1.140 373 N HN -0.113 nan 8.380 nan 0.000 0.488 374 L N 1.070 122.115 121.223 -0.298 0.000 2.464 374 L HA 0.097 4.442 4.340 0.008 0.000 0.264 374 L C 1.456 178.058 176.870 -0.446 0.000 1.199 374 L CA -0.224 54.145 54.840 -0.785 0.000 0.818 374 L CB 0.344 41.900 42.059 -0.838 0.000 1.102 374 L HN 0.570 nan 8.230 nan 0.000 0.473 375 S N 0.812 116.188 115.700 -0.542 0.000 2.600 375 S HA 0.217 4.692 4.470 0.008 0.000 0.265 375 S C -1.930 172.555 174.600 -0.191 0.000 1.325 375 S CA -1.083 56.989 58.200 -0.214 0.000 1.002 375 S CB 0.886 64.018 63.200 -0.115 0.000 0.921 375 S HN 0.402 nan 8.310 nan 0.000 0.554 376 P HA -0.065 nan 4.420 nan 0.000 0.218 376 P C 0.967 178.218 177.300 -0.081 0.000 1.148 376 P CA 1.111 64.165 63.100 -0.077 0.000 0.822 376 P CB -0.032 31.646 31.700 -0.036 0.000 0.784 377 E N -0.815 119.338 120.200 -0.078 0.000 2.267 377 E HA -0.130 4.224 4.350 0.008 0.000 0.197 377 E C 1.373 177.916 176.600 -0.094 0.000 0.998 377 E CA 0.993 57.355 56.400 -0.064 0.000 0.830 377 E CB -0.464 29.212 29.700 -0.039 0.000 0.751 377 E HN 0.259 nan 8.360 nan 0.000 0.491 378 R N -1.323 119.072 120.500 -0.175 0.000 2.546 378 R HA 0.279 4.624 4.340 0.008 0.000 0.320 378 R C 0.553 176.749 176.300 -0.173 0.000 1.021 378 R CA 0.474 56.458 56.100 -0.195 0.000 1.088 378 R CB 0.911 30.996 30.300 -0.358 0.000 1.278 378 R HN 0.235 nan 8.270 nan 0.000 0.557 379 G N -0.125 108.595 108.800 -0.132 0.000 2.194 379 G HA2 -0.234 3.731 3.960 0.008 0.000 0.236 379 G HA3 -0.234 3.731 3.960 0.008 0.000 0.236 379 G C 0.360 175.198 174.900 -0.104 0.000 0.987 379 G CA -0.228 44.813 45.100 -0.098 0.000 0.635 379 G HN 0.536 nan 8.290 nan 0.000 0.520 380 G N -0.167 108.543 108.800 -0.149 0.000 2.795 380 G HA2 0.577 4.541 3.960 0.008 0.000 0.267 380 G HA3 0.577 4.541 3.960 0.008 0.000 0.267 380 G C 0.198 175.043 174.900 -0.091 0.000 1.362 380 G CA 0.630 45.659 45.100 -0.119 0.000 1.048 380 G HN 0.613 nan 8.290 nan 0.000 0.547 381 D N -1.490 118.868 120.400 -0.070 0.000 2.599 381 D HA 0.220 4.864 4.640 0.008 0.000 0.249 381 D C 0.869 177.118 176.300 -0.085 0.000 1.313 381 D CA -0.265 53.693 54.000 -0.070 0.000 0.815 381 D CB 0.029 40.793 40.800 -0.060 0.000 1.077 381 D HN 0.553 nan 8.370 nan 0.000 0.492 382 G N -0.407 108.354 108.800 -0.065 0.000 2.403 382 G HA2 0.433 4.397 3.960 0.008 0.000 0.259 382 G HA3 0.433 4.397 3.960 0.008 0.000 0.259 382 G C 0.894 175.773 174.900 -0.036 0.000 1.244 382 G CA -0.361 44.719 45.100 -0.034 0.000 0.849 382 G HN 0.198 nan 8.290 nan 0.000 0.532 383 G N 0.749 109.484 108.800 -0.109 0.000 3.020 383 G HA2 -0.025 3.939 3.960 0.008 0.000 0.217 383 G HA3 -0.025 3.939 3.960 0.008 0.000 0.217 383 G C 1.102 176.169 174.900 0.278 0.000 1.144 383 G CA -0.010 45.056 45.100 -0.056 0.000 0.760 383 G HN 0.621 nan 8.290 nan 0.000 0.548 384 N N -0.944 117.893 118.700 0.229 0.000 2.387 384 N HA 0.038 4.783 4.740 0.008 0.000 0.176 384 N C 0.547 176.119 175.510 0.104 0.000 1.022 384 N CA -0.599 52.580 53.050 0.215 0.000 0.883 384 N CB 0.149 38.739 38.487 0.171 0.000 1.019 384 N HN 0.255 nan 8.380 nan 0.000 0.435 385 W N 3.292 124.545 121.300 -0.078 0.000 2.513 385 W HA -0.063 4.601 4.660 0.007 0.000 0.339 385 W C -0.336 176.135 176.519 -0.080 0.000 1.257 385 W CA 0.759 58.019 57.345 -0.142 0.000 1.280 385 W CB -0.324 29.037 29.460 -0.166 0.000 1.214 385 W HN 0.068 nan 8.180 nan 0.000 0.567 386 N N 4.102 122.726 118.700 -0.126 0.000 2.352 386 N HA 0.184 4.928 4.740 0.008 0.000 0.291 386 N C -0.555 175.007 175.510 0.087 0.000 1.040 386 N CA -0.276 52.804 53.050 0.051 0.000 0.864 386 N CB 1.285 39.781 38.487 0.015 0.000 1.440 386 N HN 0.420 nan 8.380 nan 0.000 0.483 387 E N 1.939 122.286 120.200 0.245 0.000 2.734 387 E HA 0.193 4.547 4.350 0.008 0.000 0.211 387 E C 0.508 177.269 176.600 0.269 0.000 0.991 387 E CA 0.010 56.620 56.400 0.349 0.000 1.065 387 E CB 0.637 30.552 29.700 0.358 0.000 1.047 387 E HN 0.485 nan 8.360 nan 0.000 0.470 388 R N 1.440 122.108 120.500 0.280 0.000 2.276 388 R HA 0.036 4.381 4.340 0.008 0.000 0.203 388 R C 0.706 177.282 176.300 0.461 0.000 1.017 388 R CA 0.745 57.020 56.100 0.292 0.000 1.010 388 R CB 0.000 30.506 30.300 0.343 0.000 0.900 388 R HN 0.257 nan 8.270 nan 0.000 0.469 389 N N -2.238 116.763 118.700 0.501 0.000 3.356 389 N HA 0.028 4.773 4.740 0.008 0.000 0.246 389 N C -0.956 174.853 175.510 0.498 0.000 1.480 389 N CA -0.552 52.819 53.050 0.535 0.000 0.877 389 N CB 1.480 40.243 38.487 0.459 0.000 1.431 389 N HN -0.209 nan 8.380 nan 0.000 0.500 390 T N -0.970 113.814 114.554 0.384 0.000 2.602 390 T HA 0.545 4.900 4.350 0.008 0.000 0.235 390 T C -1.144 173.702 174.700 0.244 0.000 0.882 390 T CA -0.117 62.048 62.100 0.108 0.000 1.123 390 T CB 0.792 69.586 68.868 -0.124 0.000 1.662 390 T HN 0.444 nan 8.240 nan 0.000 0.536 391 K N 0.624 121.210 120.400 0.310 0.000 2.469 391 K HA 0.539 4.863 4.320 0.008 0.000 0.268 391 K C -2.858 173.908 176.600 0.276 0.000 1.027 391 K CA -2.166 54.234 56.287 0.189 0.000 0.893 391 K CB 1.376 33.965 32.500 0.148 0.000 1.460 391 K HN 0.299 nan 8.250 nan 0.000 0.449 392 P HA 0.026 nan 4.420 nan 0.000 0.266 392 P C -0.622 176.693 177.300 0.025 0.000 1.195 392 P CA 0.168 63.112 63.100 -0.259 0.000 0.768 392 P CB 0.510 31.585 31.700 -1.042 0.000 0.838 393 S N 3.116 118.815 115.700 -0.001 0.000 2.399 393 S HA 0.309 4.784 4.470 0.008 0.000 0.301 393 S C 0.307 174.867 174.600 -0.066 0.000 1.093 393 S CA -0.459 57.819 58.200 0.131 0.000 1.077 393 S CB -0.878 62.307 63.200 -0.024 0.000 0.980 393 S HN 0.350 nan 8.310 nan 0.000 0.494 394 L N 4.510 125.696 121.223 -0.063 0.000 3.202 394 L HA 0.341 4.685 4.340 0.008 0.000 0.278 394 L C 1.809 178.527 176.870 -0.254 0.000 1.268 394 L CA -0.135 54.695 54.840 -0.017 0.000 1.034 394 L CB -0.108 42.060 42.059 0.182 0.000 1.407 394 L HN 0.777 nan 8.230 nan 0.000 0.581 395 A N 0.573 122.876 122.820 -0.861 0.000 1.877 395 A HA -0.176 4.149 4.320 0.008 0.000 0.216 395 A C 2.452 179.854 177.584 -0.304 0.000 1.186 395 A CA 1.962 53.307 52.037 -1.155 0.000 0.620 395 A CB -0.283 18.221 19.000 -0.826 0.000 0.822 395 A HN 0.427 nan 8.150 nan 0.000 0.443 396 A N -1.615 121.154 122.820 -0.084 0.000 1.933 396 A HA -0.141 4.184 4.320 0.008 0.000 0.218 396 A C 1.981 179.534 177.584 -0.051 0.000 1.175 396 A CA 1.574 53.603 52.037 -0.012 0.000 0.628 396 A CB -0.924 18.128 19.000 0.087 0.000 0.814 396 A HN 0.913 nan 8.150 nan 0.000 0.444 397 W N 0.726 121.893 121.300 -0.221 0.000 2.338 397 W HA -0.186 4.479 4.660 0.007 0.000 0.304 397 W C 2.548 179.052 176.519 -0.026 0.000 1.212 397 W CA 2.011 59.122 57.345 -0.390 0.000 1.264 397 W CB -0.447 29.040 29.460 0.046 0.000 1.142 397 W HN 0.256 nan 8.180 nan 0.000 0.512 398 S N -0.309 115.512 115.700 0.202 0.000 2.355 398 S HA -0.183 4.291 4.470 0.008 0.000 0.222 398 S C 1.852 176.507 174.600 0.091 0.000 1.031 398 S CA 1.786 60.058 58.200 0.121 0.000 0.993 398 S CB -0.833 62.622 63.200 0.425 0.000 0.859 398 S HN 0.100 nan 8.310 nan 0.000 0.453 399 V N 1.797 121.792 119.914 0.135 0.000 2.332 399 V HA -0.173 3.952 4.120 0.008 0.000 0.248 399 V C 2.498 178.737 176.094 0.243 0.000 1.055 399 V CA 2.167 64.624 62.300 0.262 0.000 1.038 399 V CB -0.620 31.188 31.823 -0.025 0.000 0.651 399 V HN 0.523 nan 8.190 nan 0.000 0.450 400 M N 0.183 119.783 119.600 0.000 0.000 2.213 400 M HA -0.132 4.353 4.480 0.008 0.000 0.263 400 M C 1.892 178.183 176.300 -0.014 0.000 1.062 400 M CA 1.800 57.094 55.300 -0.010 0.000 1.105 400 M CB -0.524 31.936 32.600 -0.233 0.000 1.385 400 M HN 0.309 nan 8.290 nan 0.000 0.417 401 E N -0.763 119.322 120.200 -0.191 0.000 2.106 401 E HA -0.109 4.246 4.350 0.008 0.000 0.192 401 E C 1.823 178.214 176.600 -0.348 0.000 0.984 401 E CA 1.398 57.563 56.400 -0.392 0.000 0.806 401 E CB -0.347 28.823 29.700 -0.882 0.000 0.750 401 E HN 0.364 nan 8.360 nan 0.000 0.458 402 V N 0.374 120.156 119.914 -0.220 0.000 2.407 402 V HA -0.241 3.883 4.120 0.008 0.000 0.248 402 V C 2.041 178.013 176.094 -0.204 0.000 1.055 402 V CA 1.985 64.094 62.300 -0.318 0.000 1.049 402 V CB -0.671 30.889 31.823 -0.439 0.000 0.662 402 V HN 0.407 nan 8.190 nan 0.000 0.455 403 Y N 1.795 122.077 120.300 -0.029 0.000 2.200 403 Y HA -0.180 4.375 4.550 0.007 0.000 0.290 403 Y C 2.472 178.332 175.900 -0.066 0.000 1.137 403 Y CA 1.720 59.842 58.100 0.037 0.000 1.163 403 Y CB -0.366 38.173 38.460 0.132 0.000 0.988 403 Y HN 0.291 nan 8.280 nan 0.000 0.518 404 N N -0.088 118.529 118.700 -0.139 0.000 2.149 404 N HA -0.177 4.568 4.740 0.008 0.000 0.188 404 N C 1.896 177.229 175.510 -0.296 0.000 1.019 404 N CA 1.767 54.691 53.050 -0.210 0.000 0.857 404 N CB -0.515 37.910 38.487 -0.102 0.000 0.997 404 N HN 0.337 nan 8.380 nan 0.000 0.426 405 V N 0.572 120.280 119.914 -0.343 0.000 2.379 405 V HA -0.110 4.014 4.120 0.008 0.000 0.243 405 V C 2.462 178.371 176.094 -0.307 0.000 1.035 405 V CA 2.053 64.147 62.300 -0.342 0.000 1.035 405 V CB -0.787 30.756 31.823 -0.466 0.000 0.673 405 V HN 0.501 nan 8.190 nan 0.000 0.457 406 T N -2.874 111.479 114.554 -0.334 0.000 3.035 406 T HA -0.070 4.285 4.350 0.008 0.000 0.259 406 T C 1.075 175.601 174.700 -0.290 0.000 1.078 406 T CA 0.684 62.616 62.100 -0.281 0.000 1.132 406 T CB -0.181 68.523 68.868 -0.272 0.000 0.900 406 T HN 0.513 nan 8.240 nan 0.000 0.480 407 Q N 0.885 120.386 119.800 -0.499 0.000 2.480 407 Q HA -0.169 4.175 4.340 0.008 0.000 0.265 407 Q C -0.834 175.026 176.000 -0.233 0.000 1.072 407 Q CA 0.748 56.149 55.803 -0.671 0.000 1.018 407 Q CB -1.730 26.780 28.738 -0.380 0.000 1.433 407 Q HN 0.642 nan 8.270 nan 0.000 0.513 408 D N 0.361 120.746 120.400 -0.025 0.000 2.411 408 D HA 0.140 4.785 4.640 0.008 0.000 0.225 408 D C 0.727 177.267 176.300 0.401 0.000 1.156 408 D CA -0.091 54.011 54.000 0.170 0.000 0.874 408 D CB 0.777 41.640 40.800 0.106 0.000 1.034 408 D HN 0.094 nan 8.370 nan 0.000 0.502 409 K N 1.223 121.814 120.400 0.317 0.000 2.211 409 K HA -0.107 4.217 4.320 0.008 0.000 0.203 409 K C 1.853 178.508 176.600 0.092 0.000 1.050 409 K CA 1.417 57.821 56.287 0.193 0.000 0.945 409 K CB 0.014 32.576 32.500 0.103 0.000 0.732 409 K HN 0.545 nan 8.250 nan 0.000 0.451 410 T N -1.213 113.412 114.554 0.117 0.000 2.915 410 T HA -0.183 4.172 4.350 0.008 0.000 0.269 410 T C 1.575 176.348 174.700 0.122 0.000 1.071 410 T CA 0.369 62.519 62.100 0.083 0.000 1.132 410 T CB -0.390 68.529 68.868 0.084 0.000 0.878 410 T HN 0.503 nan 8.240 nan 0.000 0.479 411 W N 1.730 123.032 121.300 0.004 0.000 2.381 411 W HA -0.110 4.555 4.660 0.007 0.000 0.301 411 W C 1.604 178.099 176.519 -0.040 0.000 1.205 411 W CA 0.580 57.920 57.345 -0.009 0.000 1.285 411 W CB -0.224 29.247 29.460 0.019 0.000 1.133 411 W HN 0.146 nan 8.180 nan 0.000 0.521 412 V N 2.105 121.908 119.914 -0.185 0.000 2.358 412 V HA -0.274 3.850 4.120 0.008 0.000 0.246 412 V C 2.792 178.704 176.094 -0.303 0.000 1.047 412 V CA 2.243 64.314 62.300 -0.382 0.000 1.035 412 V CB -1.584 30.005 31.823 -0.389 0.000 0.658 412 V HN 0.294 nan 8.190 nan 0.000 0.452 413 A N -0.581 122.122 122.820 -0.195 0.000 1.933 413 A HA -0.267 4.057 4.320 0.008 0.000 0.218 413 A C 2.298 179.800 177.584 -0.138 0.000 1.175 413 A CA 1.983 53.934 52.037 -0.144 0.000 0.628 413 A CB -0.450 18.495 19.000 -0.093 0.000 0.814 413 A HN 0.625 nan 8.150 nan 0.000 0.444 414 E N -0.963 119.128 120.200 -0.182 0.000 2.047 414 E HA -0.162 4.192 4.350 0.008 0.000 0.191 414 E C 1.834 178.237 176.600 -0.327 0.000 0.987 414 E CA 1.349 57.630 56.400 -0.199 0.000 0.799 414 E CB -0.123 29.488 29.700 -0.149 0.000 0.752 414 E HN 0.484 nan 8.360 nan 0.000 0.449 415 M N -0.368 118.909 119.600 -0.539 0.000 2.388 415 M HA -0.060 4.425 4.480 0.008 0.000 0.265 415 M C 1.974 178.005 176.300 -0.447 0.000 1.088 415 M CA 0.699 55.618 55.300 -0.634 0.000 1.134 415 M CB -1.049 30.984 32.600 -0.945 0.000 1.384 415 M HN 0.180 nan 8.290 nan 0.000 0.447 416 Y N 3.357 123.405 120.300 -0.420 0.000 2.030 416 Y HA -0.227 4.328 4.550 0.008 0.000 0.272 416 Y C -0.593 175.165 175.900 -0.237 0.000 1.185 416 Y CA 2.752 60.669 58.100 -0.306 0.000 1.120 416 Y CB -1.877 36.440 38.460 -0.239 0.000 0.955 416 Y HN 0.161 nan 8.280 nan 0.000 0.495 417 P HA -0.180 nan 4.420 nan 0.000 0.218 417 P C 0.848 178.002 177.300 -0.242 0.000 1.148 417 P CA 2.162 65.129 63.100 -0.223 0.000 0.822 417 P CB -0.078 31.570 31.700 -0.086 0.000 0.784 418 K N -0.274 119.930 120.400 -0.327 0.000 2.057 418 K HA -0.013 4.311 4.320 0.008 0.000 0.206 418 K C 2.413 178.821 176.600 -0.319 0.000 1.050 418 K CA 0.972 57.029 56.287 -0.384 0.000 0.935 418 K CB -0.562 31.477 32.500 -0.769 0.000 0.715 418 K HN 0.159 nan 8.250 nan 0.000 0.439 419 L N 0.722 121.695 121.223 -0.418 0.000 2.093 419 L HA -0.171 4.174 4.340 0.008 0.000 0.208 419 L C 2.348 179.186 176.870 -0.054 0.000 1.085 419 L CA 0.792 55.528 54.840 -0.174 0.000 0.755 419 L CB -0.444 41.453 42.059 -0.270 0.000 0.904 419 L HN -0.017 nan 8.230 nan 0.000 0.435 420 V N 0.107 119.866 119.914 -0.257 0.000 2.343 420 V HA -0.290 3.835 4.120 0.008 0.000 0.247 420 V C 2.760 178.912 176.094 0.097 0.000 1.051 420 V CA 1.827 64.018 62.300 -0.182 0.000 1.036 420 V CB -0.850 30.759 31.823 -0.358 0.000 0.654 420 V HN 0.482 nan 8.190 nan 0.000 0.451 421 A N -1.036 121.842 122.820 0.095 0.000 1.933 421 A HA -0.265 4.060 4.320 0.008 0.000 0.218 421 A C 2.205 180.024 177.584 0.392 0.000 1.175 421 A CA 2.011 54.171 52.037 0.205 0.000 0.628 421 A CB -0.728 18.356 19.000 0.141 0.000 0.814 421 A HN 0.589 nan 8.150 nan 0.000 0.444 422 Y N 0.162 120.628 120.300 0.276 0.000 2.163 422 Y HA -0.208 4.347 4.550 