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 3c67_1_B 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 0.000 177.679 177.584 0.158 0.000 1.274 2 A CA 0.000 52.184 52.037 0.245 0.000 0.836 2 A CB 0.000 19.106 19.000 0.177 0.000 0.831 3 D N 1.322 121.759 120.400 0.061 0.000 2.350 3 D HA -0.068 4.571 4.640 -0.002 0.000 0.216 3 D C 0.729 176.950 176.300 -0.132 0.000 0.968 3 D CA 0.706 54.693 54.000 -0.022 0.000 0.894 3 D CB -0.095 40.692 40.800 -0.022 0.000 0.909 3 D HN 0.465 nan 8.370 nan 0.000 0.520 4 N N 0.055 118.616 118.700 -0.231 0.000 2.461 4 N HA -0.079 4.660 4.740 -0.002 0.000 0.188 4 N C -0.296 174.773 175.510 -0.735 0.000 1.134 4 N CA 0.301 53.045 53.050 -0.509 0.000 0.878 4 N CB 0.222 38.300 38.487 -0.682 0.000 0.972 4 N HN 0.300 nan 8.380 nan 0.000 0.456 5 Y N 0.824 121.116 120.300 -0.014 0.000 2.562 5 Y HA 0.340 4.888 4.550 -0.003 0.000 0.363 5 Y C -0.074 175.813 175.900 -0.021 0.000 0.991 5 Y CA -0.742 57.354 58.100 -0.007 0.000 1.121 5 Y CB 0.279 38.750 38.460 0.018 0.000 1.159 5 Y HN -0.366 nan 8.280 nan 0.000 0.651 6 K N 1.893 122.301 120.400 0.013 0.000 2.205 6 K HA 0.184 4.503 4.320 -0.002 0.000 0.279 6 K C 0.056 176.686 176.600 0.051 0.000 1.027 6 K CA -0.498 55.782 56.287 -0.012 0.000 0.932 6 K CB 0.462 32.834 32.500 -0.213 0.000 1.032 6 K HN 0.456 nan 8.250 nan 0.000 0.466 7 N N 1.258 120.014 118.700 0.094 0.000 2.705 7 N HA -0.171 4.568 4.740 -0.002 0.000 0.255 7 N C 0.650 176.215 175.510 0.091 0.000 1.008 7 N CA 0.338 53.446 53.050 0.097 0.000 0.742 7 N CB -1.417 37.128 38.487 0.096 0.000 0.906 7 N HN 0.317 nan 8.380 nan 0.000 0.541 8 V N -0.537 119.436 119.914 0.098 0.000 2.427 8 V HA -0.065 4.054 4.120 -0.002 0.000 0.248 8 V C 1.419 177.570 176.094 0.094 0.000 1.051 8 V CA 1.483 63.844 62.300 0.103 0.000 1.048 8 V CB -0.002 31.882 31.823 0.101 0.000 0.666 8 V HN 0.401 nan 8.190 nan 0.000 0.456 9 I N 0.156 120.784 120.570 0.097 0.000 2.569 9 I HA 0.309 4.478 4.170 -0.002 0.000 0.296 9 I C -0.154 176.031 176.117 0.113 0.000 1.028 9 I CA -0.633 60.731 61.300 0.106 0.000 1.082 9 I CB 1.656 39.728 38.000 0.121 0.000 1.264 9 I HN 0.008 nan 8.210 nan 0.000 0.429 10 N N 5.210 123.979 118.700 0.116 0.000 2.406 10 N HA 0.106 4.845 4.740 -0.002 0.000 0.265 10 N C 0.098 175.705 175.510 0.162 0.000 1.203 10 N CA 0.337 53.463 53.050 0.126 0.000 0.945 10 N CB 0.403 38.961 38.487 0.118 0.000 1.165 10 N HN 0.492 nan 8.380 nan 0.000 0.485 11 R N 1.228 121.824 120.500 0.159 0.000 2.552 11 R HA 0.085 4.423 4.340 -0.002 0.000 0.314 11 R C 0.202 176.606 176.300 0.174 0.000 1.041 11 R CA -0.186 56.028 56.100 0.190 0.000 1.076 11 R CB 0.108 30.515 30.300 0.179 0.000 1.290 11 R HN 0.567 nan 8.270 nan 0.000 0.563 12 T N -1.718 112.927 114.554 0.152 0.000 2.913 12 T HA 0.699 5.048 4.350 -0.002 0.000 0.287 12 T C 0.498 175.233 174.700 0.058 0.000 1.008 12 T CA -0.450 61.705 62.100 0.091 0.000 1.067 12 T CB 2.114 71.029 68.868 0.077 0.000 0.996 12 T HN 0.238 nan 8.240 nan 0.000 0.513 13 G N -0.673 108.039 108.800 -0.147 0.000 2.376 13 G HA2 0.585 4.544 3.960 -0.002 0.000 0.302 13 G HA3 0.585 4.544 3.960 -0.002 0.000 0.302 13 G C -1.212 173.278 174.900 -0.683 0.000 1.586 13 G CA -0.430 44.304 45.100 -0.609 0.000 0.907 13 G HN 1.281 nan 8.290 nan 0.000 0.655 14 A N 1.811 124.149 122.820 -0.804 0.000 3.082 14 A HA 0.795 5.113 4.320 -0.002 0.000 0.328 14 A C -2.524 174.742 177.584 -0.530 0.000 1.089 14 A CA -1.236 50.497 52.037 -0.506 0.000 0.802 14 A CB 0.887 19.733 19.000 -0.257 0.000 1.138 14 A HN 0.422 nan 8.150 nan 0.000 0.474 15 P HA 0.078 nan 4.420 nan 0.000 0.265 15 P C 0.215 177.379 177.300 -0.225 0.000 1.187 15 P CA 0.447 63.269 63.100 -0.464 0.000 0.766 15 P CB 0.660 31.748 31.700 -1.020 0.000 0.820 16 Q N 0.781 120.536 119.800 -0.075 0.000 2.140 16 Q HA 0.207 4.546 4.340 -0.002 0.000 0.227 16 Q C -0.668 175.002 176.000 -0.551 0.000 0.798 16 Q CA 0.258 55.891 55.803 -0.283 0.000 0.987 16 Q CB 0.582 29.125 28.738 -0.326 0.000 1.161 16 Q HN 0.565 nan 8.270 nan 0.000 0.480 17 Y N -0.910 119.401 120.300 0.018 0.000 2.534 17 Y HA 0.281 4.829 4.550 -0.003 0.000 0.345 17 Y C 1.032 176.995 175.900 0.105 0.000 1.031 17 Y CA -0.705 57.416 58.100 0.035 0.000 1.022 17 Y CB 1.536 39.993 38.460 -0.005 0.000 1.292 17 Y HN -0.174 nan 8.280 nan 0.000 0.459 18 M N 1.006 120.746 119.600 0.234 0.000 2.159 18 M HA -0.051 4.428 4.480 -0.002 0.000 0.263 18 M C -0.187 176.207 176.300 0.157 0.000 1.063 18 M CA 1.991 57.419 55.300 0.213 0.000 1.110 18 M CB 0.087 32.777 32.600 0.149 0.000 1.374 18 M HN 0.551 nan 8.290 nan 0.000 0.411 19 K N 1.416 121.803 120.400 -0.022 0.000 2.432 19 K HA 0.123 4.442 4.320 -0.002 0.000 0.226 19 K C -1.139 175.217 176.600 -0.407 0.000 1.057 19 K CA -0.233 55.750 56.287 -0.507 0.000 1.034 19 K CB 0.446 32.411 32.500 -0.892 0.000 1.561 19 K HN -0.002 nan 8.250 nan 0.000 0.492 20 D N 2.462 122.910 120.400 0.080 0.000 2.564 20 D HA 0.049 4.688 4.640 -0.002 0.000 0.226 20 D C -0.593 175.839 176.300 0.220 0.000 1.149 20 D CA -0.264 53.848 54.000 0.187 0.000 0.994 20 D CB 0.179 41.238 40.800 0.432 0.000 1.029 20 D HN 0.221 nan 8.370 nan 0.000 0.517 21 Y N 1.228 121.515 120.300 -0.021 0.000 2.316 21 Y HA 0.179 4.727 4.550 -0.003 0.000 0.324 21 Y C 1.175 176.992 175.900 -0.139 0.000 1.267 21 Y CA -1.381 56.672 58.100 -0.079 0.000 1.311 21 Y CB 0.470 38.859 38.460 -0.119 0.000 1.267 21 Y HN 0.272 nan 8.280 nan 0.000 0.516 22 D N -1.186 119.235 120.400 0.035 0.000 2.539 22 D HA 0.052 4.691 4.640 -0.002 0.000 0.276 22 D C 0.730 177.008 176.300 -0.037 0.000 1.206 22 D CA -0.317 53.646 54.000 -0.060 0.000 1.081 22 D CB -0.095 40.692 40.800 -0.022 0.000 1.142 22 D HN 0.381 nan 8.370 nan 0.000 0.595 23 Y N -0.323 119.944 120.300 -0.055 0.000 2.193 23 Y HA -0.124 4.425 4.550 -0.002 0.000 0.285 23 Y C 1.155 176.988 175.900 -0.110 0.000 1.166 23 Y CA 1.584 59.644 58.100 -0.066 0.000 1.181 23 Y CB -0.188 38.241 38.460 -0.051 0.000 0.976 23 Y HN 0.385 nan 8.280 nan 0.000 0.520 24 D N -0.154 120.250 120.400 0.007 0.000 2.491 24 D HA 0.037 4.675 4.640 -0.002 0.000 0.228 24 D C -0.294 175.615 176.300 -0.651 0.000 1.183 24 D CA 0.353 54.224 54.000 -0.216 0.000 0.827 24 D CB 0.018 40.755 40.800 -0.106 0.000 0.989 24 D HN 0.279 nan 8.370 nan 0.000 0.494 25 D N 0.729 120.813 120.400 -0.526 0.000 3.090 25 D HA -0.147 4.491 4.640 -0.002 0.000 0.215 25 D C 0.003 175.425 176.300 -1.464 0.000 1.140 25 D CA 0.846 54.295 54.000 -0.918 0.000 0.937 25 D CB -1.309 39.028 40.800 -0.773 0.000 1.108 25 D HN 0.511 nan 8.370 nan 0.000 0.420 26 H N 0.564 119.289 119.070 -0.574 0.000 2.479 26 H HA 0.264 4.818 4.556 -0.002 0.000 0.335 26 H C 1.105 176.347 175.328 -0.144 0.000 1.142 26 H CA -0.267 55.532 56.048 -0.414 0.000 1.234 26 H CB 0.816 30.454 29.762 -0.208 0.000 1.503 26 H HN -0.060 nan 8.280 nan 0.000 0.510 27 Q N 2.335 122.219 119.800 0.140 0.000 2.247 27 Q HA -0.048 4.290 4.340 -0.002 0.000 0.288 27 Q C 1.263 177.384 176.000 0.200 0.000 1.079 27 Q CA 0.184 56.181 55.803 0.324 0.000 0.932 27 Q CB 0.705 29.610 28.738 0.277 0.000 1.133 27 Q HN 0.681 nan 8.270 nan 0.000 0.377 28 R N 1.247 121.778 120.500 0.052 0.000 2.328 28 R HA 0.089 4.428 4.340 -0.002 0.000 0.200 28 R C -0.336 175.702 176.300 -0.437 0.000 0.983 28 R CA 0.447 56.396 56.100 -0.252 0.000 1.062 28 R CB 0.062 30.093 30.300 -0.448 0.000 0.956 28 R HN 0.165 nan 8.270 nan 0.000 0.479 29 F N 0.521 120.634 119.950 0.272 0.000 2.598 29 F HA 0.394 4.919 4.527 -0.002 0.000 0.327 29 F C 0.189 176.157 175.800 0.280 0.000 1.057 29 F CA -1.564 56.584 58.000 0.247 0.000 0.957 29 F CB 1.255 40.398 39.000 0.238 0.000 1.278 29 F HN -0.135 nan 8.300 nan 0.000 0.484 30 N N 2.182 121.143 118.700 0.435 0.000 2.898 30 N HA 0.296 5.034 4.740 -0.002 0.000 0.245 30 N C -2.917 172.807 175.510 0.358 0.000 1.185 30 N CA -1.348 51.909 53.050 0.344 0.000 0.879 30 N CB 0.900 39.539 38.487 0.253 0.000 1.157 30 N HN 0.115 nan 8.380 