0.007 0.000 0.288 422 Y C 2.453 178.693 175.900 0.567 0.000 1.136 422 Y CA 1.721 60.054 58.100 0.389 0.000 1.147 422 Y CB -0.896 37.833 38.460 0.447 0.000 0.987 422 Y HN 0.643 nan 8.280 nan 0.000 0.509 423 H N 0.062 119.386 119.070 0.423 0.000 2.319 423 H HA -0.153 4.408 4.556 0.008 0.000 0.299 423 H C 1.337 176.854 175.328 0.315 0.000 1.092 423 H CA 2.123 58.361 56.048 0.316 0.000 1.302 423 H CB -0.245 29.601 29.762 0.140 0.000 1.373 423 H HN 0.316 nan 8.280 nan 0.000 0.497 424 D N -0.166 120.517 120.400 0.472 0.000 2.144 424 D HA -0.145 4.499 4.640 0.008 0.000 0.200 424 D C 2.072 178.504 176.300 0.219 0.000 0.978 424 D CA 0.860 55.051 54.000 0.318 0.000 0.833 424 D CB -0.856 40.112 40.800 0.279 0.000 0.961 424 D HN 0.514 nan 8.370 nan 0.000 0.470 425 W N 0.681 122.061 121.300 0.133 0.000 2.355 425 W HA -0.193 4.472 4.660 0.008 0.000 0.309 425 W C 1.815 178.326 176.519 -0.013 0.000 1.206 425 W CA 1.273 58.650 57.345 0.052 0.000 1.284 425 W CB -0.765 28.739 29.460 0.073 0.000 1.145 425 W HN -0.021 nan 8.180 nan 0.000 0.502 426 W N 0.340 121.575 121.300 -0.108 0.000 2.338 426 W HA -0.191 4.474 4.660 0.007 0.000 0.304 426 W C 2.338 178.597 176.519 -0.434 0.000 1.212 426 W CA 1.534 58.629 57.345 -0.417 0.000 1.264 426 W CB -1.017 28.300 29.460 -0.238 0.000 1.142 426 W HN -0.173 nan 8.180 nan 0.000 0.512 427 L N -0.264 120.910 121.223 -0.082 0.000 2.201 427 L HA -0.102 4.242 4.340 0.008 0.000 0.212 427 L C 2.460 179.236 176.870 -0.158 0.000 1.105 427 L CA 1.110 55.875 54.840 -0.126 0.000 0.775 427 L CB -0.600 41.397 42.059 -0.104 0.000 0.913 427 L HN 0.012 nan 8.230 nan 0.000 0.440 428 R N -0.293 120.084 120.500 -0.206 0.000 2.090 428 R HA 0.019 4.364 4.340 0.008 0.000 0.219 428 R C 1.302 177.424 176.300 -0.296 0.000 1.100 428 R CA 0.910 56.889 56.100 -0.202 0.000 0.991 428 R CB -0.034 30.181 30.300 -0.140 0.000 0.893 428 R HN 0.307 nan 8.270 nan 0.000 0.443 429 N N -0.203 118.171 118.700 -0.544 0.000 2.236 429 N HA 0.062 4.806 4.740 0.008 0.000 0.196 429 N C 0.094 175.305 175.510 -0.499 0.000 1.114 429 N CA 0.289 52.996 53.050 -0.572 0.000 0.859 429 N CB 0.761 38.767 38.487 -0.802 0.000 0.982 429 N HN -0.103 nan 8.380 nan 0.000 0.493 430 R N 0.450 120.691 120.500 -0.432 0.000 2.734 430 R HA 0.224 4.569 4.340 0.008 0.000 0.395 430 R C -0.930 175.303 176.300 -0.112 0.000 1.096 430 R CA -0.072 55.905 56.100 -0.204 0.000 1.071 430 R CB 0.101 30.364 30.300 -0.062 0.000 1.348 430 R HN -0.015 nan 8.270 nan 0.000 0.600 431 D N -0.614 119.711 120.400 -0.124 0.000 2.714 431 D HA 0.049 4.693 4.640 0.008 0.000 0.264 431 D C 0.908 177.164 176.300 -0.073 0.000 1.231 431 D CA -0.285 53.656 54.000 -0.098 0.000 0.802 431 D CB 0.084 40.807 40.800 -0.127 0.000 1.319 431 D HN 0.147 nan 8.370 nan 0.000 0.528 432 H N 2.233 121.227 119.070 -0.127 0.000 2.321 432 H HA -0.178 4.383 4.556 0.008 0.000 0.295 432 H C 1.295 176.570 175.328 -0.088 0.000 1.102 432 H CA 2.734 58.714 56.048 -0.115 0.000 1.266 432 H CB 0.400 30.095 29.762 -0.111 0.000 1.363 432 H HN 0.301 nan 8.280 nan 0.000 0.492 433 N N -0.268 118.356 118.700 -0.127 0.000 2.322 433 N HA 0.070 4.815 4.740 0.008 0.000 0.194 433 N C 1.014 176.448 175.510 -0.126 0.000 1.126 433 N CA 0.714 53.671 53.050 -0.155 0.000 0.845 433 N CB -0.409 38.055 38.487 -0.038 0.000 0.976 433 N HN 0.525 nan 8.380 nan 0.000 0.475 434 G N 1.923 110.646 108.800 -0.129 0.000 2.341 434 G HA2 -0.370 3.595 3.960 0.008 0.000 0.292 434 G HA3 -0.370 3.595 3.960 0.008 0.000 0.292 434 G C 0.441 175.284 174.900 -0.095 0.000 1.021 434 G CA 0.619 45.652 45.100 -0.111 0.000 0.905 434 G HN 0.725 nan 8.290 nan 0.000 0.508 435 N N -0.410 118.224 118.700 -0.110 0.000 2.230 435 N HA 0.356 5.101 4.740 0.008 0.000 0.202 435 N C 1.609 177.014 175.510 -0.175 0.000 1.119 435 N CA 0.555 53.535 53.050 -0.116 0.000 0.851 435 N CB -0.004 38.422 38.487 -0.103 0.000 0.990 435 N HN 1.493 nan 8.380 nan 0.000 0.497 436 G N -0.623 108.077 108.800 -0.166 0.000 2.179 436 G HA2 -0.246 3.719 3.960 0.008 0.000 0.260 436 G HA3 -0.246 3.719 3.960 0.008 0.000 0.260 436 G C -0.512 174.244 174.900 -0.240 0.000 0.977 436 G CA 0.417 45.416 45.100 -0.169 0.000 0.641 436 G HN 0.316 nan 8.290 nan 0.000 0.533 437 V N 1.760 121.479 119.914 -0.326 0.000 2.357 437 V HA 0.500 4.625 4.120 0.008 0.000 0.284 437 V C -1.733 174.202 176.094 -0.264 0.000 1.018 437 V CA -1.749 60.320 62.300 -0.384 0.000 0.841 437 V CB 1.911 33.304 31.823 -0.717 0.000 0.991 437 V HN 0.086 nan 8.190 nan 0.000 0.437 438 P HA 0.405 nan 4.420 nan 0.000 0.273 438 P C -0.792 176.389 177.300 -0.197 0.000 1.250 438 P CA -0.386 62.592 63.100 -0.202 0.000 0.793 438 P CB 0.783 32.325 31.700 -0.262 0.000 1.011 439 E N -0.691 119.431 120.200 -0.130 0.000 2.343 439 E HA 0.431 4.786 4.350 0.008 0.000 0.270 439 E C -1.092 175.489 176.600 -0.032 0.000 0.895 439 E CA -0.542 55.800 56.400 -0.097 0.000 0.767 439 E CB 0.660 30.349 29.700 -0.018 0.000 1.248 439 E HN 0.268 nan 8.360 nan 0.000 0.440 440 Y N 0.514 120.887 120.300 0.122 0.000 2.336 440 Y HA 0.612 5.167 4.550 0.008 0.000 0.331 440 Y C 1.095 177.074 175.900 0.132 0.000 1.211 440 Y CA 0.599 58.793 58.100 0.155 0.000 1.346 440 Y CB 1.227 39.705 38.460 0.029 0.000 1.271 440 Y HN 0.624 nan 8.280 nan 0.000 0.538 441 G N -0.347 108.673 108.800 0.366 0.000 2.677 441 G HA2 0.743 4.707 3.960 0.008 0.000 0.283 441 G HA3 0.743 4.707 3.960 0.008 0.000 0.283 441 G C -1.854 173.233 174.900 0.311 0.000 1.221 441 G CA -0.233 45.023 45.100 0.261 0.000 0.851 441 G HN 0.817 nan 8.290 nan 0.000 0.504 442 A N -0.936 122.076 122.820 0.320 0.000 2.594 442 A HA 0.887 5.211 4.320 0.008 0.000 0.291 442 A C 0.102 177.929 177.584 0.405 0.000 1.105 442 A CA 0.399 52.661 52.037 0.374 0.000 0.694 442 A CB 1.041 20.173 19.000 0.219 0.000 1.291 442 A HN 1.833 nan 8.150 nan 0.000 0.410 443 T N -1.149 113.648 114.554 0.404 0.000 2.824 443 T HA 0.577 4.931 4.350 0.008 0.000 0.277 443 T C 0.373 175.274 174.700 0.336 0.000 0.975 443 T CA -0.585 61.647 62.100 0.221 0.000 0.966 443 T CB 0.621 69.461 68.868 -0.047 0.000 1.054 443 T HN 0.834 nan 8.240 nan 0.000 0.533 444 R N 0.697 121.278 120.500 0.134 0.000 2.389 444 R HA 0.418 4.763 4.340 0.008 0.000 0.295 444 R C -1.093 175.262 176.300 0.093 0.000 1.075 444 R CA -0.177 56.017 56.100 0.156 0.000 1.005 444 R CB 0.041 30.361 30.300 0.033 0.000 0.987 444 R HN 0.896 nan 8.270 nan 0.000 0.452 445 D N 1.632 122.081 120.400 0.081 0.000 2.609 445 D HA 0.153 4.798 4.640 0.008 0.000 0.239 445 D C -0.037 176.230 176.300 -0.054 0.000 1.229 445 D CA -0.683 53.260 54.000 -0.095 0.000 0.808 445 D CB 1.660 42.197 40.800 -0.439 0.000 1.448 445 D HN 0.442 nan 8.370 nan 0.000 0.433 446 K N 0.674 121.046 120.400 -0.046 0.000 2.280 446 K HA -0.057 4.267 4.320 0.008 0.000 0.202 446 K C 1.411 178.007 176.600 -0.007 0.000 1.047 446 K CA 1.187 57.470 56.287 -0.007 0.000 0.942 446 K CB -0.024 32.477 32.500 0.002 0.000 0.739 446 K HN 0.363 nan 8.250 nan 0.000 0.457 447 A N 0.157 122.936 122.820 -0.068 0.000 2.123 447 A HA -0.045 4.279 4.320 0.008 0.000 0.214 447 A C 1.258 178.912 177.584 0.116 0.000 1.152 447 A CA 0.715 52.747 52.037 -0.009 0.000 0.728 447 A CB -0.333 18.654 19.000 -0.023 0.000 0.814 447 A HN 0.357 nan 8.150 nan 0.000 0.464 448 H N -1.048 118.042 119.070 0.033 0.000 2.639 448 H HA 0.131 4.691 4.556 0.007 0.000 0.267 448 H C -0.032 175.310 175.328 0.024 0.000 0.958 448 H CA 0.222 56.267 56.048 -0.004 0.000 1.221 448 H CB 0.264 30.058 29.762 0.053 0.000 1.446 448 H HN 0.749 nan 8.280 nan 0.000 0.512 449 N N -0.255 118.561 118.700 0.193 0.000 2.825 449 N HA 0.125 4.869 4.740 0.008 0.000 0.253 449 N C -0.661 174.907 175.510 0.097 0.000 1.426 449 N CA -0.727 52.420 53.050 0.161 0.000 0.851 449 N CB 1.238 39.880 38.487 0.258 0.000 1.470 449 N HN -0.029 nan 8.380 nan 0.000 0.517 450 T N -2.720 111.882 114.554 0.079 0.000 2.754 450 T HA 0.225 4.580 4.350 0.008 0.000 0.286 450 T C 0.752 175.483 174.700 0.052 0.000 0.997 450 T CA -0.330 61.799 62.100 0.050 0.000 0.982 450 T CB 0.591 69.481 68.868 0.037 0.000 1.027 450 T HN 0.597 nan 8.240 nan 0.000 0.529 451 E N 0.483 120.705 120.200 0.036 0.000 2.160 451 E HA -0.138 4.216 4.350 0.008 0.000 0.195 451 E C 2.249 178.870 176.600 0.034 0.000 0.991 451 E CA 1.450 57.869 56.400 0.032 0.000 0.810 451 E CB -0.207 29.506 29.700 0.023 0.000 0.742 451 E HN 0.810 nan 8.360 nan 0.000 0.466 452 S N -0.756 114.966 115.700 0.036 0.000 2.561 452 S HA 0.134 4.609 4.470 0.008 0.000 0.225 452 S C 1.555 176.182 174.600 0.046 0.000 0.977 452 S CA 0.312 58.534 58.200 0.036 0.000 0.926 452 S CB 0.469 63.689 63.200 0.034 0.000 0.769 452 S HN 0.393 nan 8.310 nan 0.000 0.533 453 G N 0.699 109.537 108.800 0.063 0.000 2.134 453 G HA2 -0.158 3.807 3.960 0.008 0.000 0.209 453 G HA3 -0.158 3.807 3.960 0.008 0.000 0.209 453 G C -0.439 174.534 174.900 0.121 0.000 0.993 453 G CA -0.271 44.878 45.100 0.082 0.000 0.669 453 G HN 0.464 nan 8.290 nan 0.000 0.519 454 E N 0.386 120.656 120.200 0.116 0.000 2.167 454 E HA 0.351 4.706 4.350 0.008 0.000 0.284 454 E C 0.818 177.517 176.600 0.164 0.000 1.016 454 E CA -0.640 55.841 56.400 0.134 0.000 0.817 454 E CB 1.170 30.926 29.700 0.093 0.000 1.080 454 E HN 0.528 nan 8.360 nan 0.000 0.397 455 M N 4.237 123.968 119.600 0.218 0.000 2.252 455 M HA 0.047 4.532 4.480 0.008 0.000 0.348 455 M C -0.777 175.607 176.300 0.141 0.000 1.334 455 M CA 0.147 55.549 55.300 0.170 0.000 1.071 455 M CB 0.206 32.875 32.600 0.114 0.000 1.763 455 M HN 0.381 nan 8.290 nan 0.000 0.452 456 L N 6.714 127.973 121.223 0.059 0.000 2.375 456 L HA 0.641 4.985 4.340 0.008 0.000 0.271 456 L C -0.676 176.234 176.870 0.067 0.000 1.107 456 L CA -0.605 54.229 54.840 -0.009 0.000 0.806 456 L CB 0.803 42.847 42.059 -0.024 0.000 1.146 456 L HN 0.782 nan 8.230 nan 0.000 0.447 457 F N -0.979 118.923 119.950 -0.080 0.000 2.725 457 F HA 0.562 5.093 4.527 0.007 0.000 0.309 457 F C -1.065 174.688 175.800 -0.079 0.000 1.132 457 F CA -0.800 57.135 58.000 -0.108 0.000 0.957 457 F CB 1.419 40.355 39.000 -0.108 0.000 1.286 457 F HN 0.157 nan 8.300 nan 0.000 0.440 458 T N 2.548 117.163 114.554 0.102 0.000 2.815 458 T HA 0.578 4.932 4.350 0.008 0.000 0.289 458 T C -0.934 173.804 174.700 0.063 0.000 1.000 458 T CA -0.632 61.478 62.100 0.018 0.000 0.958 458 T CB 1.514 70.369 68.868 -0.021 0.000 0.944 458 T HN 0.610 nan 8.240 nan 0.000 0.442 459 V N 4.827 124.786 119.914 0.074 0.000 2.432 459 V HA 0.389 4.513 4.120 0.008 0.000 0.275 459 V C 0.237 176.353 176.094 0.037 0.000 1.043 459 V CA -0.511 61.807 62.300 0.030 0.000 0.925 459 V CB 0.782 32.660 31.823 0.091 0.000 0.985 459 V HN 0.700 nan 8.190 nan 0.000 0.466 460 K N 3.845 124.271 120.400 0.043 0.000 2.292 460 K HA 0.681 5.006 4.320 0.008 0.000 0.257 460 K C -0.806 175.862 176.600 0.114 0.000 0.940 460 K CA -1.002 55.325 56.287 0.067 0.000 0.811 460 K CB 2.087 34.615 32.500 0.047 0.000 1.120 460 K HN 0.449 nan 8.250 nan 0.000 0.428 461 K N 1.687 122.140 120.400 0.089 0.000 2.637 461 K HA 0.381 4.705 4.320 0.008 0.000 0.248 461 K C 0.056 176.689 176.600 0.054 0.000 0.971 461 K CA 0.322 56.660 56.287 0.086 0.000 0.858 461 K CB 1.244 33.797 32.500 0.088 0.000 1.170 461 K HN 0.709 nan 8.250 nan 0.000 0.443 462 G N 3.488 112.316 108.800 0.046 0.000 2.591 462 G HA2 -0.307 3.658 3.960 0.008 0.000 0.298 462 G HA3 -0.307 3.658 3.960 0.008 0.000 0.298 462 G C 0.020 174.937 174.900 0.029 0.000 1.195 462 G CA 0.439 45.558 45.100 0.032 0.000 0.989 462 G HN 0.651 nan 8.290 nan 0.000 0.551 463 D N 1.689 122.103 120.400 0.023 0.000 2.340 463 D HA 0.163 4.808 4.640 0.008 0.000 0.217 463 D C 0.500 176.812 176.300 0.020 0.000 1.081 463 D CA 0.365 54.377 54.000 0.019 0.000 0.842 463 D CB 0.296 41.105 40.800 0.015 0.000 0.934 463 D HN 0.210 nan 8.370 nan 0.000 0.511 464 K N 1.397 121.811 120.400 0.025 0.000 2.183 464 K HA 0.372 4.696 4.320 0.008 0.000 0.274 464 K C 0.438 177.054 176.600 0.027 0.000 1.009 464 K CA -0.201 56.100 56.287 0.024 0.000 0.888 464 K CB 2.045 34.562 32.500 0.027 0.000 1.078 464 K HN 0.067 nan 8.250 nan 0.000 0.459 465 E N 1.310 121.521 120.200 0.018 0.000 2.235 465 E HA 0.343 4.698 4.350 0.008 0.000 0.265 465 E C -0.952 175.652 176.600 0.006 0.000 0.940 465 E CA -0.696 55.712 56.400 0.012 0.000 0.819 465 E CB 2.114 31.816 29.700 0.004 0.000 1.206 465 E HN 0.458 nan 8.360 nan 0.000 0.409 466 E N 1.529 121.728 120.200 -0.003 0.000 2.466 466 E HA 0.099 4.453 4.350 0.008 0.000 0.308 466 E C -1.609 174.951 176.600 -0.066 0.000 0.933 466 E CA -0.348 56.041 56.400 -0.019 0.000 0.800 466 E CB 0.988 30.694 29.700 0.009 0.000 1.434 466 E HN 0.529 nan 8.360 nan 0.000 0.389 467 T N 1.482 115.974 114.554 -0.104 0.000 2.780 467 T HA 0.493 4.848 4.350 0.008 0.000 0.294 467 T C 0.092 174.612 174.700 -0.299 0.000 0.949 467 T CA -0.471 61.513 62.100 -0.194 0.000 1.074 467 T CB 1.553 70.339 68.868 -0.137 0.000 0.910 467 T HN 0.432 nan 8.240 nan 0.000 0.501 468 Q N 1.521 120.950 119.800 -0.618 0.000 2.892 468 Q HA 0.764 5.108 4.340 0.008 0.000 0.307 468 Q C -0.867 174.628 176.000 -0.841 0.000 1.039 468 Q CA -1.283 54.105 55.803 -0.693 0.000 0.792 468 Q CB 2.310 30.612 28.738 -0.727 0.000 1.504 468 Q HN 0.926 nan 8.270 nan 0.000 0.487 469 S N -1.508 113.919 115.700 -0.455 0.000 2.570 469 S HA 0.880 5.355 4.470 0.008 0.000 0.270 469 S C -0.588 174.087 174.600 0.125 0.000 1.149 469 S CA -0.280 57.835 58.200 -0.142 0.000 0.837 469 S CB 1.927 65.087 63.200 -0.065 0.000 1.124 469 S HN 1.239 nan 8.310 nan 0.000 0.465 470 G N 0.433 109.381 108.800 0.247 0.000 3.233 470 G HA2 0.124 4.089 3.960 0.008 0.000 0.686 470 G HA3 0.124 4.089 3.960 0.008 0.000 0.686 470 G C -0.190 174.910 174.900 0.333 0.000 1.153 470 G CA -0.273 44.977 45.100 0.250 0.000 0.853 470 G HN 1.387 nan 8.290 nan 0.000 0.582 471 L N 1.860 123.234 121.223 0.251 0.000 2.083 471 L HA -0.021 4.323 4.340 0.008 0.000 0.209 471 L C 2.493 179.519 176.870 0.261 0.000 1.083 471 L CA 2.615 57.607 54.840 0.255 0.000 0.752 471 L CB -0.292 41.884 42.059 0.196 0.000 0.899 471 L HN 0.693 nan 8.230 nan 0.000 0.433 472 N N -0.096 118.718 118.700 0.191 0.000 2.120 472 N HA -0.166 4.579 4.740 0.008 0.000 0.188 472 N C 1.499 177.088 175.510 0.132 0.000 1.024 472 N CA 1.475 54.607 53.050 0.137 0.000 0.852 472 N CB -0.560 37.991 38.487 0.107 0.000 1.003 472 N HN 0.466 nan 8.380 nan 0.000 0.424 473 N N 0.741 119.561 118.700 0.199 0.000 2.244 473 N HA -0.161 4.584 4.740 0.008 0.000 0.183 473 N C 1.747 177.352 175.510 0.160 0.000 1.016 473 N CA 0.523 53.712 53.050 0.232 0.000 0.866 473 N CB -0.501 38.201 38.487 0.358 0.000 0.980 473 N HN 0.400 nan 8.380 nan 0.000 0.430 474 Y N 1.902 122.162 120.300 -0.066 0.000 2.128 474 Y HA -0.150 4.404 4.550 0.007 0.000 0.284 474 Y C 2.344 178.086 175.900 -0.264 0.000 1.154 474 Y CA 1.686 59.463 58.100 -0.538 0.000 1.149 474 Y CB -0.668 37.503 38.460 -0.481 0.000 0.976 474 Y HN 0.051 nan 8.280 nan 0.000 0.505 475 A N 0.982 123.569 122.820 -0.390 0.000 1.865 475 A HA -0.255 4.070 4.320 0.008 0.000 0.217 475 A C 2.464 179.884 177.584 -0.274 0.000 1.191 475 A CA 3.208 55.005 52.037 -0.400 0.000 0.623 475 A CB -1.523 17.413 19.000 -0.105 0.000 0.826 475 A HN 0.586 nan 8.150 nan 0.000 0.444 476 R N -0.737 119.683 120.500 -0.133 0.000 2.081 476 R HA -0.022 4.323 4.340 0.008 0.000 0.235 476 R C 2.247 178.509 176.300 -0.064 0.000 1.131 476 R CA 1.892 57.953 56.100 -0.064 0.000 0.960 476 R CB -1.888 28.412 30.300 -0.001 0.000 0.856 476 R HN 0.464 nan 8.270 nan 0.000 0.436 477 V N 0.653 120.515 119.914 -0.086 0.000 2.407 477 V HA -0.220 3.905 4.120 0.008 0.000 0.248 477 V C 2.552 178.670 176.094 0.039 0.000 1.055 477 V CA 1.919 64.210 62.300 -0.015 0.000 1.049 477 V CB -0.281 31.510 31.823 -0.054 0.000 0.662 477 V HN 0.427 nan 8.190 nan 0.000 0.455 478 V N -0.142 119.676 119.914 -0.160 0.000 2.453 478 V HA -0.229 3.896 4.120 0.008 0.000 0.247 478 V C 2.416 178.489 176.094 -0.036 0.000 1.048 478 V CA 2.032 64.294 62.300 -0.062 0.000 1.049 478 V CB -0.515 31.099 31.823 -0.349 0.000 0.672 478 V HN 0.660 nan 8.190 nan 0.000 0.457 479 E N 0.622 120.769 120.200 -0.088 0.000 2.058 479 E HA -0.265 4.090 4.350 0.008 0.000 0.194 479 E C 2.190 178.767 176.600 -0.037 0.000 0.997 479 E CA 1.507 57.872 56.400 -0.059 0.000 0.801 479 E CB -0.020 29.645 29.700 -0.058 0.000 0.746 479 E HN 0.577 nan 8.360 nan 0.000 0.450 480 K N -0.773 119.615 120.400 -0.019 0.000 2.228 480 K HA 0.016 4.341 4.320 0.008 0.000 0.202 480 K C 1.193 177.753 176.600 -0.067 0.000 1.051 480 K CA 0.546 56.820 56.287 -0.021 0.000 0.960 480 K CB 0.013 32.517 32.500 0.008 0.000 0.743 480 K HN 0.314 nan 8.250 nan 0.000 0.458 481 G N 2.700 111.449 108.800 -0.084 0.000 2.341 481 G HA2 -0.303 3.662 3.960 0.008 0.000 0.292 481 G HA3 -0.303 3.662 3.960 0.008 0.000 0.292 481 G C -0.293 174.309 174.900 -0.496 0.000 1.021 481 G CA 0.379 45.241 45.100 -0.397 0.000 0.905 481 G HN 0.433 nan 8.290 nan 0.000 0.508 482 Q N -0.541 119.129 119.800 -0.216 0.000 3.091 482 Q HA 0.502 4.846 4.340 0.008 0.000 0.301 482 Q C -0.283 175.724 176.000 0.013 0.000 1.337 482 Q CA -0.393 55.344 55.803 -0.110 0.000 1.083 482 Q CB 0.189 28.924 28.738 -0.006 0.000 1.477 482 Q HN 0.832 nan 8.270 nan 0.000 0.537 483 Y N -3.305 116.999 120.300 0.006 0.000 2.624 483 Y HA 0.341 4.896 4.550 0.007 0.000 0.334 483 Y C -0.291 175.615 175.900 0.010 0.000 1.155 483 Y CA -1.498 56.610 58.100 0.013 0.000 1.046 483 Y CB 0.696 39.168 38.460 0.020 0.000 1.316 483 Y HN -0.114 nan 8.280 nan 0.000 0.457 484 D N 1.096 121.636 120.400 0.234 0.000 2.305 484 D HA 0.093 4.737 4.640 0.008 0.000 0.206 484 D C -0.143 176.293 176.300 0.228 0.000 0.974 484 D CA 1.517 55.607 54.000 0.150 0.000 0.871 484 D CB 0.450 41.305 40.800 0.091 0.000 0.947 484 D HN 0.544 nan 8.370 nan 0.000 0.516 485 S N -0.114 115.777 115.700 0.318 0.000 2.556 485 S HA 0.431 4.906 4.470 0.008 0.000 0.280 485 S C -1.503 173.088 174.600 -0.015 0.000 1.141 485 S CA -1.073 57.243 58.200 0.194 0.000 0.883 485 S CB 1.852 65.109 63.200 0.094 0.000 1.103 485 S HN -0.009 nan 8.310 nan 0.000 0.453 486 L N 1.817 122.935 121.223 -0.175 0.000 2.318 486 L HA 0.586 4.931 4.340 0.008 0.000 0.277 486 L C -0.639 176.135 176.870 -0.160 0.000 1.008 486 L CA -0.159 54.474 54.840 -0.345 0.000 0.846 486 L CB 0.998 42.664 42.059 -0.654 0.000 1.220 486 L HN 0.834 nan 8.230 nan 0.000 0.423 487 E N 6.769 126.914 120.200 -0.092 0.000 2.089 487 E HA 0.368 4.723 4.350 0.008 0.000 0.284 487 E C -0.846 175.699 176.600 -0.093 0.000 1.023 487 E CA -0.067 56.283 56.400 -0.083 0.000 0.819 487 E CB 1.270 30.940 29.700 -0.049 0.000 1.076 487 E HN 0.552 nan 8.360 nan 0.000 0.396 488 I N 5.117 125.567 120.570 -0.200 0.000 2.405 488 I HA 0.174 4.349 4.170 0.008 0.000 0.280 488 I C -1.901 173.985 176.117 -0.384 0.000 1.027 488 I CA -2.296 58.830 61.300 -0.290 0.000 1.161 488 I CB 1.482 39.178 38.000 -0.506 0.000 1.300 488 I HN 0.221 nan 8.210 nan 0.000 0.463 489 P HA -0.274 nan 4.420 nan 0.000 0.216 489 P C 1.559 178.545 177.300 -0.522 0.000 1.154 489 P CA 1.532 64.480 63.100 -0.254 0.000 0.865 489 P CB 0.348 32.035 31.700 -0.021 0.000 0.789 490 A N -0.682 121.679 122.820 -0.765 0.000 1.930 490 A HA -0.254 4.070 4.320 0.008 0.000 0.217 490 A C 2.340 179.447 177.584 -0.795 0.000 1.175 490 A CA 1.746 53.117 52.037 -1.111 0.000 0.627 490 A CB -1.316 17.107 19.000 -0.961 0.000 0.815 490 A HN 0.214 nan 8.150 nan 0.000 0.443 491 Q N -0.477 118.666 119.800 -1.096 0.000 2.245 491 Q HA -0.045 4.299 4.340 0.008 0.000 0.201 491 Q C 1.766 177.432 176.000 -0.556 0.000 0.955 491 Q CA 1.215 56.390 55.803 -1.046 0.000 0.870 491 Q CB -0.098 27.899 28.738 -1.235 0.000 0.945 491 Q HN 0.401 nan 8.270 nan 0.000 0.461 492 V N 0.668 120.236 119.914 -0.577 0.000 2.358 492 V HA -0.247 3.878 4.120 0.008 0.000 0.246 492 V C 2.288 177.825 176.094 -0.928 0.000 1.047 492 V CA 1.773 63.693 62.300 -0.634 0.000 1.035 492 V CB -0.910 30.516 31.823 -0.661 0.000 0.658 492 V HN 0.512 nan 8.190 nan 0.000 0.452 493 A N -0.058 122.290 122.820 -0.787 0.000 1.972 493 A HA -0.094 4.231 4.320 0.008 0.000 0.219 493 A C 2.409 179.917 177.584 -0.125 0.000 1.169 493 A CA 1.934 53.700 52.037 -0.452 0.000 0.635 493 A CB -0.680 18.290 19.000 -0.051 0.000 0.810 493 A HN 0.566 nan 8.150 nan 0.000 0.446 494 A N 0.443 123.180 122.820 -0.138 0.000 1.933 494 A HA -0.108 4.217 4.320 0.008 0.000 0.218 494 A C 2.520 180.012 177.584 -0.153 0.000 1.175 494 A CA 2.334 54.372 52.037 0.003 0.000 0.628 494 A CB -0.959 18.120 19.000 0.132 0.000 0.814 494 A HN 1.003 nan 8.150 nan 0.000 0.444 495 S N -1.564 113.993 115.700 -0.237 0.000 2.383 495 S HA -0.183 4.292 4.470 0.008 0.000 0.227 495 S C 1.765 176.287 174.600 -0.129 0.000 1.026 495 S CA 1.178 59.216 58.200 -0.270 0.000 0.981 495 S CB -0.664 62.490 63.200 -0.077 0.000 0.818 495 S HN 0.658 nan 8.310 nan 0.000 0.472 496 W N 2.139 123.362 121.300 -0.128 0.000 2.388 496 W HA 0.183 4.848 4.660 0.007 0.000 0.294 496 W C 2.497 178.948 176.519 -0.114 0.000 1.212 496 W CA 0.469 57.771 57.345 -0.071 0.000 1.271 496 W CB -1.139 28.349 29.460 0.046 0.000 1.126 496 W HN 0.546 nan 8.180 nan 0.000 0.535 497 E N 0.536 120.808 120.200 0.121 0.000 2.204 497 E HA -0.175 4.179 4.350 0.008 0.000 0.195 497 E C 2.232 178.607 176.600 -0.375 0.000 0.990 497 E CA 1.756 58.191 56.400 0.059 0.000 0.821 497 E CB -0.019 29.835 29.700 0.256 0.000 0.750 497 E HN 0.127 nan 8.360 nan 0.000 0.477 498 S N -1.305 113.923 115.700 -0.786 0.000 2.461 498 S HA 0.067 4.541 4.470 0.008 0.000 0.228 498 S C 1.746 175.869 174.600 -0.795 0.000 1.005 498 S CA 0.800 58.154 58.200 -1.410 0.000 0.942 498 S CB 0.174 62.592 63.200 -1.302 0.000 0.776 498 S HN 0.488 nan 8.310 nan 0.000 0.514 499 G N 1.534 110.027 108.800 -0.511 0.000 2.225 499 G HA2 -0.269 3.695 3.960 0.008 0.000 0.254 499 G HA3 -0.269 3.695 3.960 0.008 0.000 0.254 499 G C 0.258 174.818 174.900 -0.567 0.000 0.988 499 G CA 0.138 45.023 45.100 -0.358 0.000 0.625 499 G HN 0.621 nan 8.290 nan 0.000 0.527 500 R N 0.803 120.873 120.500 -0.718 0.000 2.564 500 R HA 0.364 4.709 4.340 0.008 0.000 0.282 500 R C 0.392 176.422 176.300 -0.450 0.000 1.573 500 R CA 0.094 55.467 56.100 -1.212 0.000 1.588 500 R CB 0.513 30.235 30.300 -0.963 0.000 1.154 500 R HN 0.344 nan 8.270 nan 0.000 0.606 501 D N -0.641 119.580 120.400 -0.298 0.000 2.392 501 D HA -0.157 4.487 4.640 0.008 0.000 0.228 501 D C 0.468 176.494 176.300 -0.457 0.000 1.003 501 D CA 0.689 54.596 54.000 -0.156 0.000 0.917 501 D CB 0.283 41.118 40.800 0.059 0.000 0.890 501 D HN 0.318 nan 8.370 nan 0.000 0.532 502 D N -0.876 119.395 120.400 -0.215 0.000 2.582 502 D HA 0.294 4.938 4.640 0.008 0.000 0.246 502 D C -0.224 176.216 176.300 0.233 0.000 1.334 502 D CA -0.281 53.513 54.000 -0.343 0.000 0.805 502 D CB 0.383 41.155 40.800 -0.046 0.000 1.087 502 D HN 0.234 nan 8.370 nan 0.000 0.499 503 A N 0.274 123.345 122.820 0.417 0.000 2.462 503 A HA 0.513 4.838 4.320 0.008 0.000 0.243 503 A C 1.715 179.606 177.584 0.510 0.000 1.076 503 A CA 0.451 52.771 52.037 0.472 0.000 0.773 503 A CB 0.517 19.735 19.000 0.364 0.000 1.010 503 A HN 0.295 nan 8.150 nan 0.000 0.493 504 A N 2.296 125.359 122.820 0.404 0.000 1.908 504 A HA -0.081 4.243 4.320 0.008 0.000 0.218 504 A C 2.077 179.856 177.584 0.325 0.000 1.181 504 A CA 1.935 54.249 52.037 0.462 0.000 0.627 504 A CB -0.966 18.310 19.000 0.460 0.000 0.818 504 A HN 1.534 nan 8.150 nan 0.000 0.445 505 V N -1.249 118.693 119.914 0.047 0.000 2.828 505 V HA -0.154 3.970 4.120 0.008 0.000 0.260 505 V C 1.311 177.242 176.094 -0.270 0.000 1.101 505 V CA 1.570 63.745 62.300 -0.209 0.000 1.123 505 V CB -0.760 30.828 31.823 -0.391 0.000 0.704 505 V HN 0.500 nan 8.190 nan 0.000 0.493 506 F N 0.641 120.722 119.950 0.218 0.000 2.645 506 F HA 0.525 5.057 4.527 0.007 0.000 0.300 506 F C 1.699 177.433 175.800 -0.110 0.000 1.115 506 F CA 0.118 58.199 58.000 0.135 0.000 1.355 506 F CB -0.092 39.082 39.000 0.291 0.000 1.026 506 F HN 0.231 nan 8.300 nan 0.000 0.536 507 G N -0.479 108.393 108.800 0.120 0.000 2.175 507 G HA2 -0.290 3.674 3.960 0.008 0.000 0.244 507 G HA3 -0.290 3.674 3.960 0.008 0.000 0.244 507 G C 0.075 174.965 174.900 -0.016 0.000 0.982 507 G CA -0.585 44.562 45.100 0.078 0.000 0.641 507 G HN 0.156 nan 8.290 nan 0.000 0.527 508 F N 1.006 121.139 119.950 0.306 0.000 2.424 508 F HA 0.768 5.300 4.527 0.008 0.000 0.356 508 F C 0.618 176.447 175.800 0.048 0.000 1.110 508 F CA -0.946 57.156 58.000 0.170 0.000 1.161 508 F CB 1.290 40.402 39.000 0.187 0.000 1.115 508 F HN 0.057 nan 8.300 nan 0.000 0.507 509 I N 3.616 124.204 120.570 0.030 0.000 2.753 509 I HA 0.191 4.366 4.170 0.008 0.000 0.291 509 I C -1.641 174.387 176.117 -0.149 0.000 1.425 509 I CA -0.777 60.384 61.300 -0.231 0.000 1.039 509 I CB 1.882 39.349 38.000 -0.889 0.000 1.349 509 I HN 0.646 nan 8.210 nan 0.000 0.430 510 D N 6.543 126.879 120.400 -0.107 0.000 2.312 510 D HA 0.326 4.971 4.640 0.008 0.000 0.248 510 D C 0.835 177.083 176.300 -0.086 0.000 1.086 510 D CA -0.425 53.539 54.000 -0.060 0.000 0.948 510 D CB 1.252 42.039 40.800 -0.023 0.000 1.162 510 D HN 0.491 nan 8.370 nan 0.000 0.446 511 K N 0.258 120.628 120.400 -0.050 0.000 2.030 511 K HA -0.299 4.025 4.320 0.008 0.000 0.222 511 K C 1.717 178.292 176.600 -0.041 0.000 1.056 511 K CA 2.210 58.472 56.287 -0.043 0.000 0.957 511 K CB -0.265 32.224 32.500 -0.019 0.000 0.727 511 K HN 0.467 nan 8.250 nan 0.000 0.452 512 E N 0.958 121.142 120.200 -0.026 0.000 2.070 512 E HA -0.221 4.134 4.350 0.008 0.000 0.197 512 E C 2.103 178.694 176.600 -0.015 0.000 1.004 512 E CA 1.617 58.009 56.400 -0.013 0.000 0.805 512 E CB -0.194 29.504 29.700 -0.004 0.000 0.744 512 E HN 0.357 nan 8.360 nan 0.000 0.451 513 Q N -0.359 119.418 119.800 -0.038 0.000 2.124 513 Q HA -0.121 4.224 4.340 0.008 0.000 0.202 513 Q C 2.162 178.123 176.000 -0.065 0.000 0.977 513 Q CA 0.978 56.755 55.803 -0.044 0.000 0.850 513 Q CB -0.196 28.491 28.738 -0.086 0.000 0.901 513 Q HN 0.188 nan 8.270 nan 0.000 0.429 514 L N 1.403 122.544 121.223 -0.138 0.000 2.093 514 L HA -0.146 4.198 4.340 0.008 0.000 0.208 514 L C 1.468 178.356 176.870 0.030 0.000 1.085 514 L CA 1.811 56.568 54.840 -0.139 0.000 0.755 514 L CB -0.430 41.497 42.059 -0.220 0.000 0.904 514 L HN 0.100 nan 8.230 nan 0.000 0.435 515 D N -0.315 120.091 120.400 0.010 0.000 2.144 515 D HA -0.244 4.401 4.640 0.008 0.000 0.199 515 D C 2.061 178.390 176.300 0.049 0.000 0.984 515 D CA 1.292 55.309 54.000 0.029 0.000 0.834 515 D CB -0.007 40.800 40.800 0.011 0.000 0.955 515 D HN 0.403 nan 8.370 nan 0.000 0.465 516 K N -0.298 120.136 120.400 0.056 0.000 2.097 516 K HA -0.178 4.146 4.320 0.008 0.000 0.205 516 K C 2.230 178.888 176.600 0.097 0.000 1.050 516 K CA 0.587 56.912 56.287 0.063 0.000 0.938 516 K CB -0.153 32.386 32.500 0.064 0.000 0.718 516 K HN 0.066 nan 8.250 nan 0.000 0.442 517 Y N 1.054 121.366 120.300 0.021 0.000 2.181 517 Y HA -0.233 4.322 4.550 0.008 0.000 0.288 517 Y C 1.785 177.731 175.900 0.076 0.000 1.146 517 Y CA 1.475 59.621 58.100 0.077 0.000 1.164 517 Y CB -0.241 38.287 38.460 0.113 0.000 0.982 517 Y HN -0.163 nan 8.280 nan 0.000 0.515 518 V N 0.308 