nan 0.000 0.503 31 P HA 0.066 nan 4.420 nan 0.000 0.269 31 P C -0.357 177.102 177.300 0.266 0.000 1.215 31 P CA -0.213 63.049 63.100 0.270 0.000 0.780 31 P CB 0.418 32.197 31.700 0.133 0.000 0.898 32 F N 3.723 123.675 119.950 0.002 0.000 2.411 32 F HA 0.522 5.048 4.527 -0.001 0.000 0.355 32 F C -1.241 174.484 175.800 -0.124 0.000 1.117 32 F CA -0.687 57.344 58.000 0.053 0.000 1.139 32 F CB -0.259 38.800 39.000 0.098 0.000 1.120 32 F HN 0.120 nan 8.300 nan 0.000 0.493 33 F N 4.438 124.022 119.950 -0.611 0.000 2.563 33 F HA 0.472 4.997 4.527 -0.004 0.000 0.316 33 F C -0.443 174.602 175.800 -1.257 0.000 1.076 33 F CA -0.758 56.638 58.000 -1.007 0.000 0.921 33 F CB 1.964 40.617 39.000 -0.577 0.000 1.209 33 F HN 0.428 nan 8.300 nan 0.000 0.462 34 D N 0.739 120.171 120.400 -1.613 0.000 2.622 34 D HA 0.434 5.072 4.640 -0.002 0.000 0.255 34 D C -0.206 175.541 176.300 -0.921 0.000 1.246 34 D CA -0.391 53.081 54.000 -0.881 0.000 0.795 34 D CB 1.681 42.268 40.800 -0.354 0.000 1.369 34 D HN 0.356 nan 8.370 nan 0.000 0.425 35 L N 1.816 122.571 121.223 -0.780 0.000 4.429 35 L HA -0.122 4.216 4.340 -0.002 0.000 0.422 35 L C 1.204 177.355 176.870 -1.199 0.000 1.149 35 L CA 2.090 56.418 54.840 -0.853 0.000 0.972 35 L CB -1.513 40.469 42.059 -0.129 0.000 2.059 35 L HN 1.056 nan 8.230 nan 0.000 0.870 36 G N -2.401 105.366 108.800 -1.721 0.000 2.143 36 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.248 36 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.248 36 G C 0.723 175.316 174.900 -0.512 0.000 0.991 36 G CA 0.698 45.060 45.100 -1.230 0.000 0.689 36 G HN 1.692 nan 8.290 nan 0.000 0.522 37 A N -1.134 121.424 122.820 -0.438 0.000 2.409 37 A HA 0.503 4.822 4.320 -0.002 0.000 0.246 37 A C 0.527 178.113 177.584 0.005 0.000 1.099 37 A CA 0.841 52.856 52.037 -0.037 0.000 0.789 37 A CB 0.289 19.265 19.000 -0.040 0.000 1.053 37 A HN 0.818 nan 8.150 nan 0.000 0.503 38 W N 0.684 122.115 121.300 0.218 0.000 3.015 38 W HA 0.274 4.933 4.660 -0.001 0.000 0.429 38 W C 0.425 177.274 176.519 0.550 0.000 0.976 38 W CA 0.266 57.803 57.345 0.319 0.000 2.086 38 W CB 0.091 29.707 29.460 0.260 0.000 1.125 38 W HN 0.779 nan 8.180 nan 0.000 0.721 39 H N -1.950 117.433 119.070 0.522 0.000 3.046 39 H HA 0.771 5.324 4.556 -0.005 0.000 0.363 39 H C -0.510 174.728 175.328 -0.149 0.000 1.203 39 H CA -0.928 55.286 56.048 0.277 0.000 1.169 39 H CB 1.245 31.178 29.762 0.286 0.000 1.851 39 H HN -0.041 nan 8.280 nan 0.000 0.546 40 G N 1.065 109.412 108.800 -0.756 0.000 2.630 40 G HA2 0.489 4.447 3.960 -0.002 0.000 0.296 40 G HA3 0.489 4.447 3.960 -0.002 0.000 0.296 40 G C -1.418 172.995 174.900 -0.813 0.000 1.285 40 G CA -0.621 43.608 45.100 -1.451 0.000 0.958 40 G HN 0.705 nan 8.290 nan 0.000 0.479 41 H N -0.799 118.170 119.070 -0.167 0.000 2.821 41 H HA 0.574 5.128 4.556 -0.004 0.000 0.373 41 H C -0.749 174.666 175.328 0.145 0.000 1.165 41 H CA -0.341 55.744 56.048 0.062 0.000 1.154 41 H CB 2.260 32.080 29.762 0.097 0.000 1.765 41 H HN 0.229 nan 8.280 nan 0.000 0.549 42 L N 1.272 122.683 121.223 0.313 0.000 2.279 42 L HA 0.448 4.787 4.340 -0.002 0.000 0.262 42 L C -0.192 176.852 176.870 0.290 0.000 1.019 42 L CA -0.956 54.028 54.840 0.240 0.000 0.823 42 L CB 1.923 44.043 42.059 0.101 0.000 1.358 42 L HN 0.188 nan 8.230 nan 0.000 0.432 43 L N 2.239 123.587 121.223 0.208 0.000 2.379 43 L HA 0.444 4.782 4.340 -0.002 0.000 0.269 43 L C -2.132 174.751 176.870 0.022 0.000 1.084 43 L CA -1.744 53.200 54.840 0.175 0.000 0.802 43 L CB 1.166 43.303 42.059 0.130 0.000 1.175 43 L HN 0.295 nan 8.230 nan 0.000 0.448 44 P HA 0.012 nan 4.420 nan 0.000 0.271 44 P C -0.873 176.385 177.300 -0.071 0.000 1.218 44 P CA -0.148 62.884 63.100 -0.113 0.000 0.780 44 P CB 0.873 32.461 31.700 -0.187 0.000 0.901 45 D N 1.132 121.490 120.400 -0.071 0.000 2.398 45 D HA 0.231 4.870 4.640 -0.002 0.000 0.210 45 D C 0.775 177.054 176.300 -0.035 0.000 1.094 45 D CA -0.224 53.752 54.000 -0.040 0.000 0.839 45 D CB 0.441 41.217 40.800 -0.040 0.000 0.963 45 D HN 0.541 nan 8.370 nan 0.000 0.506 46 G N 0.156 108.926 108.800 -0.051 0.000 2.325 46 G HA2 0.210 4.169 3.960 -0.002 0.000 0.295 46 G HA3 0.210 4.169 3.960 -0.002 0.000 0.295 46 G C -2.495 172.374 174.900 -0.053 0.000 1.274 46 G CA -0.628 44.447 45.100 -0.042 0.000 0.857 46 G HN -0.250 nan 8.290 nan 0.000 0.499 47 P HA -0.044 nan 4.420 nan 0.000 0.218 47 P C 1.318 178.587 177.300 -0.052 0.000 1.148 47 P CA 1.369 64.442 63.100 -0.044 0.000 0.822 47 P CB -0.021 31.656 31.700 -0.038 0.000 0.784 48 N N -1.736 116.932 118.700 -0.054 0.000 2.459 48 N HA -0.053 4.686 4.740 -0.002 0.000 0.181 48 N C 0.945 176.413 175.510 -0.070 0.000 1.046 48 N CA 1.341 54.357 53.050 -0.058 0.000 0.904 48 N CB -0.097 38.358 38.487 -0.054 0.000 0.964 48 N HN 0.289 nan 8.380 nan 0.000 0.444 49 T N -2.720 111.785 114.554 -0.082 0.000 3.004 49 T HA 0.188 4.536 4.350 -0.002 0.000 0.266 49 T C 0.523 175.148 174.700 -0.126 0.000 0.986 49 T CA -0.441 61.600 62.100 -0.099 0.000 0.902 49 T CB 0.123 68.926 68.868 -0.108 0.000 1.118 49 T HN 0.012 nan 8.240 nan 0.000 0.522 50 M N 2.259 121.788 119.600 -0.118 0.000 2.261 50 M HA 0.365 4.844 4.480 -0.002 0.000 0.350 50 M C 1.294 177.495 176.300 -0.166 0.000 1.343 50 M CA 2.127 57.339 55.300 -0.148 0.000 1.003 50 M CB -0.126 32.415 32.600 -0.099 0.000 1.848 50 M HN 0.590 nan 8.290 nan 0.000 0.456 51 G N 2.653 111.306 108.800 -0.245 0.000 2.201 51 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.212 51 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.212 51 G C -0.066 174.713 174.900 -0.201 0.000 0.994 51 G CA -0.214 44.748 45.100 -0.231 0.000 0.644 51 G HN 1.311 nan 8.290 nan 0.000 0.508 52 G N -1.180 107.457 108.800 -0.272 0.000 2.682 52 G HA2 0.639 4.598 3.960 -0.002 0.000 0.290 52 G HA3 0.639 4.598 3.960 -0.002 0.000 0.290 52 G C -1.381 173.265 174.900 -0.423 0.000 1.425 52 G CA -0.920 44.049 45.100 -0.218 0.000 0.807 52 G HN 0.452 nan 8.290 nan 0.000 0.482 53 F N 2.463 122.437 119.950 0.040 0.000 2.293 53 F HA 0.386 4.912 4.527 -0.001 0.000 0.370 53 F C -1.532 174.302 175.800 0.056 0.000 1.090 53 F CA -1.810 56.210 58.000 0.032 0.000 1.133 53 F CB 1.830 40.842 39.000 0.019 0.000 1.360 53 F HN 0.133 nan 8.300 nan 0.000 0.489 54 P HA 0.180 nan 4.420 nan 0.000 0.274 54 P C 0.358 177.675 177.300 0.029 0.000 1.260 54 P CA -0.018 63.103 63.100 0.035 0.000 0.793 54 P CB 0.921 32.574 31.700 -0.079 0.000 1.048 55 G N -0.682 108.082 108.800 -0.061 0.000 2.351 55 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.297 55 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.297 55 G C -0.060 174.943 174.900 0.171 0.000 1.054 55 G CA -0.278 44.771 45.100 -0.086 0.000 1.123 55 G HN 0.470 nan 8.290 nan 0.000 0.512 56 V N 0.459 120.420 119.914 0.078 0.000 2.475 56 V HA 0.364 4.482 4.120 -0.002 0.000 0.292 56 V C 1.145 177.255 176.094 0.026 0.000 1.003 56 V CA 0.817 63.086 62.300 -0.053 0.000 1.120 56 V CB 0.637 32.236 31.823 -0.374 0.000 0.937 56 V HN 1.364 nan 8.190 nan 0.000 0.476 57 A N 7.666 130.477 122.820 -0.016 0.000 2.249 57 A HA 0.725 5.044 4.320 -0.002 0.000 0.314 57 A C -0.499 177.041 177.584 -0.073 0.000 1.290 57 A CA -0.539 51.458 52.037 -0.067 0.000 0.893 57 A CB 0.316 19.279 19.000 -0.061 0.000 1.165 57 A HN 0.799 nan 8.150 nan 0.000 0.530 58 L N 3.351 124.481 121.223 -0.155 0.000 2.295 58 L HA 0.367 4.706 4.340 -0.002 0.000 0.285 58 L C -0.451 176.414 176.870 -0.008 0.000 1.035 58 L CA -0.422 54.298 54.840 -0.199 0.000 0.806 58 L CB 1.447 43.188 42.059 -0.530 0.000 1.214 58 L HN 0.585 nan 8.230 nan 0.000 0.426 59 L N 3.574 124.932 121.223 0.225 0.000 2.328 59 L HA 0.175 4.514 4.340 -0.002 0.000 0.280 59 L C 0.606 177.677 176.870 0.334 0.000 1.111 59 L CA -0.373 54.614 54.840 0.246 0.000 0.909 59 L CB 0.400 42.587 42.059 0.215 0.000 1.277 59 L HN 0.658 nan 8.230 nan 0.000 0.433 60 T N -1.076 113.553 114.554 0.125 0.000 3.842 60 T HA 0.192 4.541 