120.272 119.914 0.082 0.000 2.358 518 V HA -0.289 3.835 4.120 0.008 0.000 0.246 518 V C 2.669 178.730 176.094 -0.054 0.000 1.047 518 V CA 1.732 64.031 62.300 -0.000 0.000 1.035 518 V CB -1.544 30.317 31.823 0.064 0.000 0.658 518 V HN 0.551 nan 8.190 nan 0.000 0.452 519 A N 0.351 123.157 122.820 -0.023 0.000 2.019 519 A HA -0.196 4.129 4.320 0.008 0.000 0.219 519 A C 1.878 179.430 177.584 -0.053 0.000 1.164 519 A CA 1.761 53.781 52.037 -0.027 0.000 0.644 519 A CB -0.555 18.441 19.000 -0.007 0.000 0.805 519 A HN 0.610 nan 8.150 nan 0.000 0.449 520 N N -0.890 117.759 118.700 -0.085 0.000 2.461 520 N HA 0.127 4.872 4.740 0.008 0.000 0.188 520 N C 1.069 176.492 175.510 -0.146 0.000 1.134 520 N CA 1.065 54.054 53.050 -0.102 0.000 0.878 520 N CB 0.491 38.921 38.487 -0.095 0.000 0.972 520 N HN 0.667 nan 8.380 nan 0.000 0.456 521 G N -0.714 107.987 108.800 -0.165 0.000 2.184 521 G HA2 -0.163 3.802 3.960 0.008 0.000 0.206 521 G HA3 -0.163 3.802 3.960 0.008 0.000 0.206 521 G C 0.396 175.165 174.900 -0.220 0.000 0.995 521 G CA -0.187 44.821 45.100 -0.154 0.000 0.651 521 G HN 0.572 nan 8.290 nan 0.000 0.511 522 G N -0.311 108.239 108.800 -0.417 0.000 2.528 522 G HA2 0.614 4.578 3.960 0.008 0.000 0.289 522 G HA3 0.614 4.578 3.960 0.008 0.000 0.289 522 G C -0.236 174.613 174.900 -0.084 0.000 1.192 522 G CA -0.547 44.244 45.100 -0.514 0.000 0.921 522 G HN 0.365 nan 8.290 nan 0.000 0.512 523 K N -0.300 120.208 120.400 0.180 0.000 2.207 523 K HA 0.317 4.641 4.320 0.008 0.000 0.255 523 K C 1.036 177.865 176.600 0.382 0.000 0.941 523 K CA -0.739 55.673 56.287 0.209 0.000 0.825 523 K CB 2.744 35.317 32.500 0.121 0.000 1.119 523 K HN 0.376 nan 8.250 nan 0.000 0.430 524 R N 0.349 121.008 120.500 0.266 0.000 2.152 524 R HA -0.125 4.219 4.340 0.008 0.000 0.232 524 R C 1.893 178.342 176.300 0.249 0.000 1.117 524 R CA 1.729 57.989 56.100 0.267 0.000 0.981 524 R CB -0.164 30.210 30.300 0.124 0.000 0.870 524 R HN 0.694 nan 8.270 nan 0.000 0.451 525 S N 0.690 116.486 115.700 0.160 0.000 2.507 525 S HA -0.088 4.387 4.470 0.008 0.000 0.235 525 S C 1.048 175.698 174.600 0.084 0.000 0.988 525 S CA 0.961 59.221 58.200 0.101 0.000 0.944 525 S CB -0.005 63.225 63.200 0.051 0.000 0.762 525 S HN 0.165 nan 8.310 nan 0.000 0.526 526 D N 0.647 121.114 120.400 0.112 0.000 2.310 526 D HA -0.021 4.623 4.640 0.008 0.000 0.212 526 D C 0.400 176.508 176.300 -0.321 0.000 0.965 526 D CA 0.694 54.644 54.000 -0.082 0.000 0.879 526 D CB -0.242 40.525 40.800 -0.054 0.000 0.921 526 D HN 0.697 nan 8.370 nan 0.000 0.510 527 W N 0.668 121.930 121.300 -0.063 0.000 3.239 527 W HA 0.168 4.833 4.660 0.008 0.000 0.348 527 W C 0.260 176.736 176.519 -0.072 0.000 1.183 527 W CA -0.186 57.100 57.345 -0.099 0.000 1.819 527 W CB 0.008 29.384 29.460 -0.140 0.000 1.091 527 W HN -0.344 nan 8.180 nan 0.000 0.629 528 T N 1.697 116.308 114.554 0.095 0.000 2.729 528 T HA 0.312 4.667 4.350 0.008 0.000 0.296 528 T C 0.006 174.730 174.700 0.040 0.000 0.928 528 T CA -0.161 61.979 62.100 0.067 0.000 1.045 528 T CB 1.337 70.244 68.868 0.066 0.000 0.902 528 T HN -0.427 nan 8.240 nan 0.000 0.500 529 V N 5.815 125.755 119.914 0.043 0.000 2.348 529 V HA 0.250 4.375 4.120 0.008 0.000 0.270 529 V C 0.653 176.820 176.094 0.123 0.000 1.037 529 V CA -0.766 61.578 62.300 0.074 0.000 0.872 529 V CB 0.668 32.546 31.823 0.091 0.000 1.002 529 V HN 0.750 nan 8.190 nan 0.000 0.464 530 K N 3.491 123.974 120.400 0.139 0.000 2.219 530 K HA 0.463 4.787 4.320 0.008 0.000 0.258 530 K C -0.851 175.915 176.600 0.276 0.000 1.008 530 K CA -0.180 56.236 56.287 0.215 0.000 0.928 530 K CB 0.799 33.386 32.500 0.145 0.000 0.983 530 K HN 0.459 nan 8.250 nan 0.000 0.484 531 F N -0.134 119.862 119.950 0.077 0.000 2.577 531 F HA 0.608 5.140 4.527 0.008 0.000 0.318 531 F C -0.910 174.803 175.800 -0.145 0.000 1.065 531 F CA -0.530 57.393 58.000 -0.128 0.000 0.929 531 F CB 1.928 40.707 39.000 -0.369 0.000 1.237 531 F HN 0.593 nan 8.300 nan 0.000 0.468 532 A N 2.691 125.136 122.820 -0.625 0.000 2.594 532 A HA 0.658 4.983 4.320 0.008 0.000 0.291 532 A C -1.562 175.768 177.584 -0.424 0.000 1.105 532 A CA -0.823 50.924 52.037 -0.483 0.000 0.694 532 A CB 1.552 20.066 19.000 -0.809 0.000 1.291 532 A HN 0.738 nan 8.150 nan 0.000 0.410 533 E N 0.870 120.977 120.200 -0.155 0.000 2.222 533 E HA 0.595 4.950 4.350 0.008 0.000 0.272 533 E C -1.179 175.376 176.600 -0.076 0.000 0.982 533 E CA -1.023 55.290 56.400 -0.145 0.000 0.842 533 E CB 1.198 30.856 29.700 -0.070 0.000 1.144 533 E HN 0.422 nan 8.360 nan 0.000 0.397 534 N N 1.958 120.548 118.700 -0.185 0.000 2.407 534 N HA 0.340 5.085 4.740 0.008 0.000 0.277 534 N C -1.036 174.394 175.510 -0.133 0.000 0.995 534 N CA -0.572 52.431 53.050 -0.080 0.000 0.903 534 N CB 1.601 40.020 38.487 -0.113 0.000 1.218 534 N HN 0.395 nan 8.380 nan 0.000 0.487 535 R N 0.028 120.472 120.500 -0.092 0.000 2.740 535 R HA 0.491 4.836 4.340 0.008 0.000 0.282 535 R C 0.280 176.532 176.300 -0.080 0.000 0.969 535 R CA -0.743 55.306 56.100 -0.086 0.000 0.918 535 R CB 1.638 31.901 30.300 -0.061 0.000 1.175 535 R HN 0.647 nan 8.270 nan 0.000 0.464 536 S N 0.530 116.189 115.700 -0.068 0.000 2.641 536 S HA -0.017 4.458 4.470 0.008 0.000 0.261 536 S C 1.047 175.618 174.600 -0.048 0.000 1.257 536 S CA -0.508 57.657 58.200 -0.058 0.000 0.983 536 S CB 1.149 64.323 63.200 -0.044 0.000 0.990 536 S HN 0.672 nan 8.310 nan 0.000 0.572 537 Q N 1.061 120.836 119.800 -0.042 0.000 2.135 537 Q HA -0.164 4.181 4.340 0.008 0.000 0.204 537 Q C 1.269 177.253 176.000 -0.026 0.000 0.981 537 Q CA 2.456 58.239 55.803 -0.035 0.000 0.856 537 Q CB -0.843 27.878 28.738 -0.030 0.000 0.902 537 Q HN 0.961 nan 8.270 nan 0.000 0.425 538 D N -2.352 118.035 120.400 -0.022 0.000 2.363 538 D HA 0.085 4.729 4.640 0.008 0.000 0.220 538 D C 1.082 177.372 176.300 -0.016 0.000 0.994 538 D CA 0.872 54.862 54.000 -0.016 0.000 0.890 538 D CB -0.196 40.596 40.800 -0.012 0.000 0.906 538 D HN 0.377 nan 8.370 nan 0.000 0.530 539 G N -0.985 107.801 108.800 -0.022 0.000 2.176 539 G HA2 -0.255 3.710 3.960 0.008 0.000 0.232 539 G HA3 -0.255 3.710 3.960 0.008 0.000 0.232 539 G C 0.370 175.255 174.900 -0.024 0.000 0.986 539 G CA 0.134 45.222 45.100 -0.021 0.000 0.643 539 G HN 0.428 nan 8.290 nan 0.000 0.522 540 T N 1.386 115.923 114.554 -0.027 0.000 2.916 540 T HA 0.392 4.746 4.350 0.008 0.000 0.303 540 T C 0.496 175.164 174.700 -0.052 0.000 1.025 540 T CA 0.095 62.177 62.100 -0.030 0.000 1.142 540 T CB 1.560 70.414 68.868 -0.023 0.000 0.947 540 T HN 0.641 nan 8.240 nan 0.000 0.544 541 L N 5.158 126.346 121.223 -0.058 0.000 2.433 541 L HA 0.226 4.571 4.340 0.008 0.000 0.275 541 L C 0.654 177.452 176.870 -0.120 0.000 1.128 541 L CA 0.390 55.165 54.840 -0.108 0.000 0.875 541 L CB -0.112 41.889 42.059 -0.098 0.000 1.171 541 L HN 0.695 nan 8.230 nan 0.000 0.463 542 L N 4.955 126.083 121.223 -0.157 0.000 2.408 542 L HA 0.490 4.835 4.340 0.008 0.000 0.215 542 L C 1.149 177.922 176.870 -0.161 0.000 1.081 542 L CA 0.457 55.219 54.840 -0.130 0.000 0.840 542 L CB -0.364 41.616 42.059 -0.132 0.000 1.002 542 L HN 0.888 nan 8.230 nan 0.000 0.468 543 G N -1.649 106.963 108.800 -0.313 0.000 2.398 543 G HA2 0.144 4.109 3.960 0.008 0.000 0.251 543 G HA3 0.144 4.109 3.960 0.008 0.000 0.251 543 G C -2.046 172.428 174.900 -0.708 0.000 1.277 543 G CA -0.705 44.182 45.100 -0.356 0.000 0.927 543 G HN -0.166 nan 8.290 nan 0.000 0.477 544 Y N -0.587 119.659 120.300 -0.090 0.000 2.609 544 Y HA 0.814 5.368 4.550 0.008 0.000 0.342 544 Y C 0.276 175.949 175.900 -0.377 0.000 1.058 544 Y CA -0.739 57.173 58.100 -0.314 0.000 1.055 544 Y CB 2.552 40.806 38.460 -0.344 0.000 1.292 544 Y HN 0.608 nan 8.280 nan 0.000 0.476 545 S N 1.159 116.557 115.700 -0.503 0.000 2.540 545 S HA 0.587 5.062 4.470 0.008 0.000 0.275 545 S C -1.150 173.136 174.600 -0.524 0.000 1.123 545 S CA -0.844 57.140 58.200 -0.360 0.000 0.907 545 S CB 1.169 64.242 63.200 -0.211 0.000 1.081 545 S HN 0.467 nan 8.310 nan 0.000 0.476 546 L N 2.327 123.478 121.223 -0.120 0.000 2.439 546 L HA 0.316 4.660 4.340 0.008 0.000 0.269 546 L C 0.004 176.859 176.870 -0.025 0.000 1.179 546 L CA -0.301 54.581 54.840 0.069 0.000 0.828 546 L CB 0.159 42.349 42.059 0.218 0.000 1.106 546 L HN 0.530 nan 8.230 nan 0.000 0.467 547 L N 3.961 125.183 121.223 -0.000 0.000 2.480 547 L HA 0.230 4.575 4.340 0.008 0.000 0.243 547 L C -0.056 176.848 176.870 0.055 0.000 1.315 547 L CA 0.399 55.233 54.840 -0.009 0.000 1.231 547 L CB -0.408 41.649 42.059 -0.003 0.000 1.444 547 L HN 0.625 nan 8.230 nan 0.000 0.409 548 Q N 0.967 120.811 119.800 0.073 0.000 2.378 548 Q HA 0.256 4.601 4.340 0.008 0.000 0.262 548 Q C -1.421 174.637 176.000 0.097 0.000 0.978 548 Q CA -0.608 55.256 55.803 0.102 0.000 0.918 548 Q CB 1.899 30.732 28.738 0.158 0.000 1.415 548 Q HN 0.319 nan 8.270 nan 0.000 0.409 549 E N 1.564 121.811 120.200 0.078 0.000 2.113 549 E HA 0.376 4.730 4.350 0.008 0.000 0.273 549 E C -1.055 175.571 176.600 0.043 0.000 0.924 549 E CA -0.457 55.962 56.400 0.032 0.000 0.764 549 E CB 1.852 31.573 29.700 0.034 0.000 1.104 549 E HN 0.392 nan 8.360 nan 0.000 0.406 550 S N 1.807 117.508 115.700 0.001 0.000 2.523 550 S HA -0.004 4.471 4.470 0.008 0.000 0.275 550 S C 1.056 175.618 174.600 -0.063 0.000 1.281 550 S CA -0.538 57.683 58.200 0.036 0.000 1.050 550 S CB 1.670 64.988 63.200 0.197 0.000 0.937 550 S HN 0.486 nan 8.310 nan 0.000 0.492 551 V N 3.271 123.152 119.914 -0.056 0.000 2.515 551 V HA -0.148 3.977 4.120 0.008 0.000 0.250 551 V C 2.021 177.956 176.094 -0.266 0.000 1.058 551 V CA 2.359 64.577 62.300 -0.137 0.000 1.064 551 V CB -0.537 31.213 31.823 -0.122 0.000 0.675 551 V HN 1.006 nan 8.190 nan 0.000 0.461 552 D N -0.573 119.676 120.400 -0.252 0.000 2.117 552 D HA -0.290 4.354 4.640 0.008 0.000 0.198 552 D C 2.021 178.013 176.300 -0.513 0.000 0.982 552 D CA 1.694 55.417 54.000 -0.461 0.000 0.828 552 D CB -0.513 40.127 40.800 -0.267 0.000 0.967 552 D HN 0.570 nan 8.370 nan 0.000 0.464 553 Q N 1.475 121.135 119.800 -0.235 0.000 2.030 553 Q HA -0.114 4.231 4.340 0.008 0.000 0.204 553 Q C 2.230 178.046 176.000 -0.306 0.000 0.986 553 Q CA 2.669 58.291 55.803 -0.302 0.000 0.843 553 Q CB -0.676 27.646 28.738 -0.694 0.000 0.904 553 Q HN 0.306 nan 8.270 nan 0.000 0.420 554 A N -0.426 122.228 122.820 -0.277 0.000 1.902 554 A HA -0.173 4.151 4.320 0.008 0.000 0.217 554 A C 2.334 179.811 177.584 -0.177 0.000 1.181 554 A CA 1.875 53.785 52.037 -0.212 0.000 0.623 554 A CB -0.812 18.099 19.000 -0.147 0.000 0.818 554 A HN 0.463 nan 8.150 nan 0.000 0.443 555 S N -1.239 114.298 115.700 -0.271 0.000 2.383 555 S HA -0.110 4.365 4.470 0.008 0.000 0.227 555 S C 1.804 176.319 174.600 -0.142 0.000 1.026 555 S CA 1.353 59.393 58.200 -0.267 0.000 0.981 555 S CB -0.512 62.421 63.200 -0.444 0.000 0.818 555 S HN 0.651 nan 8.310 nan 0.000 0.472 556 Y N 1.045 121.269 120.300 -0.126 0.000 2.242 556 Y HA 0.074 4.628 4.550 0.007 0.000 0.291 556 Y C 2.346 178.169 175.900 -0.129 0.000 1.137 556 Y CA 0.431 58.458 58.100 -0.121 0.000 1.181 556 Y CB -0.670 37.696 38.460 -0.156 0.000 0.989 556 Y HN 0.214 nan 8.280 nan 0.000 0.527 557 M N -1.412 118.160 119.600 -0.046 0.000 2.175 557 M HA -0.229 4.256 4.480 0.008 0.000 0.264 557 M C 2.124 178.414 176.300 -0.017 0.000 1.063 557 M CA 1.546 56.776 55.300 -0.116 0.000 1.119 557 M CB -0.406 32.063 32.600 -0.218 0.000 1.377 557 M HN 0.324 nan 8.290 nan 0.000 0.415 558 Y N -0.373 119.871 120.300 -0.094 0.000 2.128 558 Y HA -0.273 4.282 4.550 0.007 0.000 0.284 558 Y C 2.650 178.520 175.900 -0.050 0.000 1.154 558 Y CA 2.184 60.240 58.100 -0.073 0.000 1.149 558 Y CB -0.815 37.574 38.460 -0.118 0.000 0.976 558 Y HN 0.362 nan 8.280 nan 0.000 0.505 559 S N -0.398 115.281 115.700 -0.036 0.000 2.368 559 S HA -0.255 4.219 4.470 0.008 0.000 0.225 559 S C 1.925 176.519 174.600 -0.010 0.000 1.030 559 S CA 1.915 60.064 58.200 -0.085 0.000 0.999 559 S CB -0.859 62.416 63.200 0.125 0.000 0.844 559 S HN 0.733 nan 8.310 nan 0.000 0.459 560 D N 1.147 121.584 120.400 0.063 0.000 2.106 560 D HA -0.144 4.500 4.640 0.008 0.000 0.191 560 D C 2.009 178.283 176.300 -0.043 0.000 0.997 560 D CA 1.702 55.748 54.000 0.076 0.000 0.834 560 D CB -0.452 40.370 40.800 0.038 0.000 0.956 560 D HN 0.411 nan 8.370 nan 0.000 0.448 561 N N -0.959 117.693 118.700 -0.080 0.000 2.120 561 N HA -0.206 4.539 4.740 0.008 0.000 0.188 561 N C 1.761 177.153 175.510 -0.197 0.000 1.024 561 N CA 1.231 54.210 53.050 -0.119 0.000 0.852 561 N CB -0.518 37.967 38.487 -0.002 0.000 1.003 561 N HN 0.459 nan 8.380 nan 0.000 0.424 562 H N 0.107 118.934 119.070 -0.405 0.000 2.321 562 H HA -0.111 4.450 4.556 0.008 0.000 0.300 562 H C 1.508 176.634 175.328 -0.338 0.000 1.087 562 H CA 1.777 57.549 56.048 -0.459 0.000 1.319 562 H CB -0.316 29.014 29.762 -0.719 0.000 1.379 562 H HN 0.183 nan 8.280 nan 0.000 0.501 563 Y N 0.002 120.159 120.300 -0.238 0.000 2.293 563 Y HA -0.067 4.488 4.550 0.008 0.000 0.291 563 Y C 2.579 178.329 175.900 -0.249 0.000 1.137 563 Y CA 0.911 58.872 58.100 -0.231 0.000 1.202 563 Y CB -0.426 38.019 38.460 -0.025 0.000 0.990 563 Y HN 0.207 nan 8.280 nan 0.000 0.537 564 L N -1.069 120.043 121.223 -0.185 0.000 2.093 564 L HA -0.197 4.148 4.340 0.008 0.000 0.208 564 L C 2.608 179.362 176.870 -0.193 0.000 1.085 564 L CA 1.035 55.672 54.840 -0.339 0.000 0.755 564 L CB -0.701 40.760 42.059 -0.997 0.000 0.904 564 L HN 0.210 nan 8.230 nan 0.000 0.435 565 A N -0.200 122.522 122.820 -0.163 0.000 1.902 565 A HA -0.213 4.112 4.320 0.008 0.000 0.217 565 A C 2.157 179.684 177.584 -0.096 