4.350 -0.002 0.000 0.267 60 T C 0.758 175.400 174.700 -0.097 0.000 1.173 60 T CA -0.402 61.701 62.100 0.004 0.000 1.142 60 T CB 0.049 68.869 68.868 -0.080 0.000 1.191 60 T HN 0.745 nan 8.240 nan 0.000 0.895 61 E N 1.234 121.311 120.200 -0.206 0.000 4.876 61 E HA -0.333 4.015 4.350 -0.002 0.000 0.174 61 E C 0.838 177.471 176.600 0.055 0.000 1.304 61 E CA 2.259 58.417 56.400 -0.404 0.000 2.277 61 E CB -1.051 28.145 29.700 -0.839 0.000 1.860 61 E HN 0.818 nan 8.360 nan 0.000 0.382 62 E N -1.462 118.652 120.200 -0.143 0.000 2.743 62 E HA 0.209 4.558 4.350 -0.002 0.000 0.222 62 E C -0.964 175.191 176.600 -0.742 0.000 0.959 62 E CA -0.061 56.112 56.400 -0.379 0.000 1.198 62 E CB 0.897 30.280 29.700 -0.529 0.000 1.100 62 E HN 0.160 nan 8.360 nan 0.000 0.518 63 Y N -0.296 120.027 120.300 0.039 0.000 2.588 63 Y HA 0.418 4.967 4.550 -0.002 0.000 0.343 63 Y C -0.696 175.176 175.900 -0.046 0.000 1.065 63 Y CA -1.465 56.627 58.100 -0.015 0.000 1.038 63 Y CB 1.124 39.557 38.460 -0.044 0.000 1.297 63 Y HN -0.118 nan 8.280 nan 0.000 0.467 64 I N 3.077 123.704 120.570 0.094 0.000 2.321 64 I HA 0.475 4.644 4.170 -0.002 0.000 0.291 64 I C -1.239 174.833 176.117 -0.076 0.000 0.998 64 I CA -0.653 60.631 61.300 -0.026 0.000 1.227 64 I CB 0.141 38.094 38.000 -0.079 0.000 1.368 64 I HN 0.549 nan 8.210 nan 0.000 0.466 65 N N 6.785 125.402 118.700 -0.138 0.000 2.310 65 N HA 0.334 5.072 4.740 -0.002 0.000 0.292 65 N C -1.333 174.073 175.510 -0.173 0.000 1.049 65 N CA -0.330 52.637 53.050 -0.138 0.000 0.849 65 N CB 1.519 39.953 38.487 -0.088 0.000 1.532 65 N HN 0.302 nan 8.380 nan 0.000 0.479 66 F N 1.652 121.619 119.950 0.029 0.000 2.443 66 F HA 0.215 4.740 4.527 -0.002 0.000 0.353 66 F C 1.887 177.658 175.800 -0.048 0.000 1.101 66 F CA -0.194 57.805 58.000 -0.003 0.000 1.226 66 F CB 1.012 40.041 39.000 0.049 0.000 1.140 66 F HN 0.454 nan 8.300 nan 0.000 0.557 67 M N 2.334 121.978 119.600 0.074 0.000 2.545 67 M HA 0.443 4.922 4.480 -0.002 0.000 0.264 67 M C -0.070 176.199 176.300 -0.052 0.000 1.155 67 M CA 0.738 56.003 55.300 -0.057 0.000 1.162 67 M CB 0.429 32.856 32.600 -0.288 0.000 1.330 67 M HN 0.617 nan 8.290 nan 0.000 0.479 68 A N -1.250 121.544 122.820 -0.043 0.000 2.601 68 A HA 0.506 4.824 4.320 -0.002 0.000 0.291 68 A C -0.120 177.452 177.584 -0.019 0.000 1.075 68 A CA -0.336 51.696 52.037 -0.008 0.000 0.671 68 A CB 0.809 19.830 19.000 0.035 0.000 1.277 68 A HN 0.140 nan 8.150 nan 0.000 0.417 69 S N -0.098 115.588 115.700 -0.024 0.000 2.339 69 S HA 0.150 4.619 4.470 -0.002 0.000 0.189 69 S C 0.663 175.259 174.600 -0.008 0.000 0.966 69 S CA 0.537 58.686 58.200 -0.086 0.000 0.925 69 S CB -0.388 62.743 63.200 -0.114 0.000 0.890 69 S HN 0.727 nan 8.310 nan 0.000 0.539 70 N N 0.154 118.863 118.700 0.014 0.000 2.488 70 N HA 0.395 5.134 4.740 -0.002 0.000 0.274 70 N C -1.588 174.021 175.510 0.165 0.000 1.111 70 N CA 0.031 53.105 53.050 0.039 0.000 0.974 70 N CB 0.684 39.152 38.487 -0.032 0.000 1.089 70 N HN 0.267 nan 8.380 nan 0.000 0.465 71 F N 2.069 122.038 119.950 0.030 0.000 2.915 71 F HA 0.148 4.672 4.527 -0.004 0.000 0.350 71 F C -0.642 175.291 175.800 0.222 0.000 1.248 71 F CA -0.555 57.525 58.000 0.133 0.000 1.084 71 F CB 0.846 39.919 39.000 0.122 0.000 1.391 71 F HN 0.487 nan 8.300 nan 0.000 0.548 72 D N 2.861 123.280 120.400 0.032 0.000 2.914 72 D HA -0.222 4.417 4.640 -0.002 0.000 0.226 72 D C -0.172 176.338 176.300 0.350 0.000 1.112 72 D CA 0.674 54.860 54.000 0.311 0.000 0.778 72 D CB -0.412 40.615 40.800 0.378 0.000 1.095 72 D HN 0.706 nan 8.370 nan 0.000 0.436 73 R N 0.632 121.232 120.500 0.167 0.000 2.298 73 R HA 0.431 4.769 4.340 -0.002 0.000 0.310 73 R C -0.373 175.986 176.300 0.099 0.000 1.068 73 R CA -0.613 55.549 56.100 0.104 0.000 0.957 73 R CB 0.507 30.800 30.300 -0.011 0.000 1.003 73 R HN 0.254 nan 8.270 nan 0.000 0.454 74 L N 4.502 125.748 121.223 0.038 0.000 2.292 74 L HA 0.383 4.722 4.340 -0.002 0.000 0.284 74 L C -0.732 176.038 176.870 -0.167 0.000 1.065 74 L CA 0.313 55.030 54.840 -0.206 0.000 0.806 74 L CB 1.657 43.588 42.059 -0.214 0.000 1.175 74 L HN 0.838 nan 8.230 nan 0.000 0.431 75 T N 2.214 116.671 114.554 -0.162 0.000 2.876 75 T HA 0.767 5.116 4.350 -0.002 0.000 0.289 75 T C -0.689 174.003 174.700 -0.013 0.000 1.014 75 T CA -0.785 61.294 62.100 -0.035 0.000 0.986 75 T CB 1.524 70.428 68.868 0.060 0.000 1.021 75 T HN 0.387 nan 8.240 nan 0.000 0.458 76 V N 1.987 121.877 119.914 -0.039 0.000 2.628 76 V HA 0.670 4.789 4.120 -0.002 0.000 0.306 76 V C -1.233 174.697 176.094 -0.274 0.000 1.045 76 V CA -0.888 61.407 62.300 -0.010 0.000 0.905 76 V CB 1.519 33.425 31.823 0.137 0.000 0.997 76 V HN 0.965 nan 8.190 nan 0.000 0.436 77 W N 2.561 123.807 121.300 -0.090 0.000 2.785 77 W HA 0.730 5.388 4.660 -0.003 0.000 0.333 77 W C -0.487 175.991 176.519 -0.069 0.000 1.062 77 W CA -0.782 56.512 57.345 -0.084 0.000 1.233 77 W CB 1.697 31.116 29.460 -0.069 0.000 1.413 77 W HN 0.555 nan 8.180 nan 0.000 0.489 78 Q N 0.683 120.544 119.800 0.101 0.000 2.327 78 Q HA 0.454 4.793 4.340 -0.002 0.000 0.270 78 Q C -0.560 175.484 176.000 0.073 0.000 1.022 78 Q CA -0.820 55.017 55.803 0.056 0.000 0.773 78 Q CB 1.773 30.500 28.738 -0.019 0.000 1.251 78 Q HN 0.503 nan 8.270 nan 0.000 0.457 79 D N 2.839 123.291 120.400 0.087 0.000 2.697 79 D HA -0.202 4.436 4.640 -0.002 0.000 0.235 79 D C 0.920 177.271 176.300 0.085 0.000 1.167 79 D CA 2.261 56.305 54.000 0.072 0.000 0.656 79 D CB -1.089 39.736 40.800 0.042 0.000 1.025 79 D HN 1.323 nan 8.370 nan 0.000 0.419 80 G N 0.027 108.906 108.800 0.132 0.000 2.212 80 G HA2 -0.386 3.572 3.960 -0.002 0.000 0.266 80 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.266 80 G C 0.383 175.453 174.900 0.283 0.000 0.978 80 G CA 0.677 45.874 45.100 0.161 0.000 0.632 80 G HN 0.716 nan 8.290 nan 0.000 0.537 81 K N 0.729 121.258 120.400 0.214 0.000 2.274 81 K HA 0.515 4.834 4.320 -0.002 0.000 0.262 81 K C 0.312 176.855 176.600 -0.095 0.000 0.961 81 K CA -0.850 55.499 56.287 0.104 0.000 0.833 81 K CB 0.818 33.314 32.500 -0.008 0.000 1.102 81 K HN 0.131 nan 8.250 nan 0.000 0.436 82 K N 2.991 123.094 120.400 -0.494 0.000 2.401 82 K HA 0.068 4.387 4.320 -0.002 0.000 0.278 82 K C -0.651 175.543 176.600 -0.677 0.000 1.018 82 K CA -0.399 55.205 56.287 -1.139 0.000 0.981 82 K CB 0.724 32.284 32.500 -1.567 0.000 0.933 82 K HN 0.323 nan 8.250 nan 0.000 0.477 83 V N 3.864 123.356 119.914 -0.703 0.000 2.530 83 V HA 0.001 4.119 4.120 -0.002 0.000 0.282 83 V C -0.056 175.537 176.094 -0.834 0.000 1.048 83 V CA -0.306 61.557 62.300 -0.728 0.000 0.997 83 V CB 1.255 32.539 31.823 -0.897 0.000 0.987 83 V HN 0.814 nan 8.190 nan 0.000 0.477 84 D N 3.800 123.808 120.400 -0.653 0.000 2.359 84 D HA 0.426 5.065 4.640 -0.002 0.000 0.230 84 D C -0.763 175.265 176.300 -0.454 0.000 1.118 84 D CA -0.127 53.598 54.000 -0.457 0.000 0.844 84 D CB 0.359 40.994 40.800 -0.275 0.000 1.059 84 D HN 0.214 nan 8.370 nan 0.000 0.493 85 F N 1.407 121.275 119.950 -0.137 0.000 2.432 85 F HA 0.437 4.963 4.527 -0.001 0.000 0.329 85 F C 1.045 176.790 175.800 -0.092 0.000 1.076 85 F CA -0.819 57.114 58.000 -0.111 0.000 1.018 85 F CB 1.716 40.643 39.000 -0.120 0.000 1.201 85 F HN 0.154 nan 8.300 nan 0.000 0.489 86 T N 0.675 115.319 114.554 0.150 0.000 2.859 86 T HA 0.682 5.031 4.350 -0.002 0.000 0.281 86 T C -1.002 173.722 174.700 0.039 0.000 1.005 86 T CA -0.771 61.364 62.100 0.058 0.000 1.025 86 T CB 1.662 70.550 68.868 0.033 0.000 0.977 86 T HN 0.515 nan 8.240 nan 0.000 0.458 87 L N 1.152 122.378 121.223 0.004 0.000 2.331 87 L HA 0.740 5.079 4.340 -0.002 0.000 0.275 87 L C -0.362 176.500 176.870 -0.013 0.000 1.022 87 L CA -0.476 54.346 54.840 -0.030 0.000 0.812 87 L CB 1.536 43.563 42.059 -0.054 0.000 1.257 87 L HN 0.982 nan 8.230 nan 0.000 0.435 88 E N 3.815 124.002 120.200 -0.021 0.000 2.281 88 E HA 0.722 5.071 4.350 -0.002 0.000 0.266 88 E C -2.028 174.568 176.600 -0.006 0.000 0.893 88 E CA -0.691 55.728 56.400 0.031 0.000 0.798 88 E CB 1.544 31.287 29.700 0.072 0.000 1.245 88 E HN 0.887 nan 8.360 nan 0.000 0.410 89 A N 3.797 126.632 122.820 0.024 0.000 2.414 89 A HA 0.790 5.108 4.320 -0.002 0.000 0.306 89 A C -1.757 175.876 177.584 0.082 0.000 1.054 89 A CA -0.627 51.379 52.037 -0.051 0.000 0.724 89 A CB 0.808 19.772 19.000 -0.060 0.000 1.267 89 A HN 0.650 nan 8.150 nan 0.000 0.418 90 Y N -0.733 119.588 120.300 0.035 0.000 2.641 90 Y HA 0.747 5.295 4.550 -0.002 0.000 0.333 90 Y C -0.303 175.597 175.900 0.001 0.000 1.174 90 Y CA -0.753 57.360 58.100 0.021 0.000 1.057 90 Y CB 0.594 39.057 38.460 0.006 0.000 1.322 90 Y HN 0.981 nan 8.280 nan 0.000 0.457 91 S N 2.599 118.429 115.700 0.216 0.000 2.638 91 S HA 0.931 5.400 4.470 -0.002 0.000 0.298 91 S C -0.613 174.048 174.600 0.101 0.000 1.111 91 S CA -0.422 57.802 58.200 0.040 0.000 1.027 91 S CB 1.632 64.816 63.200 -0.026 0.000 1.064 91 S HN 1.203 nan 8.310 nan 0.000 0.525 92 I N -3.229 117.303 120.570 -0.063 0.000 3.095 92 I HA 0.621 4.790 4.170 -0.002 0.000 0.310 92 I C -3.279 172.692 176.117 -0.245 0.000 1.196 92 I CA -3.357 57.919 61.300 -0.040 0.000 0.985 92 I CB 1.826 39.843 38.000 0.030 0.000 1.250 92 I HN 0.280 nan 8.210 nan 0.000 0.446 93 P HA 0.174 nan 4.420 nan 0.000 0.261 93 P C 0.686 177.338 177.300 -1.079 0.000 1.203 93 P CA 1.170 64.016 63.100 -0.423 0.000 0.767 93 P CB 0.425 32.184 31.700 0.098 0.000 0.785 94 G N 2.226 109.935 108.800 -1.818 0.000 2.176 94 G HA2 0.028 3.986 3.960 -0.002 0.000 0.232 94 G HA3 0.028 3.986 3.960 -0.002 0.000 0.232 94 G C 0.123 174.595 174.900 -0.713 0.000 0.986 94 G CA -0.070 43.946 45.100 -1.808 0.000 0.643 94 G HN 0.893 nan 8.290 nan 0.000 0.522 95 A N -0.891 121.371 122.820 -0.930 0.000 2.601 95 A HA 0.782 5.101 4.320 -0.002 0.000 0.291 95 A C -1.154 176.005 177.584 -0.709 0.000 1.075 95 A CA -0.530 51.089 52.037 -0.698 0.000 0.671 95 A CB 0.938 19.774 19.000 -0.273 0.000 1.277 95 A HN 0.871 nan 8.150 nan 0.000 0.417 96 L N 0.945 121.858 121.223 -0.516 0.000 2.346 96 L HA 0.771 5.109 4.340 -0.002 0.000 0.276 96 L C -0.924 175.815 176.870 -0.220 0.000 1.006 96 L CA -1.020 53.615 54.840 -0.342 0.000 0.817 96 L CB 1.848 43.697 42.059 -0.350 0.000 1.272 96 L HN 0.510 nan 8.230 nan 0.000 0.421 97 V N 2.316 122.114 119.914 -0.192 0.000 2.876 97 V HA 0.526 4.645 4.120 -0.002 0.000 0.312 97 V C -0.891 175.032 176.094 -0.285 0.000 1.085 97 V CA -0.599 61.538 62.300 -0.271 0.000 0.945 97 V CB 2.190 33.613 31.823 -0.667 0.000 1.017 97 V HN 0.892 nan 8.190 nan 0.000 0.428 98 Q N 2.341 122.043 119.800 -0.162 0.000 2.320 98 Q HA 0.680 5.019 4.340 -0.002 0.000 0.272 98 Q C -1.829 174.061 176.000 -0.184 0.000 1.023 98 Q CA -1.066 54.605 55.803 -0.220 0.000 0.855 98 Q CB 2.725 31.282 28.738 -0.302 0.000 1.367 98 Q HN 0.627 nan 8.270 nan 0.000 0.406 99 K N 3.079 123.386 120.400 -0.155 0.000 2.323 99 K HA 0.529 4.848 4.320 -0.002 0.000 0.259 99 K C -1.001 175.509 176.600 -0.150 0.000 0.947 99 K CA -0.550 55.663 56.287 -0.123 0.000 0.819 99 K CB 1.835 34.310 32.500 -0.042 0.000 1.109 99 K HN 0.526 nan 8.250 nan 0.000 0.429 100 L N 2.792 123.869 121.223 -0.243 0.000 2.287 100 L HA 0.410 4.749 4.340 -0.002 0.000 0.287 100 L C -0.349 176.456 176.870 -0.110 0.000 1.022 100 L CA -0.629 54.008 54.840 -0.338 0.000 0.814 100 L CB 1.615 43.092 42.059 -0.970 0.000 1.217 100 L HN 0.593 nan 8.230 nan 0.000 0.420 101 T N 2.358 116.981 114.554 0.115 0.000 2.807 101 T HA 0.782 5.130 4.350 -0.002 0.000 0.279 101 T C -0.193 174.664 174.700 0.260 0.000 0.993 101 T CA -0.487 61.720 62.100 0.178 0.000 0.970 101 T CB 2.082 70.995 68.868 0.075 0.000 0.950 101 T HN 0.722 nan 8.240 nan 0.000 0.441 102 A N 2.203 125.141 122.820 0.197 0.000 2.564 102 A HA 0.785 5.104 4.320 -0.002 0.000 0.288 102 A C 1.018 178.594 177.584 -0.013 0.000 1.164 102 A CA -0.718 51.319 52.037 -0.000 0.000 0.712 102 A CB 1.292 20.141 19.000 -0.251 0.000 1.303 102 A HN 0.636 nan 8.150 nan 0.000 0.418 103 K N 0.136 120.498 120.400 -0.063 0.000 1.991 103 K HA -0.128 4.191 4.320 -0.002 0.000 0.212 103 K C 0.678 177.261 176.600 -0.028 0.000 1.049 103 K CA 2.848 59.109 56.287 -0.042 0.000 0.932 103 K CB -0.127 32.339 32.500 -0.058 0.000 0.717 103 K HN 0.647 nan 8.250 nan 0.000 0.441 104 D N -0.722 119.651 120.400 -0.044 0.000 2.366 104 D HA 0.075 4.713 4.640 -0.002 0.000 0.205 104 D C -0.250 176.050 176.300 -0.001 0.000 1.022 104 D CA 0.220 54.205 54.000 -0.026 0.000 0.868 104 D CB 0.673 41.449 40.800 -0.039 0.000 0.953 104 D HN 0.003 nan 8.370 nan 0.000 0.514 105 V N 0.933 120.858 119.914 0.018 0.000 2.735 105 V HA 0.403 4.522 4.120 -0.002 0.000 0.310 105 V C -0.737 175.493 176.094 0.227 0.000 1.061 105 V CA -0.774 61.588 62.300 0.104 0.000 0.913 105 V CB 2.249 34.145 31.823 0.122 0.000 1.005 105 V HN -0.176 nan 8.190 nan 0.000 0.428 106 Q N 2.047 121.938 119.800 0.152 0.000 2.389 106 Q HA 0.802 5.140 4.340 -0.002 0.000 0.277 106 Q C -1.406 174.577 176.000 -0.028 0.000 1.082 106 Q CA -0.518 55.338 55.803 0.087 0.000 0.810 106 Q CB 2.867 31.629 28.738 0.041 0.000 1.374 106 Q HN 0.546 nan 8.270 nan 0.000 0.422 107 V N 0.984 120.797 119.914 -0.168 0.000 2.638 107 V HA 0.502 4.620 4.120 -0.002 0.000 0.306 107 V C -0.980 175.014 176.094 -0.167 0.000 1.052 107 V CA -0.734 61.444 62.300 -0.203 0.000 0.885 107 V CB 2.013 33.615 31.823 -0.368 0.000 0.999 107 V HN 0.755 nan 8.190 nan 0.000 0.424 108 E N 4.559 124.697 120.200 -0.103 0.000 2.182 108 E HA 0.594 4.943 4.350 -0.002 0.000 0.258 108 E C -1.292 175.277 176.600 -0.051 0.000 0.879 108 E CA -0.570 55.786 56.400 -0.073 0.000 0.754 108 E CB 1.384 31.062 29.700 -0.036 0.000 1.162 108 E HN 0.669 nan 8.360 nan 0.000 0.419 109 M N 2.669 122.250 119.600 -0.031 0.000 2.294 109 M HA 0.348 4.826 4.480 -0.002 0.000 0.335 109 M C -0.842 175.526 176.300 0.114 0.000 1.079 109 M CA -0.411 54.928 55.300 0.064 0.000 0.982 109 M CB 2.224 34.903 32.600 0.132 0.000 1.651 109 M HN 0.304 nan 8.290 nan 0.000 0.437 110 T N 3.725 118.317 114.554 0.064 0.000 2.841 110 T HA 0.580 4.929 4.350 -0.002 0.000 0.285 110 T C -1.317 173.341 174.700 -0.070 0.000 0.991 110 T CA -0.564 61.533 62.100 -0.004 0.000 0.966 110 T CB 1.503 70.372 68.868 0.002 0.000 0.962 110 T HN 0.422 nan 8.240 nan 0.000 0.438 111 L N 4.253 125.336 121.223 -0.233 0.000 2.305 111 L HA 0.700 5.038 4.340 -0.002 0.000 0.284 111 L C -0.368 176.447 176.870 -0.091 0.000 1.013 111 L CA -0.166 54.493 54.840 -0.301 0.000 0.819 111 L CB 0.754 42.346 42.059 -0.778 0.000 1.227 111 L HN 0.572 nan 8.230 nan 0.000 0.417 112 R N 3.237 123.739 120.500 0.003 0.000 2.836 112 R HA 0.554 4.892 4.340 -0.002 0.000 0.269 112 R C -1.462 174.904 176.300 0.110 0.000 1.010 112 R CA -0.785 55.438 56.100 0.205 0.000 0.930 112 R CB 1.774 32.185 30.300 0.184 0.000 1.218 112 R HN 0.354 nan 8.270 nan 0.000 0.473 113 F N 0.057 120.133 119.950 0.209 0.000 2.399 113 F HA 0.382 4.906 4.527 -0.006 0.000 0.334 113 F C 0.915 176.819 175.800 0.173 0.000 1.097 113 F CA 0.005 58.087 58.000 0.136 0.000 1.076 113 F CB 1.857 40.876 39.000 0.032 0.000 1.162 113 F HN 0.686 nan 8.300 nan 0.000 0.495 114 A N 1.301 124.275 122.820 0.256 0.000 2.055 114 A HA 0.285 4.603 4.320 -0.002 0.000 0.205 114 A C 0.697 178.455 177.584 0.289 0.000 1.235 114 A CA 0.996 53.185 52.037 0.254 0.000 0.822 114 A CB -0.109 18.870 19.000 -0.034 0.000 0.903 114 A HN 0.691 nan 8.150 nan 0.000 0.473 115 T N -5.381 109.320 114.554 0.244 0.000 2.812 115 T HA 0.520 4.869 4.350 -0.002 0.000 0.294 115 T C -2.960 171.883 174.700 0.238 0.000 1.159 115 T CA -1.321 60.917 62.100 0.230 0.000 1.008 115 T CB 1.281 70.247 68.868 0.164 0.000 1.289 115 T HN -0.165 nan 8.240 nan 0.000 0.514 116 P HA 0.226 nan 4.420 nan 0.000 0.244 116 P C 0.668 178.140 177.300 0.287 0.000 1.211 116 P CA 0.277 63.487 63.100 0.183 0.000 0.760 116 P CB 0.106 31.916 31.700 0.183 0.000 0.961 117 R N -3.007 117.678 120.500 0.310 