0.000 1.181 565 A CA 1.534 53.563 52.037 -0.014 0.000 0.623 565 A CB -0.380 18.604 19.000 -0.027 0.000 0.818 565 A HN 0.429 nan 8.150 nan 0.000 0.443 566 E N -0.706 119.375 120.200 -0.199 0.000 2.077 566 E HA -0.179 4.176 4.350 0.008 0.000 0.193 566 E C 2.082 178.587 176.600 -0.159 0.000 0.989 566 E CA 1.435 57.731 56.400 -0.173 0.000 0.800 566 E CB -0.260 29.331 29.700 -0.181 0.000 0.746 566 E HN 0.666 nan 8.360 nan 0.000 0.452 567 M N 0.274 119.779 119.600 -0.157 0.000 2.175 567 M HA -0.112 4.372 4.480 0.008 0.000 0.264 567 M C 2.479 178.566 176.300 -0.355 0.000 1.063 567 M CA 1.234 56.390 55.300 -0.241 0.000 1.119 567 M CB -0.159 32.366 32.600 -0.125 0.000 1.377 567 M HN 0.107 nan 8.290 nan 0.000 0.415 568 A N -0.090 122.576 122.820 -0.257 0.000 1.902 568 A HA -0.151 4.173 4.320 0.008 0.000 0.217 568 A C 2.179 179.631 177.584 -0.221 0.000 1.181 568 A CA 2.234 54.089 52.037 -0.302 0.000 0.623 568 A CB -1.133 17.878 19.000 0.019 0.000 0.818 568 A HN 0.440 nan 8.150 nan 0.000 0.443 569 T N 0.140 114.606 114.554 -0.147 0.000 2.746 569 T HA -0.107 4.248 4.350 0.008 0.000 0.267 569 T C 1.713 176.331 174.700 -0.136 0.000 1.039 569 T CA 1.565 63.597 62.100 -0.114 0.000 1.142 569 T CB -0.339 68.481 68.868 -0.080 0.000 0.866 569 T HN 0.289 nan 8.240 nan 0.000 0.444 570 I N 1.075 121.537 120.570 -0.181 0.000 2.286 570 I HA -0.039 4.135 4.170 0.008 0.000 0.248 570 I C 1.865 177.866 176.117 -0.193 0.000 1.115 570 I CA 1.112 62.300 61.300 -0.186 0.000 1.392 570 I CB -0.569 37.252 38.000 -0.299 0.000 1.065 570 I HN 0.227 nan 8.210 nan 0.000 0.418 571 L N 0.044 121.108 121.223 -0.266 0.000 2.612 571 L HA 0.232 4.577 4.340 0.008 0.000 0.230 571 L C 1.234 177.990 176.870 -0.190 0.000 1.140 571 L CA 0.370 55.054 54.840 -0.260 0.000 0.896 571 L CB -0.858 40.951 42.059 -0.416 0.000 1.065 571 L HN 0.469 nan 8.230 nan 0.000 0.447 572 G N 1.323 110.032 108.800 -0.150 0.000 2.272 572 G HA2 -0.298 3.666 3.960 0.008 0.000 0.280 572 G HA3 -0.298 3.666 3.960 0.008 0.000 0.280 572 G C 0.161 175.000 174.900 -0.101 0.000 1.067 572 G CA 0.039 45.076 45.100 -0.104 0.000 0.902 572 G HN 0.473 nan 8.290 nan 0.000 0.500 573 K N 0.296 120.624 120.400 -0.120 0.000 2.800 573 K HA 0.253 4.577 4.320 0.008 0.000 0.185 573 K C -1.258 175.307 176.600 -0.058 0.000 1.082 573 K CA -1.451 54.783 56.287 -0.088 0.000 0.978 573 K CB 1.999 34.432 32.500 -0.112 0.000 1.364 573 K HN 0.165 nan 8.250 nan 0.000 0.592 574 P HA -0.218 nan 4.420 nan 0.000 0.215 574 P C 0.651 177.931 177.300 -0.032 0.000 1.153 574 P CA 1.384 64.462 63.100 -0.037 0.000 0.853 574 P CB 0.465 32.145 31.700 -0.034 0.000 0.788 575 E N 0.483 120.662 120.200 -0.036 0.000 2.106 575 E HA -0.148 4.207 4.350 0.008 0.000 0.192 575 E C 2.106 178.665 176.600 -0.067 0.000 0.984 575 E CA 1.011 57.383 56.400 -0.046 0.000 0.806 575 E CB -0.498 29.176 29.700 -0.043 0.000 0.750 575 E HN 0.498 nan 8.360 nan 0.000 0.458 576 E N 0.704 120.873 120.200 -0.052 0.000 2.106 576 E HA -0.103 4.252 4.350 0.008 0.000 0.192 576 E C 2.039 178.612 176.600 -0.046 0.000 0.984 576 E CA 0.885 57.235 56.400 -0.084 0.000 0.806 576 E CB -0.075 29.664 29.700 0.065 0.000 0.750 576 E HN 0.181 nan 8.360 nan 0.000 0.458 577 A N 1.843 124.689 122.820 0.044 0.000 1.902 577 A HA -0.238 4.087 4.320 0.008 0.000 0.217 577 A C 1.955 179.559 177.584 0.033 0.000 1.181 577 A CA 1.539 53.628 52.037 0.086 0.000 0.623 577 A CB -0.307 18.705 19.000 0.021 0.000 0.818 577 A HN 0.056 nan 8.150 nan 0.000 0.443 578 K N -0.568 119.821 120.400 -0.018 0.000 2.063 578 K HA -0.141 4.183 4.320 0.008 0.000 0.208 578 K C 2.313 178.883 176.600 -0.050 0.000 1.048 578 K CA 1.551 57.822 56.287 -0.027 0.000 0.928 578 K CB -0.212 32.267 32.500 -0.035 0.000 0.713 578 K HN 0.394 nan 8.250 nan 0.000 0.442 579 R N -0.226 120.199 120.500 -0.124 0.000 2.081 579 R HA -0.126 4.218 4.340 0.008 0.000 0.235 579 R C 2.236 178.436 176.300 -0.167 0.000 1.131 579 R CA 1.505 57.491 56.100 -0.190 0.000 0.960 579 R CB -0.352 29.756 30.300 -0.319 0.000 0.856 579 R HN 0.240 nan 8.270 nan 0.000 0.436 580 Y N 0.562 120.837 120.300 -0.043 0.000 2.293 580 Y HA -0.127 4.428 4.550 0.008 0.000 0.291 580 Y C 2.489 178.357 175.900 -0.053 0.000 1.137 580 Y CA 0.962 59.026 58.100 -0.060 0.000 1.202 580 Y CB -0.406 37.999 38.460 -0.093 0.000 0.990 580 Y HN 0.010 nan 8.280 nan 0.000 0.537 581 R N 0.416 120.972 120.500 0.093 0.000 2.081 581 R HA -0.220 4.125 4.340 0.008 0.000 0.235 581 R C 2.324 178.649 176.300 0.042 0.000 1.131 581 R CA 1.706 57.834 56.100 0.047 0.000 0.960 581 R CB -0.254 30.065 30.300 0.032 0.000 0.856 581 R HN 0.442 nan 8.270 nan 0.000 0.436 582 Q N 0.489 120.307 119.800 0.030 0.000 2.046 582 Q HA -0.153 4.192 4.340 0.008 0.000 0.200 582 Q C 2.186 178.214 176.000 0.047 0.000 0.975 582 Q CA 1.466 57.286 55.803 0.028 0.000 0.836 582 Q CB -0.038 28.702 28.738 0.003 0.000 0.896 582 Q HN 0.434 nan 8.270 nan 0.000 0.428 583 L N 0.310 121.567 121.223 0.058 0.000 2.046 583 L HA -0.179 4.166 4.340 0.008 0.000 0.208 583 L C 2.635 179.559 176.870 0.090 0.000 1.077 583 L CA 1.031 55.921 54.840 0.084 0.000 0.747 583 L CB -0.707 41.443 42.059 0.151 0.000 0.896 583 L HN 0.291 nan 8.230 nan 0.000 0.432 584 A N -0.271 122.587 122.820 0.064 0.000 1.877 584 A HA -0.292 4.032 4.320 0.008 0.000 0.216 584 A C 2.220 179.942 177.584 0.230 0.000 1.186 584 A CA 1.926 53.976 52.037 0.021 0.000 0.620 584 A CB -0.582 18.273 19.000 -0.240 0.000 0.822 584 A HN 0.382 nan 8.150 nan 0.000 0.443 585 Q N -0.115 119.782 119.800 0.162 0.000 2.096 585 Q HA -0.207 4.138 4.340 0.008 0.000 0.204 585 Q C 2.128 178.205 176.000 0.128 0.000 0.982 585 Q CA 2.297 58.197 55.803 0.162 0.000 0.850 585 Q CB -0.443 28.353 28.738 0.097 0.000 0.901 585 Q HN 0.769 nan 8.270 nan 0.000 0.422 586 Q N -0.589 119.273 119.800 0.103 0.000 2.124 586 Q HA -0.119 4.226 4.340 0.008 0.000 0.202 586 Q C 2.152 178.217 176.000 0.108 0.000 0.977 586 Q CA 1.319 57.175 55.803 0.088 0.000 0.850 586 Q CB -0.088 28.686 28.738 0.059 0.000 0.901 586 Q HN 0.392 nan 8.270 nan 0.000 0.429 587 L N 0.027 121.320 121.223 0.118 0.000 2.056 587 L HA -0.163 4.182 4.340 0.008 0.000 0.207 587 L C 2.487 179.418 176.870 0.102 0.000 1.078 587 L CA 0.919 55.823 54.840 0.107 0.000 0.749 587 L CB -0.491 41.643 42.059 0.125 0.000 0.901 587 L HN 0.206 nan 8.230 nan 0.000 0.433 588 A N -0.192 122.683 122.820 0.093 0.000 1.902 588 A HA -0.241 4.083 4.320 0.008 0.000 0.217 588 A C 1.905 179.478 177.584 -0.019 0.000 1.181 588 A CA 2.003 53.979 52.037 -0.101 0.000 0.623 588 A CB -0.531 18.370 19.000 -0.165 0.000 0.818 588 A HN 0.369 nan 8.150 nan 0.000 0.443 589 D N -1.682 118.746 120.400 0.047 0.000 2.117 589 D HA -0.165 4.480 4.640 0.008 0.000 0.197 589 D C 1.689 178.034 176.300 0.076 0.000 0.987 589 D CA 1.542 55.572 54.000 0.049 0.000 0.829 589 D CB -0.458 40.378 40.800 0.061 0.000 0.961 589 D HN 0.637 nan 8.370 nan 0.000 0.460 590 Y N 0.752 121.048 120.300 -0.007 0.000 2.200 590 Y HA -0.182 4.372 4.550 0.007 0.000 0.290 590 Y C 2.113 178.016 175.900 0.006 0.000 1.137 590 Y CA 0.966 59.066 58.100 -0.001 0.000 1.163 590 Y CB -0.084 38.370 38.460 -0.010 0.000 0.988 590 Y HN -0.164 nan 8.280 nan 0.000 0.518 591 I N 0.830 121.510 120.570 0.182 0.000 2.179 591 I HA -0.336 3.838 4.170 0.008 0.000 0.242 591 I C 1.853 178.065 176.117 0.159 0.000 1.088 591 I CA 1.781 63.144 61.300 0.105 0.000 1.357 591 I CB -1.050 36.908 38.000 -0.070 0.000 1.051 591 I HN 0.267 nan 8.210 nan 0.000 0.409 592 N N -0.938 117.824 118.700 0.103 0.000 2.171 592 N HA -0.125 4.620 4.740 0.008 0.000 0.184 592 N C 1.672 177.221 175.510 0.066 0.000 1.021 592 N CA 1.631 54.751 53.050 0.117 0.000 0.854 592 N CB -0.170 38.312 38.487 -0.008 0.000 0.994 592 N HN 0.279 nan 8.380 nan 0.000 0.426 593 T N -0.536 114.015 114.554 -0.006 0.000 2.812 593 T HA -0.033 4.321 4.350 0.008 0.000 0.264 593 T C 1.961 176.604 174.700 -0.095 0.000 1.042 593 T CA 0.799 62.867 62.100 -0.053 0.000 1.140 593 T CB -0.185 68.626 68.868 -0.095 0.000 0.870 593 T HN 0.378 nan 8.240 nan 0.000 0.445 594 c N 0.473 118.954 118.600 -0.198 0.000 2.518 594 c HA 0.338 4.913 4.570 0.008 0.000 0.283 594 c C 2.530 176.584 174.090 -0.060 0.000 1.351 594 c CA -0.036 56.143 56.329 -0.250 0.000 1.745 594 c CB -0.786 41.312 42.510 -0.687 0.000 2.107 594 c HN 0.501 nan 8.230 nan 0.000 0.502 595 M N -0.716 118.923 119.600 0.065 0.000 2.502 595 M HA 0.202 4.687 4.480 0.008 0.000 0.243 595 M C 0.134 176.588 176.300 0.257 0.000 1.130 595 M CA 0.403 55.817 55.300 0.190 0.000 1.055 595 M CB 0.188 32.925 32.600 0.228 0.000 1.457 595 M HN 0.239 nan 8.290 nan 0.000 0.488 596 F N 1.683 121.626 119.950 -0.012 0.000 2.411 596 F HA 0.295 4.827 4.527 0.008 0.000 0.350 596 F C -0.223 175.500 175.800 -0.128 0.000 1.114 596 F CA -1.251 56.559 58.000 -0.317 0.000 1.135 596 F CB 0.564 39.230 39.000 -0.557 0.000 1.120 596 F HN -0.123 nan 8.300 nan 0.000 0.495 597 D N 8.542 128.479 120.400 -0.771 0.000 2.392 597 D HA 0.330 4.975 4.640 0.008 0.000 0.228 597 D C -1.869 173.951 176.300 -0.801 0.000 1.074 597 D CA -2.534 51.172 54.000 -0.490 0.000 0.838 597 D CB 1.686 42.378 40.800 -0.179 0.000 1.067 597 D HN 0.244 nan 8.370 nan 0.000 0.511 598 P HA -0.110 nan 4.420 nan 0.000 0.223 598 P C 1.029 178.257 177.300 -0.120 0.000 1.151 598 P CA 0.778 63.778 63.100 -0.166 0.000 0.787 598 P CB 0.361 32.104 31.700 0.072 0.000 0.788 599 T N 0.373 114.854 114.554 -0.122 0.000 2.701 599 T HA -0.088 4.267 4.350 0.008 0.000 0.263 599 T C 1.777 176.444 174.700 -0.056 0.000 1.040 599 T CA 2.485 64.543 62.100 -0.070 0.000 1.147 599 T CB -1.103 67.724 68.868 -0.069 0.000 0.865 599 T HN 0.332 nan 8.240 nan 0.000 0.426 600 T N -0.404 114.112 114.554 -0.062 0.000 3.107 600 T HA 0.174 4.529 4.350 0.008 0.000 0.249 600 T C 0.513 175.223 174.700 0.018 0.000 1.096 600 T CA -0.108 61.997 62.100 0.008 0.000 1.012 600 T CB -0.422 68.504 68.868 0.097 0.000 0.977 600 T HN 0.438 nan 8.240 nan 0.000 0.527 601 Q N 0.379 120.114 119.800 -0.109 0.000 2.439 601 Q HA -0.154 4.190 4.340 0.008 0.000 0.325 601 Q C -0.933 175.101 176.000 0.058 0.000 1.372 601 Q CA 0.260 56.016 55.803 -0.078 0.000 0.909 601 Q CB -1.692 27.117 28.738 0.117 0.000 1.167 601 Q HN 0.682 nan 8.270 nan 0.000 0.418 602 F N -1.136 118.516 119.950 -0.497 0.000 2.741 602 F HA 0.486 5.018 4.527 0.008 0.000 0.313 602 F C -1.230 174.239 175.800 -0.550 0.000 1.153 602 F CA -1.048 56.747 58.000 -0.342 0.000 0.931 602 F CB 1.160 39.990 39.000 -0.284 0.000 1.335 602 F HN -0.036 nan 8.300 nan 0.000 0.460 603 Y N 1.586 121.466 120.300 -0.700 0.000 2.387 603 Y HA 0.633 5.188 4.550 0.007 0.000 0.330 603 Y C -0.997 174.529 175.900 -0.622 0.000 1.133 603 Y CA -0.397 57.439 58.100 -0.441 0.000 1.152 603 Y CB 1.334 39.571 38.460 -0.372 0.000 1.215 603 Y HN 0.385 nan 8.280 nan 0.000 0.466 604 Y N -0.686 119.675 120.300 0.102 0.000 2.655 604 Y HA 0.283 4.837 4.550 0.007 0.000 0.336 604 Y C -0.575 175.334 175.900 0.016 0.000 1.154 604 Y CA -1.604 56.525 58.100 0.049 0.000 1.055 604 Y CB 1.054 39.530 38.460 0.026 0.000 1.295 604 Y HN 0.454 nan 8.280 nan 0.000 0.465 605 D N 0.720 121.216 120.400 0.161 0.000 2.371 605 D HA 0.422 5.066 4.640 0.008 0.000 0.242 605 D C -0.740 175.612 176.300 0.086 0.000 1.218 605 D CA 0.126 54.177 54.000 0.084 0.000 0.945 605 D CB 1.064 41.884 40.800 0.034 0.000 1.137 605 D HN 0.385 nan 8.370 nan 0.000 0.464 606 V N -1.949 118.011 119.914 0.077 0.000 2.823 606 V HA 0.611 4.736 4.120 0.008 0.000 0.312 606 V C -0.137 175.989 176.094 0.054 0.000 1.072 606 V CA -1.103 61.230 62.300 0.055 0.000 0.937 606 V CB 1.905 33.772 31.823 0.073 0.000 1.013 606 V HN 0.337 nan 8.190 nan 0.000 0.430 607 R N 2.423 122.940 120.500 0.027 0.000 2.560 607 R HA 0.592 4.936 4.340 0.008 0.000 0.270 607 R C -0.524 175.805 176.300 0.049 0.000 1.074 607 R CA -0.559 55.561 56.100 0.033 0.000 1.140 607 R CB 1.312 31.617 30.300 0.007 0.000 1.073 607 R HN 0.739 nan 8.270 nan 0.000 0.527 608 I N 2.892 123.496 120.570 0.056 0.000 2.282 608 I HA 0.079 4.253 4.170 0.008 0.000 0.290 608 I C 0.335 176.485 176.117 0.053 0.000 1.090 608 I CA -0.013 61.327 61.300 0.066 0.000 1.231 608 I CB 0.571 38.618 38.000 0.079 0.000 1.434 608 I HN 0.452 nan 8.210 nan 0.000 0.487 609 E N 4.317 124.543 120.200 0.042 0.000 2.391 609 E HA 0.011 4.365 4.350 0.008 0.000 0.255 609 E C 0.473 177.094 176.600 0.036 0.000 1.187 609 E CA -0.563 55.855 56.400 0.030 0.000 0.941 609 E CB 0.945 30.654 29.700 0.015 0.000 1.010 609 E HN 0.450 nan 8.360 nan 0.000 0.458 610 D N 0.857 121.274 120.400 0.028 0.000 2.190 610 D HA -0.148 4.497 4.640 0.008 0.000 0.200 610 D C 0.205 176.521 176.300 0.027 0.000 0.992 610 D CA 1.600 55.618 54.000 0.030 0.000 0.854 610 D CB 0.058 40.871 40.800 0.021 0.000 0.936 610 D HN 0.336 nan 8.370 nan 0.000 0.462 611 K N 0.461 120.873 120.400 0.020 0.000 2.468 611 K HA 0.494 4.819 4.320 0.008 0.000 0.252 611 K C -2.969 173.641 176.600 0.017 0.000 0.932 611 K CA -1.703 54.594 56.287 0.016 0.000 0.794 611 K CB 2.729 35.235 32.500 0.009 0.000 1.241 611 K HN -0.261 nan 8.250 nan 0.000 0.428 612 P HA 0.112 nan 4.420 nan 0.000 0.272 612 P C -0.376 176.930 177.300 0.011 0.000 1.240 612 P CA -0.495 62.620 63.100 0.024 0.000 0.791 612 P CB 0.763 32.482 31.700 0.032 0.000 0.978 613 L N 0.558 121.784 121.223 0.005 0.000 2.456 613 L HA 0.282 4.627 4.340 0.008 0.000 0.257 613 L C 2.069 178.934 176.870 -0.008 0.000 1.162 613 L CA -0.624 54.211 54.840 -0.009 0.000 0.808 613 L CB 0.091 42.135 42.059 -0.024 0.000 1.136 613 L HN 0.398 nan 8.230 nan 0.000 0.466 614 A