0.000 2.526 117 R HA 0.257 4.595 4.340 -0.002 0.000 0.346 117 R C -0.203 176.377 176.300 0.468 0.000 0.926 117 R CA 0.345 56.673 56.100 0.381 0.000 1.147 117 R CB 0.546 30.980 30.300 0.223 0.000 1.629 117 R HN 0.046 nan 8.270 nan 0.000 0.516 118 T N 1.048 115.850 114.554 0.413 0.000 2.921 118 T HA 0.351 4.699 4.350 -0.002 0.000 0.297 118 T C -0.414 174.408 174.700 0.203 0.000 1.013 118 T CA -0.539 61.752 62.100 0.317 0.000 0.990 118 T CB 2.497 71.418 68.868 0.088 0.000 1.023 118 T HN 0.081 nan 8.240 nan 0.000 0.447 119 S N 2.311 118.068 115.700 0.097 0.000 2.593 119 S HA 0.835 5.304 4.470 -0.002 0.000 0.297 119 S C -0.870 173.626 174.600 -0.174 0.000 1.112 119 S CA -0.956 57.052 58.200 -0.321 0.000 1.043 119 S CB 1.489 64.321 63.200 -0.613 0.000 1.054 119 S HN 0.565 nan 8.310 nan 0.000 0.516 120 L N 2.197 123.307 121.223 -0.187 0.000 2.356 120 L HA 0.746 5.085 4.340 -0.002 0.000 0.277 120 L C -1.366 175.426 176.870 -0.131 0.000 0.996 120 L CA -0.932 53.822 54.840 -0.144 0.000 0.822 120 L CB 1.574 43.604 42.059 -0.048 0.000 1.256 120 L HN 0.826 nan 8.230 nan 0.000 0.413 121 L N 4.470 125.589 121.223 -0.172 0.000 2.305 121 L HA 0.547 4.886 4.340 -0.002 0.000 0.284 121 L C -0.524 176.328 176.870 -0.030 0.000 1.013 121 L CA 0.014 54.790 54.840 -0.106 0.000 0.819 121 L CB 1.439 43.422 42.059 -0.126 0.000 1.227 121 L HN 0.800 nan 8.230 nan 0.000 0.417 122 E N 3.058 123.256 120.200 -0.005 0.000 2.134 122 E HA 0.359 4.708 4.350 -0.002 0.000 0.278 122 E C -1.183 175.340 176.600 -0.128 0.000 0.959 122 E CA -0.430 55.895 56.400 -0.125 0.000 0.783 122 E CB 0.939 30.651 29.700 0.019 0.000 1.095 122 E HN 0.699 nan 8.360 nan 0.000 0.399 123 T N 5.627 120.053 114.554 -0.214 0.000 2.947 123 T HA 0.168 4.517 4.350 -0.002 0.000 0.337 123 T C -0.357 174.265 174.700 -0.130 0.000 1.139 123 T CA -0.541 61.503 62.100 -0.093 0.000 0.992 123 T CB 0.463 69.339 68.868 0.014 0.000 1.043 123 T HN 0.308 nan 8.240 nan 0.000 0.498 124 K N 4.488 124.829 120.400 -0.100 0.000 2.267 124 K HA 0.397 4.716 4.320 -0.002 0.000 0.282 124 K C -0.917 175.650 176.600 -0.055 0.000 1.078 124 K CA -0.548 55.692 56.287 -0.078 0.000 0.903 124 K CB 0.204 32.675 32.500 -0.048 0.000 1.111 124 K HN 0.363 nan 8.250 nan 0.000 0.475 125 I N 3.241 123.785 120.570 -0.042 0.000 2.377 125 I HA 0.172 4.341 4.170 -0.002 0.000 0.293 125 I C -0.099 176.011 176.117 -0.011 0.000 0.987 125 I CA -0.282 61.002 61.300 -0.028 0.000 1.185 125 I CB 2.060 40.049 38.000 -0.020 0.000 1.341 125 I HN 0.430 nan 8.210 nan 0.000 0.455 126 T N 4.463 119.017 114.554 -0.000 0.000 2.772 126 T HA 0.601 4.949 4.350 -0.002 0.000 0.288 126 T C -0.441 174.269 174.700 0.017 0.000 0.994 126 T CA -0.553 61.552 62.100 0.009 0.000 0.951 126 T CB 0.853 69.728 68.868 0.011 0.000 0.933 126 T HN 0.561 nan 8.240 nan 0.000 0.447 127 S N 2.274 117.979 115.700 0.009 0.000 2.533 127 S HA 0.333 4.802 4.470 -0.002 0.000 0.271 127 S C 0.395 174.997 174.600 0.002 0.000 1.143 127 S CA -0.881 57.323 58.200 0.007 0.000 0.891 127 S CB 0.856 64.056 63.200 0.000 0.000 1.105 127 S HN 0.710 nan 8.310 nan 0.000 0.468 128 N N 2.945 121.646 118.700 0.002 0.000 2.336 128 N HA 0.167 4.906 4.740 -0.002 0.000 0.189 128 N C -0.273 175.238 175.510 0.002 0.000 1.113 128 N CA -0.086 52.966 53.050 0.003 0.000 0.858 128 N CB 0.106 38.594 38.487 0.002 0.000 0.970 128 N HN 0.493 nan 8.380 nan 0.000 0.471 129 K N 0.141 120.540 120.400 -0.002 0.000 2.509 129 K HA 0.497 4.816 4.320 -0.002 0.000 0.266 129 K C -3.010 173.583 176.600 -0.011 0.000 0.987 129 K CA -1.917 54.371 56.287 0.002 0.000 0.868 129 K CB 2.081 34.583 32.500 0.004 0.000 1.421 129 K HN -0.189 nan 8.250 nan 0.000 0.444 130 P HA 0.162 nan 4.420 nan 0.000 0.269 130 P C -0.979 176.265 177.300 -0.093 0.000 1.215 130 P CA 0.024 63.087 63.100 -0.062 0.000 0.780 130 P CB 0.514 32.250 31.700 0.060 0.000 0.898 131 L N 1.370 122.451 121.223 -0.236 0.000 2.359 131 L HA 0.491 4.830 4.340 -0.002 0.000 0.256 131 L C -0.534 176.231 176.870 -0.174 0.000 1.026 131 L CA -0.791 53.972 54.840 -0.127 0.000 0.828 131 L CB 2.247 44.264 42.059 -0.069 0.000 1.406 131 L HN 0.177 nan 8.230 nan 0.000 0.413 132 D N 2.505 122.915 120.400 0.017 0.000 2.344 132 D HA 0.526 5.165 4.640 -0.002 0.000 0.239 132 D C -0.820 175.499 176.300 0.033 0.000 1.064 132 D CA -0.223 53.813 54.000 0.060 0.000 0.829 132 D CB 2.325 43.194 40.800 0.114 0.000 1.129 132 D HN 0.207 nan 8.370 nan 0.000 0.506 133 L N 1.303 122.474 121.223 -0.087 0.000 2.334 133 L HA 0.635 4.974 4.340 -0.002 0.000 0.275 133 L C -0.183 176.457 176.870 -0.384 0.000 1.036 133 L CA -1.007 53.640 54.840 -0.322 0.000 0.807 133 L CB 1.767 43.465 42.059 -0.601 0.000 1.231 133 L HN -0.041 nan 8.230 nan 0.000 0.438 134 V N 0.678 120.311 119.914 -0.468 0.000 2.686 134 V HA 0.456 4.575 4.120 -0.002 0.000 0.306 134 V C -1.042 174.840 176.094 -0.353 0.000 1.065 134 V CA -0.611 61.536 62.300 -0.256 0.000 0.894 134 V CB 2.325 34.119 31.823 -0.048 0.000 1.004 134 V HN 0.607 nan 8.190 nan 0.000 0.424 135 W N 3.484 124.822 121.300 0.063 0.000 2.702 135 W HA 0.610 5.272 4.660 0.003 0.000 0.331 135 W C -0.651 175.790 176.519 -0.130 0.000 1.049 135 W CA -0.467 56.900 57.345 0.038 0.000 1.230 135 W CB 2.313 31.865 29.460 0.153 0.000 1.408 135 W HN 0.757 nan 8.180 nan 0.000 0.492 136 D N 0.516 120.831 120.400 -0.142 0.000 2.523 136 D HA 0.757 5.396 4.640 -0.002 0.000 0.236 136 D C -0.553 175.183 176.300 -0.941 0.000 1.094 136 D CA -0.504 53.115 54.000 -0.636 0.000 0.942 136 D CB 2.644 43.249 40.800 -0.326 0.000 1.447 136 D HN 0.425 nan 8.370 nan 0.000 0.479 137 G N -0.617 107.417 108.800 -1.276 0.000 2.673 137 G HA2 0.483 4.442 3.960 -0.002 0.000 0.292 137 G HA3 0.483 4.442 3.960 -0.002 0.000 0.292 137 G C -1.889 172.841 174.900 -0.284 0.000 1.450 137 G CA -0.769 43.877 45.100 -0.756 0.000 0.837 137 G HN 0.609 nan 8.290 nan 0.000 0.505 138 E N 0.425 120.688 120.200 0.104 0.000 2.343 138 E HA 0.371 4.720 4.350 -0.002 0.000 0.286 138 E C -0.708 176.021 176.600 0.215 0.000 0.915 138 E CA -0.656 55.826 56.400 0.136 0.000 0.784 138 E CB 1.730 31.440 29.700 0.017 0.000 1.251 138 E HN 0.473 nan 8.360 nan 0.000 0.407 139 L N 4.153 125.496 121.223 0.200 0.000 2.439 139 L HA 0.276 4.614 4.340 -0.002 0.000 0.269 139 L C 0.586 177.493 176.870 0.063 0.000 1.179 139 L CA -0.389 54.522 54.840 0.118 0.000 0.828 139 L CB 0.232 42.344 42.059 0.090 0.000 1.106 139 L HN 0.495 nan 8.230 nan 0.000 0.467 140 L N 1.638 122.887 121.223 0.043 0.000 2.476 140 L HA 0.017 4.355 4.340 -0.002 0.000 0.264 140 L C 1.224 178.111 176.870 0.029 0.000 1.224 140 L CA 0.522 55.371 54.840 0.015 0.000 0.821 140 L CB 0.486 42.561 42.059 0.027 0.000 1.101 140 L HN 0.779 nan 8.230 nan 0.000 0.488 141 E N 0.529 120.724 120.200 -0.009 0.000 2.406 141 E HA 0.093 4.441 4.350 -0.002 0.000 0.204 141 E C -0.008 176.602 176.600 0.016 0.000 0.820 141 E CA -0.222 56.185 56.400 0.011 0.000 1.136 141 E CB 0.543 30.236 29.700 -0.012 0.000 1.129 141 E HN 0.482 nan 8.360 nan 0.000 0.530 142 K N 1.322 121.694 120.400 -0.047 0.000 2.270 142 K HA 0.127 4.446 4.320 -0.002 0.000 0.276 142 K C 0.743 177.425 176.600 0.137 0.000 1.023 142 K CA -0.299 55.993 56.287 0.010 0.000 0.955 142 K CB 1.853 34.255 32.500 -0.163 0.000 0.975 142 K HN 0.074 nan 8.250 nan 0.000 0.471 143 L N 2.357 123.687 121.223 0.179 0.000 2.071 143 L HA -0.031 4.308 4.340 -0.002 0.000 0.201 143 L C 0.235 177.176 176.870 0.120 0.000 1.076 143 L CA 1.507 56.433 54.840 0.142 0.000 0.755 143 L CB 0.112 42.204 42.059 0.055 0.000 0.915 143 L HN 0.779 nan 8.230 nan 0.000 0.445 144 E N -0.719 119.523 120.200 0.071 0.000 2.314 144 E HA 0.700 5.049 4.350 -0.002 0.000 0.272 144 E C -1.324 174.995 176.600 -0.468 0.000 0.884 144 E CA -0.798 55.495 56.400 -0.178 0.000 0.753 144 E CB 2.019 31.608 29.700 -0.184 0.000 1.213 144 E HN 0.189 nan 8.360 nan 0.000 0.432 145 A N 2.134 124.583 122.820 -0.618 0.000 2.606 145 A HA 0.719 5.037 4.320 -0.002 0.000 0.293 145 A C -1.545 175.826 177.584 -0.355 0.000 1.082 145 A CA -0.915 50.691 52.037 -0.719 0.000 0.685 145 A CB 2.204 20.354 19.000 -1.416 0.000 1.284 145 A HN 0.585 nan 8.150 nan 0.000 0.408 146 K N 0.873 121.116 120.400 -0.262 0.000 2.507 146 K HA 0.484 4.803 4.320 -0.002 0.000 0.251 146 K C -0.682 175.786 176.600 -0.220 0.000 0.943 146 K CA -0.300 55.890 56.287 -0.161 0.000 0.794 146 K CB 0.812 33.255 32.500 -0.094 0.000 1.188 146 K HN 0.627 nan 8.250 nan 0.000 0.428 147 E N 2.222 122.275 120.200 -0.244 0.000 2.971 147 E HA -0.245 4.104 4.350 -0.002 0.000 0.278 147 E C 0.515 177.007 176.600 -0.180 0.000 1.009 147 E CA 1.414 57.643 56.400 -0.285 0.000 0.862 147 E CB -1.680 27.759 29.700 -0.435 0.000 1.436 147 E HN 1.203 nan 8.360 nan 0.000 0.434 148 G N -0.691 108.023 108.800 -0.143 0.000 2.199 148 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.254 148 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.254 148 G C 0.163 175.019 174.900 -0.074 0.000 0.982 148 G CA 0.610 45.678 45.100 -0.053 0.000 0.632 148 G HN 0.102 nan 8.290 nan 0.000 0.529 149 K N 1.734 122.043 120.400 -0.150 0.000 2.213 149 K HA 0.416 4.734 4.320 -0.002 0.000 0.270 149 K C -2.373 174.084 176.600 -0.239 0.000 1.002 149 K CA -2.004 54.203 56.287 -0.133 0.000 0.868 149 K CB 2.174 34.614 32.500 -0.099 0.000 1.093 149 K HN 0.174 nan 8.250 nan 0.000 0.454 150 P HA 0.024 nan 4.420 nan 0.000 0.265 150 P C 0.382 177.584 177.300 -0.163 0.000 1.193 150 P CA 0.080 63.019 63.100 -0.268 0.000 0.765 150 P CB 0.719 32.416 31.700 -0.004 0.000 0.823 151 L N 1.503 122.619 121.223 -0.178 0.000 2.509 151 L HA 0.057 4.395 4.340 -0.002 0.000 0.222 151 L C 1.247 178.083 176.870 -0.057 0.000 1.123 151 L CA 0.636 55.414 54.840 -0.102 0.000 0.856 151 L CB -0.185 41.812 42.059 -0.103 0.000 0.985 151 L HN 0.594 nan 8.230 nan 0.000 0.456 152 S N -2.360 113.314 115.700 -0.043 0.000 2.656 152 S HA 0.121 4.589 4.470 -0.002 0.000 0.265 152 S C -0.825 173.786 174.600 0.018 0.000 1.132 152 S CA -0.407 57.785 58.200 -0.013 0.000 0.819 152 S CB 0.948 64.136 63.200 -0.019 0.000 1.119 152 S HN 0.117 nan 8.310 nan 0.000 0.476 153 D N -0.354 120.058 120.400 0.020 0.000 2.342 153 D HA 0.203 4.841 4.640 -0.002 0.000 0.221 153 D C 0.037 176.354 176.300 0.029 0.000 1.101 153 D CA -0.316 53.706 54.000 0.036 0.000 0.837 153 D CB -0.161 40.653 40.800 0.023 0.000 0.938 153 D HN 0.507 nan 8.370 nan 0.000 0.508 154 K N 0.717 121.126 120.400 0.014 0.000 2.436 154 K HA 0.214 4.533 4.320 -0.002 0.000 0.275 154 K C 0.538 177.148 176.600 0.017 0.000 0.999 154 K CA 0.318 56.602 56.287 -0.005 0.000 0.980 154 K CB 0.548 33.026 32.500 -0.037 0.000 0.919 154 K HN 0.280 nan 8.250 nan 0.000 0.484 155 T N -1.209 113.348 114.554 0.006 0.000 2.952 155 T HA 0.352 4.700 4.350 -0.002 0.000 0.286 155 T C 1.489 176.210 174.700 0.034 0.000 1.024 155 T CA -0.924 61.196 62.100 0.032 0.000 1.029 155 T CB 0.807 69.695 68.868 0.033 0.000 1.094 155 T HN 0.442 nan 8.240 nan 0.000 0.515 156 I N 1.075 121.707 120.570 0.103 0.000 2.142 156 I HA -0.118 4.050 4.170 -0.002 0.000 0.240 156 I C 3.034 179.285 176.117 0.224 0.000 1.078 156 I CA 1.722 63.146 61.300 0.206 0.000 1.343 156 I CB -0.808 37.365 38.000 0.289 0.000 1.046 156 I HN 0.869 nan 8.210 nan 0.000 0.405 157 A N 0.916 123.846 122.820 0.183 0.000 1.933 157 A HA -0.107 4.212 4.320 -0.002 0.000 0.218 157 A C 2.413 180.051 177.584 0.090 0.000 1.175 157 A CA 1.881 54.020 52.037 0.169 0.000 0.628 157 A CB -1.342 17.729 19.000 0.118 0.000 0.814 157 A HN 0.490 nan 8.150 nan 0.000 0.444 158 G N -0.627 108.191 108.800 0.031 0.000 2.394 158 G HA2 -0.169 3.789 3.960 -0.002 0.000 0.215 158 G HA3 -0.169 3.789 3.960 -0.002 0.000 0.215 158 G C 1.460 176.304 174.900 -0.093 0.000 1.165 158 G CA 1.182 46.272 45.100 -0.017 0.000 0.784 158 G HN 0.574 nan 8.290 nan 0.000 0.535 159 E N -0.364 119.709 120.200 -0.211 0.000 2.152 159 E HA -0.015 4.333 4.350 -0.002 0.000 0.192 159 E C -0.190 175.995 176.600 -0.691 0.000 0.983 159 E CA 0.482 56.568 56.400 -0.524 0.000 0.818 159 E CB -0.084 29.132 29.700 -0.806 0.000 0.758 159 E HN 0.476 nan 8.360 nan 0.000 0.467 160 Y N -1.020 119.294 120.300 0.025 0.000 2.705 160 Y HA 0.336 4.885 4.550 -0.001 0.000 0.355 160 Y C -2.087 173.867 175.900 0.090 0.000 1.039 160 Y CA -2.771 55.342 58.100 0.020 0.000 1.233 160 Y CB 1.420 39.837 38.460 -0.072 0.000 1.103 160 Y HN 0.027 nan 8.280 nan 0.000 0.624 161 P HA -0.130 nan 4.420 nan 0.000 0.219 161 P C 0.685 178.079 177.300 0.157 0.000 1.146 161 P CA 1.606 64.785 63.100 0.131 0.000 0.808 161 P CB 0.475 32.222 31.700 0.079 0.000 0.779 162 D N -2.905 117.603 120.400 0.180 0.000 2.350 162 D HA -0.053 4.585 4.640 -0.002 0.000 0.213 162 D C 1.520 177.970 176.300 0.250 0.000 1.031 162 D CA 0.192 54.294 54.000 0.170 0.000 0.861 162 D CB -0.443 40.435 40.800 0.130 0.000 0.926 162 D HN 0.125 nan 8.370 nan 0.000 0.520 163 Y N 1.888 122.270 120.300 0.135 0.000 2.165 163 Y HA -0.185 4.363 4.550 -0.003 0.000 0.286 163 Y C 0.713 176.697 175.900 0.140 0.000 1.155 163 Y CA 1.103 59.291 58.100 0.146 0.000 1.164 163 Y CB -0.338 38.230 38.460 0.179 0.000 0.978 163 Y HN 0.042 nan 8.280 nan 0.000 0.513 164 Q N 1.201 121.124 119.800 0.204 0.000 2.417 164 Q HA -0.287 4.052 4.340 -0.002 0.000 0.350 164 Q C -0.289 175.676 176.000 -0.058 0.000 1.364 164 Q CA 0.479 56.321 55.803 0.065 0.000 1.024 164 Q CB -1.245 27.532 28.738 0.064 0.000 1.235 164 Q HN 0.459 nan 8.270 nan 0.000 0.388 165 R N 1.349 121.758 120.500 -0.152 0.000 2.522 165 R HA 0.248 4.587 4.340 -0.002 0.000 0.284 165 R C 0.203 176.377 176.300 -0.211 0.000 1.032 165 R CA 0.463 56.378 56.100 -0.308 0.000 1.049 165 R CB 0.630 30.742 30.300 -0.314 0.000 0.956 165 R HN 0.147 nan 8.270 nan 0.000 0.422 166 K N 3.451 123.688 120.400 -0.272 0.000 2.501 166 K HA 0.315 4.634 4.320 -0.002 0.000 0.252 166 K C -1.130 175.372 176.600 -0.162 0.000 0.934 166 K CA -0.696 55.495 56.287 -0.160 0.000 0.797 166 K CB 1.226 33.656 32.500 -0.117 0.000 1.270 166 K HN 0.335 nan 8.250 nan 0.000 0.431 167 I N 2.671 123.197 120.570 -0.075 0.000 2.359 167 I HA 0.327 4.496 4.170 -0.002 0.000 0.294 167 I C -0.325 175.759 176.117 -0.055 0.000 0.987 167 I CA -0.471 60.804 61.300 -0.042 0.000 1.225 167 I CB 1.278 39.310 38.000 0.053 0.000 1.366 167 I HN 0.527 nan 8.210 nan 0.000 0.466 168 S N 3.833 119.483 115.700 -0.082 0.000 2.536 168 S HA 0.748 5.217 4.470 -0.002 0.000 0.287 168 S C -0.054 174.483 174.600 -0.106 0.000 1.101 168 S CA -0.642 57.511 58.200 -0.079 0.000 0.950 168 S CB 2.238 65.393 63.200 -0.075 0.000 1.056 168 S HN 0.749 nan 8.310 nan 0.000 0.481 169 A N 2.165 124.929 122.820 -0.093 0.000 2.351 169 A HA 0.718 5.037 4.320 -0.002 0.000 0.257 169 A C 0.636 178.155 177.584 -0.109 0.000 1.087 169 A CA -0.246 51.724 52.037 -0.112 0.000 0.798 169 A CB 0.015 18.968 19.000 -0.078 0.000 1.033 169 A HN 0.856 nan 8.150 nan 0.000 0.488 170 T N -1.728 112.746 114.554 -0.134 0.000 2.773 170 T HA 0.477 4.826 4.350 -0.002 0.000 0.278 170 T C 1.027 175.668 174.700 -0.099 0.000 1.011 170 T CA -0.224 61.803 62.100 -0.122 0.000 1.014 170 T CB 1.047 69.807 68.868 -0.180 0.000 1.293 170 T HN 0.752 nan 8.240 nan 0.000 0.554 171 R N 0.447 120.903 120.500 -0.074 0.000 2.189 171 R HA 0.023 4.362 4.340 -0.002 0.000 0.223 171 R C 0.267 176.535 176.300 -0.053 0.000 1.092 171 R CA 1.601 57.672 56.100 -0.048 0.000 0.989 171 R CB -0.492 29.794 30.300 -0.025 0.000 0.876 171 R HN 0.744 nan 8.270 nan 0.000 0.457 172 D N -1.165 119.184 120.400 -0.084 0.000 2.692 172 D HA 0.258 4.897 4.640 -0.002 0.000 0.290 172 D C 0.486 176.688 176.300 -0.164 0.000 1.455 172 D CA 0.141 54.091 54.000 -0.083 0.000 0.796 172 D CB 0.778 41.573 40.800 -0.009 0.000 1.131 172 D HN 0.304 nan 8.370 nan 0.000 0.467 173 G N 0.424 109.098 108.800 -0.210 0.000 2.530 173 G HA2 0.338 4.297 3.960 -0.002 0.000 0.081 173 G HA3 0.338 4.297 3.960 -0.002 