N 1.416 124.228 122.820 -0.012 0.000 1.978 614 A HA -0.192 4.132 4.320 0.008 0.000 0.220 614 A C 1.614 179.191 177.584 -0.012 0.000 1.170 614 A CA 1.891 53.922 52.037 -0.010 0.000 0.636 614 A CB -0.833 18.160 19.000 -0.012 0.000 0.810 614 A HN 0.940 nan 8.150 nan 0.000 0.448 615 N N -1.197 117.489 118.700 -0.023 0.000 2.461 615 N HA 0.243 4.988 4.740 0.008 0.000 0.188 615 N C 1.021 176.514 175.510 -0.028 0.000 1.134 615 N CA 1.197 54.228 53.050 -0.031 0.000 0.878 615 N CB -0.369 38.088 38.487 -0.051 0.000 0.972 615 N HN 0.774 nan 8.380 nan 0.000 0.456 616 G N -1.143 107.652 108.800 -0.008 0.000 2.176 616 G HA2 -0.293 3.672 3.960 0.008 0.000 0.253 616 G HA3 -0.293 3.672 3.960 0.008 0.000 0.253 616 G C 0.027 174.957 174.900 0.051 0.000 0.979 616 G CA 0.148 45.266 45.100 0.030 0.000 0.641 616 G HN 0.503 nan 8.290 nan 0.000 0.530 617 c N 1.126 119.697 118.600 -0.048 0.000 2.644 617 c HA 0.616 5.191 4.570 0.008 0.000 0.417 617 c C 2.332 176.448 174.090 0.043 0.000 1.304 617 c CA 0.396 56.661 56.329 -0.107 0.000 2.035 617 c CB 0.768 43.143 42.510 -0.226 0.000 2.673 617 c HN 0.907 nan 8.230 nan 0.000 0.602 618 A N 2.324 125.240 122.820 0.159 0.000 2.015 618 A HA 0.418 4.743 4.320 0.008 0.000 0.219 618 A C 1.094 178.717 177.584 0.065 0.000 1.163 618 A CA 1.456 53.570 52.037 0.129 0.000 0.646 618 A CB -0.392 18.710 19.000 0.170 0.000 0.806 618 A HN 1.375 nan 8.150 nan 0.000 0.448 619 G N -1.653 107.170 108.800 0.038 0.000 2.441 619 G HA2 0.446 4.411 3.960 0.008 0.000 0.294 619 G HA3 0.446 4.411 3.960 0.008 0.000 0.294 619 G C -1.328 173.561 174.900 -0.019 0.000 1.393 619 G CA -0.914 44.191 45.100 0.008 0.000 0.796 619 G HN 0.152 nan 8.290 nan 0.000 0.494 620 K N 1.265 121.645 120.400 -0.034 0.000 2.154 620 K HA 0.419 4.744 4.320 0.008 0.000 0.264 620 K C -2.165 174.399 176.600 -0.060 0.000 1.008 620 K CA -1.356 54.897 56.287 -0.056 0.000 0.937 620 K CB 1.222 33.680 32.500 -0.070 0.000 1.002 620 K HN 0.283 nan 8.250 nan 0.000 0.469 621 P HA -0.011 nan 4.420 nan 0.000 0.268 621 P C -0.285 176.910 177.300 -0.175 0.000 1.205 621 P CA -0.012 63.051 63.100 -0.061 0.000 0.771 621 P CB 0.393 32.073 31.700 -0.034 0.000 0.858 622 I N 4.180 124.660 120.570 -0.150 0.000 2.280 622 I HA -0.049 4.126 4.170 0.008 0.000 0.287 622 I C 1.966 177.833 176.117 -0.416 0.000 1.121 622 I CA -0.163 61.000 61.300 -0.228 0.000 1.798 622 I CB -1.197 36.708 38.000 -0.158 0.000 1.489 622 I HN 0.189 nan 8.210 nan 0.000 0.805 623 V N 2.295 121.824 119.914 -0.642 0.000 2.490 623 V HA -0.197 3.928 4.120 0.008 0.000 0.250 623 V C 2.141 177.997 176.094 -0.396 0.000 1.061 623 V CA 1.662 63.417 62.300 -0.908 0.000 1.064 623 V CB -0.715 30.681 31.823 -0.712 0.000 0.670 623 V HN 0.641 nan 8.190 nan 0.000 0.461 624 E N 1.746 121.787 120.200 -0.265 0.000 2.265 624 E HA -0.269 4.085 4.350 0.008 0.000 0.196 624 E C 2.015 178.514 176.600 -0.168 0.000 0.996 624 E CA 1.498 57.831 56.400 -0.111 0.000 0.832 624 E CB -0.528 29.146 29.700 -0.043 0.000 0.756 624 E HN 0.679 nan 8.360 nan 0.000 0.491 625 R N 0.905 121.182 120.500 -0.372 0.000 2.310 625 R HA 0.183 4.527 4.340 0.008 0.000 0.202 625 R C 0.721 177.034 176.300 0.022 0.000 0.933 625 R CA 0.461 56.256 56.100 -0.509 0.000 1.054 625 R CB 0.218 30.081 30.300 -0.727 0.000 0.985 625 R HN 0.314 nan 8.270 nan 0.000 0.489 626 G N 1.606 110.468 108.800 0.104 0.000 2.746 626 G HA2 -0.249 3.716 3.960 0.008 0.000 0.685 626 G HA3 -0.249 3.716 3.960 0.008 0.000 0.685 626 G C -1.059 174.052 174.900 0.353 0.000 1.350 626 G CA -0.910 44.326 45.100 0.227 0.000 0.837 626 G HN 0.145 nan 8.290 nan 0.000 0.564 627 K N 0.124 120.681 120.400 0.262 0.000 2.144 627 K HA 0.640 4.964 4.320 0.008 0.000 0.270 627 K C 0.704 177.533 176.600 0.382 0.000 1.005 627 K CA 0.150 56.580 56.287 0.238 0.000 0.932 627 K CB 1.602 33.983 32.500 -0.198 0.000 1.021 627 K HN 1.088 nan 8.250 nan 0.000 0.462 628 G N 0.965 110.047 108.800 0.470 0.000 2.727 628 G HA2 0.292 4.257 3.960 0.008 0.000 0.289 628 G HA3 0.292 4.257 3.960 0.008 0.000 0.289 628 G C -2.355 172.509 174.900 -0.060 0.000 1.418 628 G CA -1.018 44.290 45.100 0.347 0.000 0.818 628 G HN 0.279 nan 8.290 nan 0.000 0.486 629 P HA -0.098 nan 4.420 nan 0.000 0.222 629 P C 1.340 177.911 177.300 -1.216 0.000 1.147 629 P CA 1.173 63.386 63.100 -1.479 0.000 0.790 629 P CB 0.217 31.590 31.700 -0.544 0.000 0.780 630 E N 0.604 120.483 120.200 -0.534 0.000 2.265 630 E HA -0.128 4.227 4.350 0.008 0.000 0.196 630 E C 2.097 178.387 176.600 -0.516 0.000 0.996 630 E CA 1.562 57.712 56.400 -0.417 0.000 0.832 630 E CB -1.685 27.890 29.700 -0.210 0.000 0.756 630 E HN 0.217 nan 8.360 nan 0.000 0.491 631 G N 1.253 109.708 108.800 -0.576 0.000 2.448 631 G HA2 -0.219 3.746 3.960 0.008 0.000 0.219 631 G HA3 -0.219 3.746 3.960 0.008 0.000 0.219 631 G C 1.052 175.527 174.900 -0.709 0.000 1.127 631 G CA 0.721 45.304 45.100 -0.862 0.000 0.766 631 G HN 0.586 nan 8.290 nan 0.000 0.552 632 W N -0.675 120.378 121.300 -0.411 0.000 3.239 632 W HA 0.575 5.240 4.660 0.007 0.000 0.348 632 W C 1.732 178.096 176.519 -0.258 0.000 1.183 632 W CA -0.318 56.839 57.345 -0.312 0.000 1.819 632 W CB -0.305 29.031 29.460 -0.207 0.000 1.091 632 W HN 0.005 nan 8.180 nan 0.000 0.629 633 S N 2.029 117.548 115.700 -0.302 0.000 2.382 633 S HA -0.077 4.397 4.470 0.008 0.000 0.228 633 S C -0.477 173.938 174.600 -0.308 0.000 1.027 633 S CA 1.613 59.636 58.200 -0.295 0.000 0.991 633 S CB -0.977 61.912 63.200 -0.517 0.000 0.823 633 S HN 0.072 nan 8.310 nan 0.000 0.469 634 P HA 0.011 nan 4.420 nan 0.000 0.220 634 P C 1.016 178.121 177.300 -0.326 0.000 1.148 634 P CA 0.684 63.438 63.100 -0.578 0.000 0.803 634 P CB 0.046 31.052 31.700 -1.158 0.000 0.782 635 L N -2.264 118.850 121.223 -0.181 0.000 2.068 635 L HA -0.031 4.313 4.340 0.008 0.000 0.204 635 L C 2.229 179.214 176.870 0.192 0.000 1.076 635 L CA 1.504 56.367 54.840 0.038 0.000 0.753 635 L CB -1.623 40.441 42.059 0.007 0.000 0.910 635 L HN -0.080 nan 8.230 nan 0.000 0.439 636 F N 0.861 120.816 119.950 0.008 0.000 2.126 636 F HA -0.222 4.309 4.527 0.008 0.000 0.299 636 F C 2.212 178.003 175.800 -0.015 0.000 1.096 636 F CA 1.664 59.659 58.000 -0.009 0.000 1.255 636 F CB -0.415 38.556 39.000 -0.050 0.000 0.997 636 F HN 0.177 nan 8.300 nan 0.000 0.479 637 N N 0.194 118.694 118.700 -0.333 0.000 2.467 637 N HA 0.063 4.807 4.740 0.008 0.000 0.184 637 N C 1.490 176.919 175.510 -0.134 0.000 1.106 637 N CA 1.039 53.882 53.050 -0.347 0.000 0.892 637 N CB -0.067 38.319 38.487 -0.169 0.000 0.969 637 N HN 0.512 nan 8.380 nan 0.000 0.454 638 G N 0.380 109.116 108.800 -0.107 0.000 2.136 638 G HA2 -0.306 3.659 3.960 0.008 0.000 0.242 638 G HA3 -0.306 3.659 3.960 0.008 0.000 0.242 638 G C 0.893 175.648 174.900 -0.241 0.000 0.989 638 G CA 0.446 45.516 45.100 -0.050 0.000 0.682 638 G HN 0.505 nan 8.290 nan 0.000 0.522 639 A N -0.609 121.873 122.820 -0.564 0.000 2.081 639 A HA 0.755 5.080 4.320 0.008 0.000 0.214 639 A C 1.784 179.108 177.584 -0.432 0.000 1.158 639 A CA 1.698 53.167 52.037 -0.946 0.000 0.724 639 A CB -0.115 18.241 19.000 -1.074 0.000 0.826 639 A HN 2.112 nan 8.150 nan 0.000 0.463 640 A N 0.798 123.450 122.820 -0.281 0.000 2.445 640 A HA 0.475 4.799 4.320 0.008 0.000 0.242 640 A C 0.915 178.425 177.584 -0.123 0.000 1.075 640 A CA 0.430 52.328 52.037 -0.232 0.000 0.777 640 A CB -0.368 18.394 19.000 -0.397 0.000 1.013 640 A HN 0.719 nan 8.150 nan 0.000 0.493 641 T N -0.143 114.322 114.554 -0.148 0.000 2.828 641 T HA 0.278 4.633 4.350 0.008 0.000 0.290 641 T C 0.938 175.579 174.700 -0.097 0.000 1.019 641 T CA 0.197 62.247 62.100 -0.084 0.000 1.031 641 T CB 0.892 69.681 68.868 -0.132 0.000 1.001 641 T HN 0.644 nan 8.240 nan 0.000 0.531 642 Q N 1.332 121.153 119.800 0.036 0.000 2.096 642 Q HA -0.045 4.300 4.340 0.008 0.000 0.204 642 Q C 2.382 178.360 176.000 -0.037 0.000 0.982 642 Q CA 2.319 58.174 55.803 0.087 0.000 0.850 642 Q CB -1.130 27.681 28.738 0.122 0.000 0.901 642 Q HN 0.927 nan 8.270 nan 0.000 0.422 643 A N 0.486 123.258 122.820 -0.079 0.000 1.883 643 A HA -0.234 4.090 4.320 0.008 0.000 0.217 643 A C 1.910 179.367 177.584 -0.211 0.000 1.186 643 A CA 1.855 53.828 52.037 -0.106 0.000 0.624 643 A CB -0.833 18.100 19.000 -0.111 0.000 0.822 643 A HN 0.515 nan 8.150 nan 0.000 0.444 644 N N 0.348 118.806 118.700 -0.403 0.000 2.244 644 N HA -0.043 4.702 4.740 0.008 0.000 0.183 644 N C 1.797 177.099 175.510 -0.346 0.000 1.016 644 N CA 1.462 54.090 53.050 -0.702 0.000 0.866 644 N CB -0.591 37.248 38.487 -1.079 0.000 0.980 644 N HN 0.480 nan 8.380 nan 0.000 0.430 645 A N 1.251 123.862 122.820 -0.347 0.000 1.902 645 A HA -0.137 4.187 4.320 0.008 0.000 0.217 645 A C 1.739 179.230 177.584 -0.156 0.000 1.181 645 A CA 1.514 53.319 52.037 -0.386 0.000 0.623 645 A CB -0.414 18.034 19.000 -0.920 0.000 0.818 645 A HN 0.113 nan 8.150 nan 0.000 0.443 646 D N 0.273 120.645 120.400 -0.046 0.000 2.123 646 D HA -0.102 4.543 4.640 0.008 0.000 0.196 646 D C 2.224 178.517 176.300 -0.011 0.000 0.992 646 D CA 1.573 55.598 54.000 0.040 0.000 0.833 646 D CB -0.448 40.421 40.800 0.114 0.000 0.954 646 D HN 0.438 nan 8.370 nan 0.000 0.455 647 A N 0.694 123.528 122.820 0.023 0.000 1.877 647 A HA -0.128 4.196 4.320 0.008 0.000 0.216 647 A C 2.575 180.246 177.584 0.145 0.000 1.186 647 A CA 1.243 53.347 52.037 0.112 0.000 0.620 647 A CB -0.775 18.372 19.000 0.244 0.000 0.822 647 A HN 0.144 nan 8.150 nan 0.000 0.443 648 V N -0.279 119.722 119.914 0.146 0.000 2.343 648 V HA -0.222 3.902 4.120 0.008 0.000 0.247 648 V C 2.561 178.735 176.094 0.134 0.000 1.051 648 V CA 1.925 64.361 62.300 0.227 0.000 1.036 648 V CB -0.718 31.178 31.823 0.122 0.000 0.654 648 V HN 0.368 nan 8.190 nan 0.000 0.451 649 V N -0.264 119.602 119.914 -0.081 0.000 2.407 649 V HA -0.277 3.847 4.120 0.008 0.000 0.248 649 V C 2.424 178.428 176.094 -0.150 0.000 1.055 649 V CA 1.947 64.099 62.300 -0.246 0.000 1.049 649 V CB -0.714 30.690 31.823 -0.698 0.000 0.662 649 V HN 0.553 nan 8.190 nan 0.000 0.455 650 K N -0.363 119.991 120.400 -0.078 0.000 2.097 650 K HA -0.125 4.199 4.320 0.008 0.000 0.206 650 K C 2.049 178.679 176.600 0.050 0.000 1.049 650 K CA 1.335 57.614 56.287 -0.013 0.000 0.933 650 K CB -0.323 32.189 32.500 0.020 0.000 0.717 650 K HN 0.352 nan 8.250 nan 0.000 0.442 651 V N 1.516 121.503 119.914 0.121 0.000 2.358 651 V HA -0.236 3.889 4.120 0.008 0.000 0.246 651 V C 2.212 178.454 176.094 0.246 0.000 1.047 651 V CA 1.607 64.007 62.300 0.167 0.000 1.035 651 V CB -0.366 31.586 31.823 0.214 0.000 0.658 651 V HN 0.330 nan 8.190 nan 0.000 0.452 652 M N -0.563 119.176 119.600 0.231 0.000 2.149 652 M HA -0.158 4.327 4.480 0.008 0.000 0.261 652 M C 1.910 178.267 176.300 0.095 0.000 1.064 652 M CA 1.893 57.282 55.300 0.147 0.000 1.102 652 M CB -0.389 32.129 32.600 -0.137 0.000 1.369 652 M HN 0.250 nan 8.290 nan 0.000 0.408 653 L N -0.674 120.567 121.223 0.030 0.000 2.599 653 L HA 0.022 4.367 4.340 0.008 0.000 0.230 653 L C 0.560 177.462 176.870 0.053 0.000 1.141 653 L CA -0.269 54.583 54.840 0.021 0.000 0.877 653 L CB -0.462 41.585 42.059 -0.020 0.000 1.009 653 L HN 0.126 nan 8.230 nan 0.000 0.447 654 D N 0.913 121.357 120.400 0.073 0.000 2.343 654 D HA 0.083 4.728 4.640 0.008 0.000 0.255 654 D C -1.686 174.644 176.300 0.050 0.000 1.187 654 D CA -1.952 52.078 54.000 0.051 0.000 0.875 654 D CB 1.834 42.655 40.800 0.035 0.000 1.136 654 D HN -0.115 nan 8.370 nan 0.000 0.469 655 P HA -0.064 nan 4.420 nan 0.000 0.225 655 P C 0.588 177.886 177.300 -0.002 0.000 1.148 655 P CA 1.075 64.200 63.100 0.040 0.000 0.779 655 P CB 0.301 32.026 31.700 0.043 0.000 0.780 656 K N -1.172 119.211 120.400 -0.029 0.000 2.426 656 K HA 0.023 4.347 4.320 0.008 0.000 0.193 656 K C 1.327 177.838 176.600 -0.148 0.000 1.028 656 K CA 0.614 56.854 56.287 -0.077 0.000 1.047 656 K CB 0.228 32.692 32.500 -0.061 0.000 0.821 656 K HN 0.176 nan 8.250 nan 0.000 0.513 657 E N -0.535 119.580 120.200 -0.143 0.000 2.357 657 E HA 0.126 4.481 4.350 0.008 0.000 0.190 657 E C 1.015 177.364 176.600 -0.418 0.000 1.022 657 E CA 0.670 56.879 56.400 -0.317 0.000 1.068 657 E CB 0.009 29.585 29.700 -0.206 0.000 1.465 657 E HN 0.100 nan 8.360 nan 0.000 0.503 658 F N 0.488 120.471 119.950 0.054 0.000 2.767 658 F HA 0.256 4.787 4.527 0.007 0.000 0.323 658 F C 0.991 176.862 175.800 0.118 0.000 1.091 658 F CA -0.385 57.696 58.000 0.135 0.000 1.192 658 F CB 0.479 39.606 39.000 0.211 0.000 1.056 658 F HN -0.103 nan 8.300 nan 0.000 0.571 659 N N 1.784 120.620 118.700 0.226 0.000 3.245 659 N HA 0.048 4.793 4.740 0.008 0.000 0.296 659 N C 0.001 175.611 175.510 0.167 0.000 1.254 659 N CA 0.183 53.337 53.050 0.174 0.000 1.190 659 N CB -0.195 38.361 38.487 0.115 0.000 1.460 659 N HN 0.181 nan 8.380 nan 0.000 0.538 660 T N -2.263 112.418 114.554 0.212 0.000 2.849 660 T HA 0.183 4.537 4.350 0.008 0.000 0.276 660 T C 1.429 176.295 174.700 0.276 0.000 0.971 660 T CA -0.714 61.520 62.100 0.224 0.000 0.949 660 T CB 0.406 69.419 68.868 0.241 0.000 1.093 660 T HN 0.136 nan 8.240 nan 0.000 0.545 661 F N 1.190 121.219 119.950 0.132 0.000 2.085 661 F HA -0.061 4.471 4.527 0.008 0.000 0.299 661 F C 0.702 176.642 175.800 0.234 0.000 1.096 661 F CA 1.482 59.563 58.000 0.136 0.000 1.227 661 F CB -0.279 38.712 39.000 -0.016 0.000 0.983 661 F HN 0.282 nan 8.300 nan 0.000 0.482 662 V N 2.405 122.427 119.914 0.181 0.000 2.326 662 V HA 0.309 4.433 4.120 0.008 0.000 0.281 662 V C -2.239 173.992 176.094 0.228 0.000 1.015 662 V CA -1.899 60.427 62.300 0.044 0.000 0.823 662 V CB 1.133 32.927 31.823 -0.049 0.000 1.009 662 V HN -0.062 nan 8.190 nan 0.000 0.436 663 P HA 0.330 nan 4.420 nan 0.000 0.272 663 P C 0.139 177.748 177.300 0.516 0.000 1.240 663 P CA -0.230 63.101 63.100 0.385 0.000 0.791 663 P CB 0.355 32.260 31.700 0.343 0.000 0.978 664 L N -2.018 119.477 121.223 0.453 0.000 3.533 664 L HA -0.193 4.152 4.340 0.008 0.000 0.477 664 L C 0.874 178.184 176.870 0.733 0.000 1.306 664 L CA 0.163 55.279 54.840 0.461 0.000 0.850 664 L CB -2.408 39.661 42.059 0.017 0.000 1.654 664 L HN 0.576 nan 8.230 nan 0.000 0.863 665 G N -0.417 108.845 108.800 0.771 0.000 2.621 665 G HA2 0.275 4.240 3.960 0.008 0.000 0.271 665 G HA3 0.275 4.240 3.960 0.008 0.000 0.271 665 G C 0.946 176.292 174.900 0.743 0.000 1.236 665 G CA 0.371 45.885 45.100 0.691 0.000 0.958 665 G HN 0.336 nan 8.290 nan 0.000 0.512 666 T N -1.444 113.473 114.554 0.605 0.000 3.160 666 T HA 0.420 4.775 4.350 0.008 0.000 0.257 666 T C 0.533 175.553 174.700 0.533 0.000 1.147 666 T CA 1.171 63.600 62.100 0.548 0.000 1.064 666 T CB -0.680 68.503 68.868 0.525 0.000 0.949 666 T HN 1.210 nan 8.240 nan 0.000 0.526 667 A N 0.117 123.298 122.820 0.602 0.000 2.532 667 A HA 0.756 5.080 4.320 0.008 0.000 0.296 667 A C -0.187 177.615 177.584 0.364 0.000 1.058 667 A CA -0.435 51.910 52.037 0.513 0.000 0.729 667 A CB 0.727 20.018 19.000 0.485 0.000 1.285 667 A HN 0.488 nan 8.150 nan 0.000 0.396 668 A N 1.258 124.007 122.820 -0.118 0.000 2.406 668 A HA 0.515 4.839 4.320 0.008 0.000 0.243 668 A C 1.143 178.461 177.584 -0.445 0.000 1.082 668 A CA -0.092 51.476 52.037 -0.781 0.000 0.786 668 A CB -0.142 18.189 19.000 -1.117 0.000 1.029 668 A HN 1.232 nan 8.150 nan 0.000 0.495 669 L N 0.869 121.710 121.223 -0.635 0.000 2.187 669 L HA -0.184 4.161 4.340 0.008 0.000 0.213 669 L C 2.584 179.158 176.870 -0.494 0.000 1.100 669 L CA 1.922 56.236 54.840 -0.878 0.000 0.765 669 L CB -0.691 41.011 42.059 -0.595 0.000 0.904 669 L HN 0.996 nan 8.230 nan 0.000 0.437 670 T N -4.223 110.147 114.554 -0.306 0.000 3.113 670 T HA -0.033 4.322 4.350 0.008 0.000 0.256 670 T C 0.977 175.668 174.700 -0.014 0.000 1.131 670 T CA -0.294 61.723 62.100 -0.138 0.000 1.074 670 T CB -0.406 68.385 68.868 -0.129 0.000 0.944 670 T HN 0.149 nan 8.240 nan 0.000 0.516 671 N N 2.863 121.578 118.700 0.024 0.000 2.454 671 N HA 0.079 4.824 4.740 0.008 0.000 0.260 671 N C -1.895 173.761 175.510 0.244 0.000 1.218 671 N CA -1.435 51.721 53.050 0.177 0.000 0.904 671 N CB 1.622 40.260 38.487 0.250 0.000 1.065 671 N HN 0.015 nan 8.380 nan 0.000 0.462 672 P HA -0.066 nan 4.420 nan 0.000 0.219 672 P C 0.112 177.514 177.300 0.170 0.000 1.146 672 P CA 1.135 64.404 63.100 0.282 0.000 0.808 672 P CB 0.255 32.224 31.700 0.450 0.000 0.779 673 A N -2.096 120.838 122.820 0.190 0.000 2.423 673 A HA 0.190 4.514 4.320 0.008 0.000 0.246 673 A C 0.370 178.054 177.584 0.167 0.000 1.278 673 A CA -0.594 51.491 52.037 0.080 0.000 0.903 673 A CB -1.259 17.760 19.000 0.031 0.000 0.997 673 A HN 0.103 nan 8.150 nan 0.000 0.510 674 F N 1.046 121.058 119.950 0.102 0.000 2.607 674 F HA 0.408 4.940 4.527 0.008 0.000 0.374 674 F C 0.622 176.476 175.800 0.091 0.000 1.104 674 F CA 0.786 58.850 58.000 0.107 0.000 1.296 674 F CB 0.565 39.614 39.000 0.081 0.000 1.085 674 F HN 0.113 nan 8.300 nan 0.000 0.584 675 G N 4.408 112.616 108.800 -0.987 0.000 2.668 675 G HA2 0.500 4.464 3.960 0.008 0.000 0.284 675 G HA3 0.500 4.464 3.960 0.008 0.000 0.284 675 G C -0.014 174.338 174.900 -0.913 0.000 1.456 675 G CA -0.235 44.443 45.100 -0.704 0.000 1.214 675 G HN 1.074 nan 8.290 nan 0.000 0.568 676 A N 1.580 123.957 122.820 -0.739 0.000 2.076 676 A HA 0.001 4.325 4.320 0.008 0.000 0.220 676 A C 1.485 178.996 177.584 -0.122 0.000 1.160 676 A CA 1.758 53.621 52.037 -0.291 0.000 0.653 676 A CB 0.055 19.082 19.000 0.045 0.000 0.801 676 A HN 0.491 nan 8.150 nan 0.000 0.455 677 D N -0.640 119.694 120.400 -0.109 0.000 2.395 677 D HA 0.168 4.813 4.640 0.008 0.000 0.213 677 D C -0.196 176.125 176.300 0.035 0.000 1.110 677 D CA -0.077 53.909 54.000 -0.023 0.000 0.835 677 D CB 0.269 41.064 40.800 -0.009 0.000 0.965 677 D HN 0.214 nan 8.370 nan 0.000 0.505 678 I N 1.763 122.333 120.570 -0.001 0.000 2.352 678 I HA -0.008 4.167 4.170 0.008 0.000 0.290 678 I C 1.537 177.784 176.117 0.215 0.000 1.036 678 I CA -0.559 60.801 61.300 0.100 0.000 1.336 678 I CB 0.252 38.279 38.000 0.044 0.000 1.407 678 I HN -0.090 nan 8.210 nan 0.000 0.497 679 Y N 5.392 125.723 120.300 0.051 0.000 2.030 679 Y HA -0.239 4.315 4.550 0.007 0.000 0.272 679 Y C 1.520 177.416 175.900 -0.006 0.000 1.185 679 Y CA 2.276 60.399 58.100 0.039 0.000 1.120 679 Y CB -0.335 38.184 38.460 0.098 0.000 0.955 679 Y HN 0.599 nan 8.280 nan 0.000 0.495 680 W N -1.085 120.491 121.300 0.460 0.000 2.966 680 W HA 0.347 5.012 4.660 0.008 0.000 0.406 680 W C 0.709 177.395 176.519 0.278 0.000 1.027 680 W CA -0.116 57.426 57.345 0.328 0.000 1.930 680 W CB 0.352 29.947 29.460 0.225 0.000 1.144 680 W HN -0.290 nan 8.180 nan 0.000 0.626 681 R N 0.049 120.770 120.500 0.368 0.000 2.698 681 R HA 0.367 4.712 4.340 0.008 0.000 0.422 681 R C 0.876 177.264 176.300 0.147 0.000 1.073 681 R CA 0.392 56.661 56.100 0.282 0.000 1.054 681 R CB 0.727 31.157 30.300 0.217 0.000 1.373 681 R HN 0.235 nan 8.270 nan 0.000 0.593 682 G N 0.223 109.153 108.800 0.218 0.000 3.859 682 G HA2 -0.121 3.843 3.960 0.008 0.000 0.198 682 G HA3 -0.121 3.843 3.960 0.008 0.000 0.198 682 G C -0.157 174.903 174.900 0.267 0.000 0.972 682 G CA -0.741 44.459 45.100 0.168 0.000 0.882 682 G HN -0.018 nan 8.290 nan 0.000 0.364 683 R N 1.020 121.626 120.500 0.177 0.000 2.679 683 R HA 0.416 4.760 4.340 0.008 0.000 0.268 683 R C 0.039 176.504 176.300 0.276 0.000 1.044 683 R CA -0.037 56.140 56.100 0.130 0.000 1.105 683 R CB 0.784 31.027 30.300 -0.095 0.000 0.989 683 R HN 0.172 nan 8.270 nan 0.000 0.447 684 V N 3.738 123.798 119.914 0.243 0.000 2.383 684 V HA 0.205 4.330 4.120 0.008 0.000 0.275 684 V C -0.343 175.931 176.094 0.300 0.000 1.036 684 V CA -0.535 62.003 62.300 0.396 0.000 0.889 684 V CB 0.657 32.728 31.823 0.413 0.000 0.985 684 V HN 0.555 nan 8.190 nan 0.000 0.459 685 W N 2.832 124.268 121.300 0.226 0.000 2.551 685 W HA 0.544 5.209 4.660 0.008 0.000 0.330 685 W C 1.002 177.716 176.519 0.326 0.000 1.063 685 W CA -0.705 56.770 57.345 0.217 0.000 1.222 685 W CB 1.423 30.996 29.460 0.188 0.000 1.349 685 W HN 0.328 nan 8.180 nan 0.000 0.536 686 V N 1.692 121.927 119.914 0.535 0.000 2.515 686 V HA -0.270 3.855 4.120 0.008 0.000 0.250 686 V C 1.972 178.145 176.094 0.131 0.000 1.058 686 V CA 2.237 64.762 62.300 0.375 0.000 1.064 686 V CB -0.732 31.330 31.823 0.399 0.000 0.675 686 V HN 0.688 nan 8.190 nan 0.000 0.461 687 D N -0.049 120.299 120.400 -0.087 0.000 2.084 687 D HA -0.227 4.418 4.640 0.008 0.000 0.196 687 D C 1.969 177.708 176.300 -0.936 0.000 0.985 687 D CA 1.204 54.484 54.000 -1.200 0.000 0.826 687 D CB -0.521 39.450 40.800 -1.382 0.000 0.978 687 D HN 0.355 nan 8.370 nan 0.000 0.456 688 Q N -0.388 119.339 119.800 -0.122 0.000 2.124 688 Q HA -0.095 4.249 4.340 0.008 0.000 0.202 688 Q C 2.170 178.407 176.000 0.395 0.000 0.977 688 Q CA 0.631 56.624 55.803 0.316 0.000 0.850 688 Q CB -0.715 28.349 28.738 0.544 0.000 0.901 688 Q HN 0.433 nan 8.270 nan 0.000 0.429 689 F N -0.290 119.753 119.950 0.155 0.000 2.102 689 F HA -0.216 4.316 4.527 0.008 0.000 0.298 689 F C 2.121 177.865 175.800 -0.093 0.000 1.105 689 F CA 1.504 59.527 58.000 0.039 0.000 1.239 689 F CB -0.438 38.567 39.000 0.009 0.000 0.991 689 F HN 0.147 nan 8.300 nan 0.000 0.474 690 W N 0.036 121.205 121.300 -0.218 0.000 2.388 690 W HA -0.198 4.466 4.660 0.008 0.000 0.294 690 W C 1.850 178.246 176.519 -0.205 0.000 1.212 690 W CA 1.694 58.887 57.345 -0.253 0.000 1.271 690 W CB -0.596 28.823 29.460 -0.068 0.000 1.126 690 W HN 0.039 nan 8.180 nan 0.000 0.535 691 F N 0.637 120.478 119.950 -0.181 0.000 2.161 691 F HA -0.042 4.490 4.527 0.008 0.000 0.300 691 F C 2.572 178.185 175.800 -0.312 0.000 1.089 691 F CA 1.440 59.126 58.000 -0.524 0.000 1.282 691 F CB -1.538 37.188 39.000 -0.458 0.000 1.010 691 F HN -0.003 nan 8.300 nan 0.000 0.485 692 G N -0.245 108.404 108.800 -0.251 0.000 2.404 692 G HA2 -0.187 3.777 3.960 0.008 0.000 0.215 692 G HA3 -0.187 3.777 3.960 0.008 0.000 0.215 692 G C 1.697 176.178 174.900 -0.698 0.000 1.174 692 G CA 0.515 45.089 45.100 -0.876 0.000 0.780 692 G HN 0.202 nan 8.290 nan 0.000 0.537 693 L N 0.556 121.287 121.223 -0.819 0.000 2.046 693 L HA 0.036 4.380 4.340 0.008 0.000 0.208 693 L C 2.759 179.305 176.870 -0.539 0.000 1.077 693 L CA 1.381 55.673 54.840 -0.914 0.000 0.747 693 L CB -0.363 40.801 42.059 -1.492 0.000 0.896 693 L HN 0.042 nan 8.230 nan 0.000 0.432 694 K N -0.627 119.527 120.400 -0.410 0.000 2.097 694 K HA -0.031 4.294 4.320 0.008 0.000 0.206 694 K C 2.067 178.698 176.600 0.052 0.000 1.049 694 K CA 1.252 57.483 56.287 -0.093 0.000 0.933 694 K CB -0.935 31.426 32.500 -0.233 0.000 0.717 694 K HN 0.424 nan 8.250 nan 0.000 0.442 695 G N 1.279 110.120 108.800 0.067 0.000 2.418 695 G HA2 -0.267 3.697 3.960 0.008 0.000 0.217 695 G HA3 -0.267 3.697 3.960 0.008 0.000 0.217 695 G C 1.638 176.639 174.900 0.168 0.000 1.158 695 G CA 0.818 46.015 45.100 0.161 0.000 0.771 695 G HN 0.224 nan 8.290 nan 0.000 0.545 696 M N 0.134 119.737 119.600 0.004 0.000 2.086 696 M HA -0.039 4.445 4.480 0.008 0.000 0.261 696 M C 2.485 178.908 176.300 0.206 0.000 1.067 696 M CA 2.124 57.458 55.300 0.056 0.000 1.116 696 M CB -0.169 32.353 32.600 -0.131 0.000 1.348 696 M HN 0.416 nan 8.290 nan 0.000 0.407 697 E N 0.060 120.336 120.200 0.127 0.000 2.058 697 E HA -0.297 4.057 4.350 0.008 0.000 0.194 697 E C 2.125 178.778 176.600 0.088 0.000 0.997 697 E CA 1.467 57.958 56.400 0.152 0.000 0.801 697 E CB -0.257 29.583 29.700 0.234 0.000 0.746 697 E HN 0.469 nan 8.360 nan 0.000 0.450 698 R N -0.657 119.876 120.500 0.054 0.000 2.127 698 R HA -0.171 4.174 4.340 0.008 0.000 0.238 698 R C 0.764 176.872 176.300 -0.320 0.000 1.134 698 R CA 1.459 57.478 56.100 -0.134 0.000 0.975 698 R CB -0.120 30.068 30.300 -0.187 0.000 0.865 698 R HN 0.295 nan 8.270 nan 0.000 0.447 699 Y N -0.750 119.593 120.300 0.073 0.000 2.683 699 Y HA 0.285 4.840 4.550 0.007 0.000 0.297 699 Y C 1.059 176.958 175.900 -0.002 0.000 1.147 699 Y CA 0.317 58.468 58.100 0.084 0.000 1.274 699 Y CB 1.086 39.645 38.460 0.164 0.000 1.143 699 Y HN 0.329 nan 8.280 nan 0.000 0.527 700 G N -0.662 108.129 108.800 -0.014 0.000 2.132 700 G HA2 -0.340 3.625 3.960 0.008 0.000 0.234 700 G HA3 -0.340 3.625 3.960 0.008 0.000 0.234 700 G C -0.178 174.504 174.900 -0.363 0.000 0.989 700 G CA -0.142 44.832 45.100 -0.209 0.000 0.676 700 G HN 0.473 nan 8.290 nan 0.000 0.522 701 Y N -0.393 119.933 120.300 0.044 0.000 2.722 701 Y HA 0.401 4.956 4.550 0.008 0.000 0.314 701 Y C 1.893 177.804 175.900 0.018 0.000 1.008 701 Y CA -0.094 58.020 58.100 0.024 0.000 1.294 701 Y CB 0.317 38.783 38.460 0.009 0.000 1.231 701 Y HN 0.264 nan 8.280 nan 0.000 0.558 702 R N 0.501 121.075 120.500 0.124 0.000 2.096 702 R HA -0.163 4.182 4.340 0.008 0.000 0.235 702 R C 1.172 177.549 176.300 0.129 0.000 1.127 702 R CA 2.054 58.244 56.100 0.150 0.000 0.968 702 R CB 0.073 30.446 30.300 0.122 0.000 0.861 702 R HN 0.339 nan 8.270 nan 0.000 0.440 703 D N 0.684 121.140 120.400 0.093 0.000 2.104 703 D HA -0.170 4.474 4.640 0.008 0.000 0.194 703 D C 1.338 177.685 176.300 0.078 0.000 0.994 703 D CA 1.298 55.346 54.000 0.080 0.000 0.830 703 D CB -0.269 40.568 40.800 0.060 0.000 0.959 703 D HN 0.319 nan 8.370 nan 0.000 0.452 704 D N 0.371 120.826 120.400 0.091 0.000 2.178 704 D HA -0.056 4.589 4.640 0.008 0.000 0.202 704 D C 1.986 178.271 176.300 -0.024 0.000 0.974 704 D CA 0.747 54.778 54.000 0.051 0.000 0.841 704 D CB 0.010 40.854 40.800 0.073 0.000 0.953 704 D HN 0.107 nan 8.370 nan 0.000 0.478 705 A N 0.854 123.641 122.820 -0.055 0.000 1.930 705 A HA -0.095 4.230 4.320 0.008 0.000 0.217 705 A C 2.374 179.855 177.584 -0.173 0.000 1.175 705 A CA 0.701 52.586 52.037 -0.254 0.000 0.627 705 A CB -0.669 18.112 19.000 -0.366 0.000 0.815 705 A HN 0.171 nan 8.150 nan 0.000 0.443 706 L N -0.654 120.596 121.223 0.045 0.000 2.083 706 L HA -0.205 4.140 4.340 0.008 0.000 0.209 706 L C 2.554 179.486 176.870 0.104 0.000 1.083 706 L CA 1.610 56.536 54.840 0.143 0.000 0.752 706 L CB -0.390 41.763 42.059 0.155 0.000 0.899 706 L HN 0.364 nan 8.230 nan 0.000 0.433 707 K N 0.089 120.527 120.400 0.062 0.000 2.026 707 K HA -0.135 4.190 4.320 0.008 0.000 0.208 707 K C 2.092 178.735 176.600 0.072 0.000 1.048 707 K CA 1.128 57.452 56.287 0.061 0.000 0.929 707 K CB -0.216 32.310 32.500 0.043 0.000 0.713 707 K HN 0.245 nan 8.250 nan 0.000 0.439 708 L N 0.622 121.871 121.223 0.042 0.000 2.083 708 L HA -0.171 4.174 4.340 0.008 0.000 0.209 708 L C 2.615 179.666 176.870 0.302 0.000 1.083 708 L CA 1.019 55.922 54.840 0.105 0.000 0.752 708 L CB -0.645 41.386 42.059 -0.047 0.000 0.899 708 L HN 0.224 nan 8.230 nan 0.000 0.433 709 A N 0.095 123.066 122.820 0.252 0.000 1.933 709 A HA -0.288 4.037 4.320 0.008 0.000 0.218 709 A C 1.957 179.862 177.584 0.534 0.000 1.175 709 A CA 2.119 54.441 52.037 0.475 0.000 0.628 709 A CB -0.582 18.637 19.000 0.364 0.000 0.814 709 A HN 0.477 nan 8.150 nan 0.000 0.444 710 D N -1.215 119.370 120.400 0.309 0.000 2.144 710 D HA -0.100 4.545 4.640 0.008 0.000 0.200 710 D C 1.869 178.228 176.300 0.099 0.000 0.978 710 D CA 1.861 55.983 54.000 0.205 0.000 0.833 710 D CB -0.127 40.736 40.800 0.106 0.000 0.961 710 D HN 0.325 nan 8.370 nan 0.000 0.470 711 T N -0.503 114.070 114.554 0.033 0.000 2.746 711 T HA -0.133 4.221 