0.000 0.081 173 G C -1.453 173.274 174.900 -0.289 0.000 1.062 173 G CA -0.147 44.789 45.100 -0.274 0.000 1.108 173 G HN 0.537 nan 8.290 nan 0.000 0.466 174 L N -1.964 119.057 121.223 -0.336 0.000 2.801 174 L HA 0.958 5.296 4.340 -0.002 0.000 0.264 174 L C -1.397 175.329 176.870 -0.240 0.000 1.086 174 L CA -1.138 53.525 54.840 -0.295 0.000 0.920 174 L CB 2.067 43.885 42.059 -0.402 0.000 1.529 174 L HN 1.044 nan 8.230 nan 0.000 0.399 175 K N -0.146 120.157 120.400 -0.161 0.000 2.556 175 K HA 0.796 5.114 4.320 -0.002 0.000 0.274 175 K C -1.950 174.606 176.600 -0.073 0.000 0.966 175 K CA -0.937 55.293 56.287 -0.095 0.000 0.865 175 K CB 2.518 34.953 32.500 -0.107 0.000 1.444 175 K HN 0.400 nan 8.250 nan 0.000 0.433 176 V N 1.660 121.533 119.914 -0.068 0.000 2.448 176 V HA 0.470 4.589 4.120 -0.002 0.000 0.295 176 V C -0.330 175.463 176.094 -0.501 0.000 1.025 176 V CA -0.522 61.611 62.300 -0.277 0.000 0.859 176 V CB 1.411 33.054 31.823 -0.301 0.000 0.988 176 V HN 0.987 nan 8.190 nan 0.000 0.431 177 T N 1.402 115.620 114.554 -0.560 0.000 2.895 177 T HA 0.822 5.171 4.350 -0.002 0.000 0.283 177 T C -0.932 173.337 174.700 -0.718 0.000 1.014 177 T CA -0.485 61.343 62.100 -0.452 0.000 1.037 177 T CB 1.406 70.159 68.868 -0.191 0.000 1.006 177 T HN 0.195 nan 8.240 nan 0.000 0.468 178 F N 0.244 120.172 119.950 -0.036 0.000 2.540 178 F HA 0.659 5.183 4.527 -0.005 0.000 0.317 178 F C 0.925 176.750 175.800 0.041 0.000 1.104 178 F CA -0.894 57.071 58.000 -0.058 0.000 0.913 178 F CB 1.933 40.932 39.000 -0.003 0.000 1.170 178 F HN 1.006 nan 8.300 nan 0.000 0.450 179 G N 1.121 110.072 108.800 0.253 0.000 2.616 179 G HA2 0.272 4.230 3.960 -0.002 0.000 0.268 179 G HA3 0.272 4.230 3.960 -0.002 0.000 0.268 179 G C -0.913 174.122 174.900 0.224 0.000 1.213 179 G CA -0.788 44.431 45.100 0.199 0.000 0.926 179 G HN 0.630 nan 8.290 nan 0.000 0.523 180 K N -0.334 120.148 120.400 0.137 0.000 2.349 180 K HA 0.377 4.696 4.320 -0.002 0.000 0.288 180 K C -0.963 175.677 176.600 0.066 0.000 1.058 180 K CA -0.226 56.115 56.287 0.089 0.000 0.953 180 K CB 0.514 33.049 32.500 0.058 0.000 0.997 180 K HN 0.109 nan 8.250 nan 0.000 0.477 181 V N 5.961 125.878 119.914 0.006 0.000 2.525 181 V HA 0.343 4.462 4.120 -0.002 0.000 0.299 181 V C -0.410 175.623 176.094 -0.102 0.000 1.034 181 V CA -0.942 61.316 62.300 -0.070 0.000 0.863 181 V CB 1.711 33.385 31.823 -0.248 0.000 0.999 181 V HN 0.729 nan 8.190 nan 0.000 0.423 182 R N 3.292 123.753 120.500 -0.065 0.000 3.220 182 R HA 0.471 4.810 4.340 -0.002 0.000 0.324 182 R C 0.234 176.489 176.300 -0.076 0.000 1.283 182 R CA -0.310 55.748 56.100 -0.070 0.000 1.387 182 R CB 1.011 31.285 30.300 -0.044 0.000 1.413 182 R HN 0.689 nan 8.270 nan 0.000 0.610 183 A N 0.849 123.608 122.820 -0.101 0.000 2.671 183 A HA 0.214 4.532 4.320 -0.002 0.000 0.306 183 A C 1.183 178.701 177.584 -0.111 0.000 1.473 183 A CA -0.212 51.787 52.037 -0.063 0.000 1.155 183 A CB -0.118 18.857 19.000 -0.042 0.000 1.123 183 A HN 0.383 nan 8.150 nan 0.000 0.545 184 T N 1.470 115.892 114.554 -0.220 0.000 2.701 184 T HA -0.273 4.076 4.350 -0.002 0.000 0.265 184 T C 0.806 175.289 174.700 -0.361 0.000 1.032 184 T CA 2.519 64.343 62.100 -0.461 0.000 1.158 184 T CB -0.314 67.986 68.868 -0.947 0.000 0.854 184 T HN 0.886 nan 8.240 nan 0.000 0.463 185 W N 0.571 121.955 121.300 0.140 0.000 3.132 185 W HA 0.370 5.029 4.660 -0.001 0.000 0.364 185 W C 1.255 177.408 176.519 -0.610 0.000 1.129 185 W CA -0.711 56.685 57.345 0.085 0.000 1.815 185 W CB 0.574 30.206 29.460 0.286 0.000 1.099 185 W HN 0.212 nan 8.180 nan 0.000 0.605 186 D N -0.962 119.144 120.400 -0.489 0.000 2.412 186 D HA 0.124 4.763 4.640 -0.002 0.000 0.298 186 D C -0.458 175.565 176.300 -0.461 0.000 1.136 186 D CA 0.233 53.899 54.000 -0.558 0.000 0.988 186 D CB 0.787 41.521 40.800 -0.109 0.000 1.712 186 D HN -0.130 nan 8.370 nan 0.000 0.503 187 L N 1.685 122.715 121.223 -0.321 0.000 2.516 187 L HA 0.438 4.776 4.340 -0.002 0.000 0.267 187 L C -2.145 174.580 176.870 -0.242 0.000 0.957 187 L CA -0.382 54.249 54.840 -0.348 0.000 0.860 187 L CB 1.825 43.386 42.059 -0.830 0.000 1.265 187 L HN -0.139 nan 8.230 nan 0.000 0.403 188 L N 4.893 126.035 121.223 -0.135 0.000 2.372 188 L HA 0.784 5.123 4.340 -0.002 0.000 0.274 188 L C -0.373 176.375 176.870 -0.205 0.000 0.988 188 L CA -0.332 54.419 54.840 -0.148 0.000 0.833 188 L CB 2.122 44.119 42.059 -0.104 0.000 1.236 188 L HN 0.767 nan 8.230 nan 0.000 0.410 189 T N -2.423 112.033 114.554 -0.163 0.000 2.906 189 T HA 0.318 4.667 4.350 -0.002 0.000 0.295 189 T C 0.711 175.373 174.700 -0.063 0.000 1.075 189 T CA -0.148 61.883 62.100 -0.116 0.000 1.005 189 T CB 1.889 70.753 68.868 -0.007 0.000 1.136 189 T HN 0.461 nan 8.240 nan 0.000 0.498 190 S N -0.045 115.632 115.700 -0.038 0.000 2.501 190 S HA 0.408 4.876 4.470 -0.002 0.000 0.220 190 S C 1.920 176.546 174.600 0.044 0.000 0.997 190 S CA 0.580 58.786 58.200 0.009 0.000 0.919 190 S CB -0.601 62.615 63.200 0.026 0.000 0.778 190 S HN 2.266 nan 8.310 nan 0.000 0.523 191 G N 1.019 109.864 108.800 0.075 0.000 2.175 191 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.244 191 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.244 191 G C 0.376 175.330 174.900 0.091 0.000 0.982 191 G CA 0.343 45.501 45.100 0.096 0.000 0.641 191 G HN 0.582 nan 8.290 nan 0.000 0.527 192 E N 0.035 120.286 120.200 0.086 0.000 2.601 192 E HA 0.233 4.581 4.350 -0.002 0.000 0.219 192 E C 1.069 177.728 176.600 0.097 0.000 0.964 192 E CA 0.438 56.883 56.400 0.075 0.000 1.050 192 E CB 0.768 30.500 29.700 0.053 0.000 1.068 192 E HN 0.591 nan 8.360 nan 0.000 0.496 193 S N 0.864 116.649 115.700 0.142 0.000 2.585 193 S HA 0.315 4.783 4.470 -0.002 0.000 0.273 193 S C 0.029 174.843 174.600 0.356 0.000 1.339 193 S CA -0.388 57.928 58.200 0.193 0.000 1.028 193 S CB 1.425 64.729 63.200 0.174 0.000 0.906 193 S HN 0.060 nan 8.310 nan 0.000 0.528 194 E N 0.059 120.474 120.200 0.360 0.000 2.412 194 E HA 0.322 4.670 4.350 -0.002 0.000 0.279 194 E C -2.117 174.767 176.600 0.474 0.000 0.984 194 E CA -0.668 55.941 56.400 0.348 0.000 0.788 194 E CB 1.709 31.491 29.700 0.138 0.000 1.277 194 E HN 0.688 nan 8.360 nan 0.000 0.455 195 Y N 1.826 122.275 120.300 0.248 0.000 2.376 195 Y HA 0.273 4.824 4.550 0.002 0.000 0.326 195 Y C -1.006 174.943 175.900 0.082 0.000 0.970 195 Y CA -0.342 57.864 58.100 0.176 0.000 1.248 195 Y CB 0.994 39.521 38.460 0.112 0.000 1.117 195 Y HN 0.361 nan 8.280 nan 0.000 0.476 196 Q N 4.164 123.807 119.800 -0.262 0.000 2.235 196 Q HA 0.715 5.053 4.340 -0.002 0.000 0.256 196 Q C -1.333 174.537 176.000 -0.217 0.000 0.951 196 Q CA -1.279 54.416 55.803 -0.180 0.000 0.890 196 Q CB 2.910 31.657 28.738 0.015 0.000 1.279 196 Q HN 0.449 nan 8.270 nan 0.000 0.444 197 V N 2.368 122.167 119.914 -0.192 0.000 2.443 197 V HA 0.304 4.422 4.120 -0.002 0.000 0.293 197 V C -1.245 174.675 176.094 -0.289 0.000 1.021 197 V CA -0.784 61.455 62.300 -0.101 0.000 0.848 197 V CB 1.144 32.957 31.823 -0.017 0.000 0.998 197 V HN 0.715 nan 8.190 nan 0.000 0.424 198 H N 2.856 121.824 119.070 -0.171 0.000 2.524 198 H HA 0.717 5.277 4.556 0.007 0.000 0.353 198 H C -0.375 174.837 175.328 -0.194 0.000 1.136 198 H CA -0.629 55.321 56.048 -0.163 0.000 1.193 198 H CB 1.824 31.505 29.762 -0.136 0.000 1.558 198 H HN 0.513 nan 8.280 nan 0.000 0.515 199 K N 0.287 120.641 120.400 -0.076 0.000 2.400 199 K HA 0.272 4.591 4.320 -0.002 0.000 0.246 199 K C 0.311 176.882 176.600 -0.048 0.000 0.995 199 K CA -0.696 55.518 56.287 -0.123 0.000 0.840 199 K CB 2.124 34.471 32.500 -0.255 0.000 1.293 199 K HN 0.671 nan 8.250 nan 0.000 0.445 200 S N 0.326 116.015 115.700 -0.017 0.000 2.603 200 S HA 0.060 4.528 4.470 -0.002 0.000 0.220 200 S C 0.647 175.265 174.600 0.031 0.000 0.967 200 S CA -0.287 57.936 58.200 0.038 0.000 0.920 200 S CB -0.743 62.530 63.200 0.122 0.000 0.773 200 S HN 0.513 nan 8.310 nan 0.000 0.529 201 L N -2.500 