4.350 0.008 0.000 0.267 711 T C 1.556 176.108 174.700 -0.246 0.000 1.039 711 T CA 1.069 63.035 62.100 -0.223 0.000 1.142 711 T CB -0.586 68.213 68.868 -0.116 0.000 0.866 711 T HN 0.249 nan 8.240 nan 0.000 0.444 712 F N 0.934 120.822 119.950 -0.104 0.000 2.102 712 F HA -0.058 4.474 4.527 0.008 0.000 0.298 712 F C 1.894 177.590 175.800 -0.173 0.000 1.105 712 F CA 1.074 58.948 58.000 -0.210 0.000 1.239 712 F CB -0.429 38.418 39.000 -0.255 0.000 0.991 712 F HN 0.112 nan 8.300 nan 0.000 0.474 713 F N 1.255 121.242 119.950 0.062 0.000 2.216 713 F HA -0.129 4.403 4.527 0.008 0.000 0.300 713 F C 2.356 178.003 175.800 -0.256 0.000 1.085 713 F CA 1.649 59.553 58.000 -0.160 0.000 1.326 713 F CB -0.319 38.516 39.000 -0.274 0.000 1.027 713 F HN -0.126 nan 8.300 nan 0.000 0.497 714 R N -1.802 118.585 120.500 -0.189 0.000 2.173 714 R HA 0.025 4.369 4.340 0.008 0.000 0.208 714 R C 1.556 177.738 176.300 -0.195 0.000 1.035 714 R CA 1.197 57.170 56.100 -0.213 0.000 1.004 714 R CB -0.315 29.860 30.300 -0.208 0.000 0.917 714 R HN 0.474 nan 8.270 nan 0.000 0.462 715 H N -0.502 118.268 119.070 -0.500 0.000 2.681 715 H HA 0.298 4.858 4.556 0.008 0.000 0.268 715 H C 0.291 175.254 175.328 -0.609 0.000 0.967 715 H CA -0.342 55.288 56.048 -0.696 0.000 1.233 715 H CB 0.633 29.590 29.762 -1.342 0.000 1.445 715 H HN 0.059 nan 8.280 nan 0.000 0.494 716 A N 2.691 125.055 122.820 -0.760 0.000 2.484 716 A HA 0.042 4.366 4.320 0.008 0.000 0.268 716 A C 0.160 177.471 177.584 -0.454 0.000 1.114 716 A CA -0.220 51.217 52.037 -1.000 0.000 0.780 716 A CB 0.017 17.846 19.000 -1.951 0.000 1.061 716 A HN 0.140 nan 8.150 nan 0.000 0.505 717 K N 1.653 121.966 120.400 -0.144 0.000 2.448 717 K HA 0.240 4.564 4.320 0.008 0.000 0.278 717 K C 1.360 177.956 176.600 -0.007 0.000 1.009 717 K CA 1.167 57.435 56.287 -0.031 0.000 0.995 717 K CB 0.440 32.963 32.500 0.039 0.000 0.917 717 K HN 1.548 nan 8.250 nan 0.000 0.481 718 G N 1.747 110.518 108.800 -0.049 0.000 2.184 718 G HA2 -0.302 3.663 3.960 0.008 0.000 0.264 718 G HA3 -0.302 3.663 3.960 0.008 0.000 0.264 718 G C 0.820 175.685 174.900 -0.058 0.000 0.975 718 G CA 0.405 45.484 45.100 -0.036 0.000 0.642 718 G HN 0.529 nan 8.290 nan 0.000 0.536 719 L N 1.530 122.669 121.223 -0.140 0.000 2.043 719 L HA 0.031 4.375 4.340 0.008 0.000 0.212 719 L C 2.936 179.706 176.870 -0.166 0.000 1.075 719 L CA 3.431 58.160 54.840 -0.185 0.000 0.752 719 L CB -0.573 41.216 42.059 -0.451 0.000 0.891 719 L HN 0.719 nan 8.230 nan 0.000 0.432 720 T N -3.521 110.914 114.554 -0.199 0.000 3.122 720 T HA 0.541 4.895 4.350 0.008 0.000 0.250 720 T C 0.653 175.337 174.700 -0.027 0.000 1.067 720 T CA 0.111 62.154 62.100 -0.096 0.000 0.966 720 T CB -0.259 68.546 68.868 -0.105 0.000 1.002 720 T HN 0.312 nan 8.240 nan 0.000 0.542 721 A N 2.193 124.998 122.820 -0.025 0.000 2.274 721 A HA 0.569 4.894 4.320 0.008 0.000 0.297 721 A C 0.800 178.400 177.584 0.027 0.000 1.191 721 A CA -0.241 51.798 52.037 0.003 0.000 0.889 721 A CB 0.484 19.483 19.000 -0.002 0.000 1.294 721 A HN 0.420 nan 8.150 nan 0.000 0.506 722 D N -0.656 119.767 120.400 0.038 0.000 2.427 722 D HA 0.256 4.900 4.640 0.008 0.000 0.224 722 D C 0.565 176.901 176.300 0.061 0.000 1.157 722 D CA 0.341 54.374 54.000 0.055 0.000 0.828 722 D CB -0.567 40.269 40.800 0.061 0.000 0.974 722 D HN 0.544 nan 8.370 nan 0.000 0.498 723 G N 1.111 109.939 108.800 0.048 0.000 2.537 723 G HA2 0.461 4.426 3.960 0.008 0.000 0.273 723 G HA3 0.461 4.426 3.960 0.008 0.000 0.273 723 G C -2.349 172.584 174.900 0.054 0.000 1.189 723 G CA -1.182 43.947 45.100 0.048 0.000 0.881 723 G HN 0.050 nan 8.290 nan 0.000 0.535 724 P HA 0.219 nan 4.420 nan 0.000 0.274 724 P C -0.135 177.185 177.300 0.034 0.000 1.237 724 P CA -0.277 62.858 63.100 0.059 0.000 0.793 724 P CB 1.297 33.035 31.700 0.064 0.000 0.977 725 I N 1.601 122.200 120.570 0.049 0.000 2.556 725 I HA 0.041 4.216 4.170 0.008 0.000 0.284 725 I C 1.345 177.460 176.117 -0.004 0.000 1.114 725 I CA 0.312 61.639 61.300 0.045 0.000 1.418 725 I CB 0.119 38.173 38.000 0.092 0.000 1.394 725 I HN 0.316 nan 8.210 nan 0.000 0.552 726 Q N 4.216 123.953 119.800 -0.105 0.000 2.738 726 Q HA 0.311 4.655 4.340 0.008 0.000 0.197 726 Q C 0.427 176.191 176.000 -0.392 0.000 1.012 726 Q CA -0.758 54.898 55.803 -0.245 0.000 0.968 726 Q CB 1.087 29.630 28.738 -0.324 0.000 1.590 726 Q HN 0.521 nan 8.270 nan 0.000 0.490 727 E N -0.029 119.721 120.200 -0.750 0.000 2.127 727 E HA -0.026 4.328 4.350 0.008 0.000 0.191 727 E C -0.230 175.549 176.600 -1.368 0.000 0.964 727 E CA 0.654 56.343 56.400 -1.186 0.000 0.832 727 E CB 0.336 29.064 29.700 -1.620 0.000 0.790 727 E HN 0.467 nan 8.360 nan 0.000 0.465 728 N N -1.287 116.595 118.700 -1.363 0.000 3.039 728 N HA 0.261 5.005 4.740 0.008 0.000 0.257 728 N C -1.615 173.284 175.510 -1.017 0.000 1.497 728 N CA -0.743 51.526 53.050 -1.301 0.000 0.861 728 N CB 0.565 37.940 38.487 -1.854 0.000 1.479 728 N HN -0.154 nan 8.380 nan 0.000 0.547 729 Y N -1.303 118.780 120.300 -0.360 0.000 2.512 729 Y HA 0.450 5.005 4.550 0.008 0.000 0.348 729 Y C -0.121 175.723 175.900 -0.093 0.000 0.990 729 Y CA -1.078 56.911 58.100 -0.185 0.000 1.033 729 Y CB 1.649 40.040 38.460 -0.114 0.000 1.259 729 Y HN 0.582 nan 8.280 nan 0.000 0.461 730 N N 4.678 123.446 118.700 0.115 0.000 2.475 730 N HA 0.071 4.815 4.740 0.008 0.000 0.267 730 N C -1.852 173.776 175.510 0.197 0.000 1.169 730 N CA -1.577 51.538 53.050 0.107 0.000 0.947 730 N CB 1.390 39.915 38.487 0.063 0.000 1.061 730 N HN 0.378 nan 8.380 nan 0.000 0.466 731 P HA -0.080 nan 4.420 nan 0.000 0.226 731 P C 1.136 178.622 177.300 0.310 0.000 1.153 731 P CA 0.984 64.267 63.100 0.306 0.000 0.777 731 P CB 0.482 32.412 31.700 0.383 0.000 0.794 732 L N -0.688 120.676 121.223 0.235 0.000 2.408 732 L HA 0.086 4.431 4.340 0.008 0.000 0.215 732 L C 2.380 179.206 176.870 -0.074 0.000 1.081 732 L CA 1.681 56.597 54.840 0.128 0.000 0.840 732 L CB -0.846 41.270 42.059 0.095 0.000 1.002 732 L HN 0.078 nan 8.230 nan 0.000 0.468 733 T N -5.174 109.374 114.554 -0.010 0.000 2.959 733 T HA 0.276 4.630 4.350 0.008 0.000 0.254 733 T C 1.474 176.230 174.700 0.094 0.000 1.003 733 T CA 0.595 62.608 62.100 -0.146 0.000 0.950 733 T CB 1.000 69.810 68.868 -0.096 0.000 1.090 733 T HN 0.321 nan 8.240 nan 0.000 0.503 734 G N 1.805 110.755 108.800 0.250 0.000 2.179 734 G HA2 -0.079 3.886 3.960 0.008 0.000 0.260 734 G HA3 -0.079 3.886 3.960 0.008 0.000 0.260 734 G C 0.403 175.414 174.900 0.186 0.000 0.977 734 G CA 0.016 45.252 45.100 0.227 0.000 0.641 734 G HN 1.308 nan 8.290 nan 0.000 0.533 735 A N 0.130 123.013 122.820 0.106 0.000 2.511 735 A HA 0.541 4.866 4.320 0.008 0.000 0.242 735 A C 0.678 178.264 177.584 0.003 0.000 1.069 735 A CA 0.589 52.650 52.037 0.041 0.000 0.763 735 A CB 0.228 19.223 19.000 -0.009 0.000 1.001 735 A HN 0.584 nan 8.150 nan 0.000 0.498 736 Q N 0.866 120.626 119.800 -0.067 0.000 2.260 736 Q HA 0.487 4.832 4.340 0.008 0.000 0.242 736 Q C -0.524 175.331 176.000 -0.241 0.000 0.932 736 Q CA -0.133 55.518 55.803 -0.252 0.000 0.891 736 Q CB 1.233 29.818 28.738 -0.255 0.000 1.222 736 Q HN 0.819 nan 8.270 nan 0.000 0.453 737 Q N -0.557 119.019 119.800 -0.374 0.000 2.534 737 Q HA 0.645 4.990 4.340 0.008 0.000 0.290 737 Q C -0.903 174.850 176.000 -0.413 0.000 0.991 737 Q CA -0.544 55.098 55.803 -0.268 0.000 0.783 737 Q CB 2.621 31.252 28.738 -0.178 0.000 1.470 737 Q HN 0.889 nan 8.270 nan 0.000 0.406 738 G N 0.103 108.776 108.800 -0.210 0.000 2.479 738 G HA2 0.218 4.182 3.960 0.008 0.000 0.686 738 G HA3 0.218 4.182 3.960 0.008 0.000 0.686 738 G C -1.049 173.683 174.900 -0.280 0.000 1.295 738 G CA -0.565 44.358 45.100 -0.295 0.000 0.922 738 G HN 0.777 nan 8.290 nan 0.000 0.582 739 A N 1.674 124.238 122.820 -0.427 0.000 2.511 739 A HA 0.657 4.982 4.320 0.008 0.000 0.242 739 A C -1.184 176.196 177.584 -0.341 0.000 1.069 739 A CA -0.017 51.579 52.037 -0.736 0.000 0.763 739 A CB -0.059 18.567 19.000 -0.623 0.000 1.001 739 A HN 0.787 nan 8.150 nan 0.000 0.498 740 P HA 0.159 nan 4.420 nan 0.000 0.275 740 P C -0.575 176.719 177.300 -0.011 0.000 1.228 740 P CA -0.155 62.896 63.100 -0.081 0.000 0.786 740 P CB 0.253 31.937 31.700 -0.026 0.000 0.927 741 N N -1.397 117.325 118.700 0.036 0.000 2.758 741 N HA -0.238 4.506 4.740 0.008 0.000 0.248 741 N C -0.768 174.777 175.510 0.059 0.000 1.076 741 N CA 0.133 53.217 53.050 0.057 0.000 0.696 741 N CB -2.154 36.371 38.487 0.063 0.000 0.979 741 N HN 0.391 nan 8.380 nan 0.000 0.550 742 F N 1.000 120.877 119.950 -0.121 0.000 2.444 742 F HA 0.321 4.852 4.527 0.008 0.000 0.360 742 F C 1.559 177.274 175.800 -0.141 0.000 1.106 742 F CA -0.302 57.582 58.000 -0.193 0.000 1.170 742 F CB 0.747 39.570 39.000 -0.296 0.000 1.113 742 F HN 0.062 nan 8.300 nan 0.000 0.521 743 S N 5.025 120.307 115.700 -0.696 0.000 2.359 743 S HA -0.265 4.209 4.470 0.008 0.000 0.222 743 S C 1.647 176.023 174.600 -0.373 0.000 1.038 743 S CA 2.092 60.006 58.200 -0.477 0.000 1.051 743 S CB -0.664 62.302 63.200 -0.391 0.000 0.944 743 S HN 0.920 nan 8.310 nan 0.000 0.433 744 W N 2.217 123.057 121.300 -0.767 0.000 2.465 744 W HA 0.194 4.859 4.660 0.009 0.000 0.268 744 W C 1.801 178.321 176.519 0.001 0.000 1.242 744 W CA 0.362 57.529 57.345 -0.296 0.000 1.248 744 W CB -1.144 28.191 29.460 -0.209 0.000 1.118 744 W HN 0.084 nan 8.180 nan 0.000 0.587 745 S N 1.124 116.954 115.700 0.217 0.000 2.368 745 S HA -0.061 4.413 4.470 0.008 0.000 0.224 745 S C 2.247 177.008 174.600 0.268 0.000 1.029 745 S CA 1.817 60.247 58.200 0.383 0.000 0.988 745 S CB -0.864 62.531 63.200 0.325 0.000 0.838 745 S HN 0.440 nan 8.310 nan 0.000 0.462 746 A N 1.650 124.554 122.820 0.141 0.000 1.902 746 A HA 0.068 4.392 4.320 0.008 0.000 0.217 746 A C 2.349 180.021 177.584 0.148 0.000 1.181 746 A CA 1.771 53.888 52.037 0.134 0.000 0.623 746 A CB -1.139 17.902 19.000 0.067 0.000 0.818 746 A HN 0.511 nan 8.150 nan 0.000 0.443 747 A N -1.081 121.790 122.820 0.086 0.000 1.883 747 A HA -0.227 4.098 4.320 0.008 0.000 0.217 747 A C 2.061 179.577 177.584 -0.112 0.000 1.186 747 A CA 1.676 53.711 52.037 -0.003 0.000 0.624 747 A CB -0.938 17.991 19.000 -0.117 0.000 0.822 747 A HN 0.683 nan 8.150 nan 0.000 0.444 748 H N -0.877 118.205 119.070 0.020 0.000 2.502 748 H HA 0.124 4.684 4.556 0.007 0.000 0.283 748 H C 1.982 177.287 175.328 -0.039 0.000 1.015 748 H CA 1.022 56.977 56.048 -0.154 0.000 1.298 748 H CB -0.043 29.641 29.762 -0.129 0.000 1.411 748 H HN 0.397 nan 8.280 nan 0.000 0.556 749 L N -0.197 121.154 121.223 0.213 0.000 2.109 749 L HA -0.196 4.149 4.340 0.008 0.000 0.207 749 L C 2.487 179.497 176.870 0.233 0.000 1.086 749 L CA 0.908 55.914 54.840 0.277 0.000 0.760 749 L CB -0.431 41.844 42.059 0.361 0.000 0.910 749 L HN 0.191 nan 8.230 nan 0.000 0.437 750 Y N 0.487 120.852 120.300 0.109 0.000 2.200 750 Y HA -0.256 4.299 4.550 0.007 0.000 0.290 750 Y C 2.526 178.489 175.900 0.104 0.000 1.137 750 Y CA 1.584 59.752 58.100 0.114 0.000 1.163 750 Y CB -0.151 38.352 38.460 0.072 0.000 0.988 750 Y HN 0.041 nan 8.280 nan 0.000 0.518 751 M N -0.560 118.965 119.600 -0.125 0.000 2.159 751 M HA -0.220 4.265 4.480 0.008 0.000 0.263 751 M C 2.138 178.375 176.300 -0.105 0.000 1.063 751 M CA 1.602 56.760 55.300 -0.236 0.000 1.110 751 M CB -0.409 31.794 32.600 -0.663 0.000 1.374 751 M HN 0.312 nan 8.290 nan 0.000 0.411 752 L N -1.219 119.940 121.223 -0.107 0.000 2.046 752 L HA -0.234 4.111 4.340 0.008 0.000 0.208 752 L C 2.605 179.164 176.870 -0.518 0.000 1.077 752 L CA 1.353 56.034 54.840 -0.264 0.000 0.747 752 L CB -0.773 40.883 42.059 -0.671 0.000 0.896 752 L HN 0.297 nan 8.230 nan 0.000 0.432 753 Y N 0.655 120.744 120.300 -0.353 0.000 2.181 753 Y HA -0.297 4.257 4.550 0.008 0.000 0.288 753 Y C 2.346 178.126 175.900 -0.200 0.000 1.146 753 Y CA 2.137 60.202 58.100 -0.057 0.000 1.164 753 Y CB -0.458 37.992 38.460 -0.017 0.000 0.982 753 Y HN 0.216 nan 8.280 nan 0.000 0.515 754 N N -0.797 117.598 118.700 -0.508 0.000 2.216 754 N HA -0.169 4.576 4.740 0.008 0.000 0.183 754 N C 0.837 176.101 175.510 -0.409 0.000 1.017 754 N CA 1.377 54.099 53.050 -0.546 0.000 0.861 754 N CB 0.024 38.222 38.487 -0.481 0.000 0.986 754 N HN 0.425 nan 8.380 nan 0.000 0.428 755 D N -1.166 119.026 120.400 -0.347 0.000 2.379 755 D HA 0.035 4.680 4.640 0.008 0.000 0.218 755 D C 0.603 176.387 176.300 -0.859 0.000 1.006 755 D CA 0.674 54.325 54.000 -0.580 0.000 0.893 755 D CB 0.115 40.525 40.800 -0.650 0.000 1.019 755 D HN 0.313 nan 8.370 nan 0.000 0.503 756 F N -0.707 119.169 119.950 -0.124 0.000 2.819 756 F HA 0.225 4.757 4.527 0.007 0.000 0.325 756 F C 0.352 176.164 175.800 0.021 0.000 1.041 756 F CA -0.596 57.357 58.000 -0.078 0.000 1.184 756 F CB 0.282 39.235 39.000 -0.080 0.000 1.019 756 F HN -0.290 nan 8.300 nan 0.000 0.590 757 F N 3.866 123.877 119.950 0.101 0.000 2.471 757 F HA 0.475 5.007 4.527 0.007 0.000 0.353 757 F C 0.731 176.466 175.800 -0.107 0.000 1.113 757 F CA -0.987 57.002 58.000 -0.019 0.000 1.262 757 F CB 0.259 39.223 39.000 -0.060 0.000 1.146 757 F HN 0.001 nan 8.300 nan 0.000 0.578 758 R N 1.376 121.922 120.500 0.077 0.000 2.728 758 R HA 0.341 4.686 4.340 0.008 0.000 0.274 758 R C -1.215 175.055 176.300 -0.050 0.000 1.032 758 R CA -1.146 54.949 56.100 -0.008 0.000 0.866 758 R CB 1.660 31.966 30.300 0.009 0.000 1.263 758 R HN 0.565 nan 8.270 nan 0.000 0.475 759 K N 0.000 120.377 120.400 -0.039 0.000 2.780 759 K HA 0.000 4.325 4.320 0.008 0.000 0.191 759 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 759 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543