118.726 121.223 0.005 0.000 2.376 201 L HA 0.822 5.161 4.340 -0.002 0.000 0.258 201 L C -3.414 173.465 176.870 0.015 0.000 1.013 201 L CA -2.678 52.180 54.840 0.030 0.000 0.822 201 L CB 0.841 42.942 42.059 0.069 0.000 1.388 201 L HN -0.298 nan 8.230 nan 0.000 0.413 202 P HA 0.285 nan 4.420 nan 0.000 0.271 202 P C -0.802 176.532 177.300 0.056 0.000 1.220 202 P CA -0.232 62.887 63.100 0.031 0.000 0.768 202 P CB 1.278 33.002 31.700 0.040 0.000 0.848 203 V N 0.483 120.416 119.914 0.031 0.000 3.001 203 V HA 0.579 4.698 4.120 -0.002 0.000 0.314 203 V C -0.933 175.196 176.094 0.059 0.000 1.099 203 V CA -0.893 61.452 62.300 0.076 0.000 0.989 203 V CB 2.463 34.301 31.823 0.024 0.000 1.040 203 V HN 0.182 nan 8.190 nan 0.000 0.434 204 Q N 1.729 121.587 119.800 0.096 0.000 2.347 204 Q HA 0.580 4.919 4.340 -0.002 0.000 0.262 204 Q C -0.613 175.434 176.000 0.079 0.000 0.980 204 Q CA -0.031 55.812 55.803 0.066 0.000 0.867 204 Q CB 1.706 30.480 28.738 0.060 0.000 1.242 204 Q HN 0.978 nan 8.270 nan 0.000 0.453 205 T N 2.099 116.680 114.554 0.046 0.000 2.807 205 T HA 0.388 4.736 4.350 -0.002 0.000 0.279 205 T C -0.457 174.274 174.700 0.052 0.000 0.993 205 T CA -0.629 61.507 62.100 0.061 0.000 0.970 205 T CB 1.638 70.504 68.868 -0.003 0.000 0.950 205 T HN 0.410 nan 8.240 nan 0.000 0.441 206 E N 2.924 123.176 120.200 0.086 0.000 2.176 206 E HA 0.490 4.838 4.350 -0.002 0.000 0.267 206 E C -1.296 175.360 176.600 0.094 0.000 0.893 206 E CA -0.748 55.689 56.400 0.062 0.000 0.761 206 E CB 0.777 30.502 29.700 0.041 0.000 1.133 206 E HN 0.382 nan 8.360 nan 0.000 0.409 207 I N 3.778 124.388 120.570 0.066 0.000 2.378 207 I HA 0.249 4.418 4.170 -0.002 0.000 0.291 207 I C -0.663 175.486 176.117 0.054 0.000 0.992 207 I CA -0.440 60.910 61.300 0.083 0.000 1.154 207 I CB 1.597 39.630 38.000 0.055 0.000 1.315 207 I HN 0.427 nan 8.210 nan 0.000 0.448 208 N N 4.835 123.571 118.700 0.059 0.000 2.851 208 N HA 0.567 5.306 4.740 -0.002 0.000 0.248 208 N C 0.565 176.097 175.510 0.037 0.000 1.221 208 N CA 0.097 53.168 53.050 0.034 0.000 0.847 208 N CB 1.401 39.900 38.487 0.019 0.000 1.150 208 N HN 0.912 nan 8.380 nan 0.000 0.507 209 G N 1.992 110.811 108.800 0.032 0.000 2.574 209 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.301 209 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.301 209 G C 0.464 175.392 174.900 0.048 0.000 1.166 209 G CA 0.055 45.173 45.100 0.030 0.000 0.971 209 G HN 0.504 nan 8.290 nan 0.000 0.542 210 N N 2.361 121.093 118.700 0.053 0.000 2.313 210 N HA 0.207 4.945 4.740 -0.002 0.000 0.207 210 N C 0.846 176.432 175.510 0.127 0.000 1.141 210 N CA 1.025 54.124 53.050 0.081 0.000 0.830 210 N CB 0.012 38.535 38.487 0.061 0.000 1.008 210 N HN 0.888 nan 8.380 nan 0.000 0.481 211 R N -0.371 120.194 120.500 0.110 0.000 2.837 211 R HA 0.612 4.950 4.340 -0.002 0.000 0.271 211 R C -1.121 175.262 176.300 0.139 0.000 0.993 211 R CA -0.840 55.311 56.100 0.086 0.000 0.931 211 R CB 1.199 31.495 30.300 -0.005 0.000 1.206 211 R HN -0.090 nan 8.270 nan 0.000 0.474 212 F N -1.539 118.393 119.950 -0.030 0.000 2.643 212 F HA 0.750 5.277 4.527 0.000 0.000 0.314 212 F C -1.680 174.097 175.800 -0.039 0.000 1.096 212 F CA -0.859 57.115 58.000 -0.043 0.000 0.953 212 F CB 2.417 41.373 39.000 -0.073 0.000 1.345 212 F HN 0.486 nan 8.300 nan 0.000 0.468 213 T N 1.446 116.111 114.554 0.185 0.000 3.011 213 T HA 0.553 4.901 4.350 -0.002 0.000 0.303 213 T C -1.214 173.651 174.700 0.274 0.000 0.997 213 T CA -0.690 61.463 62.100 0.088 0.000 1.007 213 T CB 1.411 70.280 68.868 0.002 0.000 1.017 213 T HN 0.725 nan 8.240 nan 0.000 0.443 214 S N 2.768 118.694 115.700 0.376 0.000 2.532 214 S HA 0.682 5.151 4.470 -0.002 0.000 0.301 214 S C -0.489 174.338 174.600 0.378 0.000 1.083 214 S CA -1.011 57.414 58.200 0.377 0.000 1.025 214 S CB 1.483 64.943 63.200 0.433 0.000 1.056 214 S HN 0.524 nan 8.310 nan 0.000 0.494 215 K N 0.833 121.405 120.400 0.286 0.000 2.435 215 K HA 0.878 5.196 4.320 -0.002 0.000 0.251 215 K C -1.159 175.606 176.600 0.274 0.000 0.954 215 K CA -0.878 55.534 56.287 0.210 0.000 0.820 215 K CB 2.218 34.759 32.500 0.068 0.000 1.292 215 K HN 0.681 nan 8.250 nan 0.000 0.436 216 A N 1.264 124.220 122.820 0.227 0.000 2.605 216 A HA 0.386 4.705 4.320 -0.002 0.000 0.294 216 A C -2.041 175.649 177.584 0.176 0.000 1.062 216 A CA -0.654 51.531 52.037 0.248 0.000 0.682 216 A CB 1.391 20.644 19.000 0.421 0.000 1.278 216 A HN 0.769 nan 8.150 nan 0.000 0.410 217 H N 2.069 121.187 119.070 0.080 0.000 2.489 217 H HA 0.725 5.280 4.556 -0.003 0.000 0.343 217 H C -1.050 174.314 175.328 0.060 0.000 1.086 217 H CA -0.290 55.788 56.048 0.051 0.000 1.198 217 H CB 1.200 30.981 29.762 0.032 0.000 1.490 217 H HN 0.812 nan 8.280 nan 0.000 0.504 218 I N 1.551 121.877 120.570 -0.406 0.000 2.740 218 I HA 0.367 4.536 4.170 -0.002 0.000 0.303 218 I C 0.087 176.019 176.117 -0.307 0.000 1.044 218 I CA -1.080 60.096 61.300 -0.206 0.000 1.064 218 I CB 2.005 39.951 38.000 -0.089 0.000 1.249 218 I HN 0.366 nan 8.210 nan 0.000 0.433 219 N N 2.684 121.336 118.700 -0.081 0.000 2.446 219 N HA 0.225 4.964 4.740 -0.002 0.000 0.179 219 N C 0.532 176.026 175.510 -0.026 0.000 1.054 219 N CA 0.848 53.887 53.050 -0.017 0.000 0.905 219 N CB 0.668 39.183 38.487 0.046 0.000 0.973 219 N HN 0.975 nan 8.380 nan 0.000 0.448 220 G N -0.697 108.081 108.800 -0.036 0.000 2.360 220 G HA2 0.060 4.018 3.960 -0.002 0.000 0.276 220 G HA3 0.060 4.018 3.960 -0.002 0.000 0.276 220 G C -1.419 173.474 174.900 -0.012 0.000 1.256 220 G CA -0.709 44.379 45.100 -0.020 0.000 0.890 220 G HN -0.024 nan 8.290 nan 0.000 0.486 221 S N 0.057 115.756 115.700 -0.002 0.000 2.593 221 S HA 0.477 4.946 4.470 -0.002 0.000 0.300 221 S C 0.268 174.871 174.600 0.006 0.000 1.267 221 S CA 1.305 59.506 58.200 0.002 0.000 1.065 221 S CB 0.581 63.785 63.200 0.008 0.000 0.807 221 S HN 1.090 nan 8.310 nan 0.000 0.499 222 T N 2.001 116.556 114.554 0.001 0.000 2.775 222 T HA 0.457 4.805 4.350 -0.002 0.000 0.320 222 T C -1.505 173.184 174.700 -0.018 0.000 1.597 222 T CA -0.579 61.525 62.100 0.005 0.000 1.022 222 T CB 1.482 70.359 68.868 0.014 0.000 1.485 222 T HN 0.440 nan 8.240 nan 0.000 0.494 223 T N 3.332 117.868 114.554 -0.031 0.000 2.809 223 T HA 0.658 5.006 4.350 -0.002 0.000 0.284 223 T C -0.571 173.996 174.700 -0.221 0.000 0.992 223 T CA -0.533 61.485 62.100 -0.137 0.000 0.957 223 T CB 0.518 69.306 68.868 -0.133 0.000 0.942 223 T HN 0.620 nan 8.240 nan 0.000 0.439 224 L N 0.771 121.821 121.223 -0.289 0.000 2.332 224 L HA 0.881 5.219 4.340 -0.002 0.000 0.269 224 L C -1.236 175.300 176.870 -0.556 0.000 1.016 224 L CA -1.134 53.560 54.840 -0.243 0.000 0.809 224 L CB 0.587 42.627 42.059 -0.031 0.000 1.280 224 L HN 0.444 nan 8.230 nan 0.000 0.447 225 Y N -1.137 119.147 120.300 -0.027 0.000 2.462 225 Y HA 0.774 5.325 4.550 0.001 0.000 0.346 225 Y C -0.265 175.550 175.900 -0.141 0.000 0.976 225 Y CA -0.616 57.443 58.100 -0.070 0.000 1.044 225 Y CB 2.754 41.183 38.460 -0.052 0.000 1.230 225 Y HN 0.675 nan 8.280 nan 0.000 0.455 226 T N 1.409 115.912 114.554 -0.084 0.000 2.916 226 T HA 0.510 4.859 4.350 -0.002 0.000 0.298 226 T C -0.675 173.785 174.700 -0.401 0.000 1.031 226 T CA -1.038 60.897 62.100 -0.275 0.000 0.993 226 T CB 1.416 70.031 68.868 -0.422 0.000 1.045 226 T HN 0.614 nan 8.240 nan 0.000 0.454 227 T N 0.359 114.699 114.554 -0.357 0.000 2.855 227 T HA 0.727 5.076 4.350 -0.002 0.000 0.281 227 T C -1.386 173.116 174.700 -0.329 0.000 1.007 227 T CA -0.750 61.154 62.100 -0.326 0.000 1.009 227 T CB 0.789 69.548 68.868 -0.181 0.000 0.983 227 T HN 0.399 nan 8.240 nan 0.000 0.455 228 Y N 0.700 120.958 120.300 -0.069 0.000 2.341 228 Y HA 0.644 5.193 4.550 -0.002 0.000 0.338 228 Y C 0.169 175.894 175.900 -0.292 0.000 0.965 228 Y CA -1.227 56.755 58.100 -0.197 0.000 1.108 228 Y CB 2.218 40.707 38.460 0.049 0.000 1.180 228 Y HN 0.793 nan 8.280 nan 0.000 0.458 229 S N 1.926 117.414 115.700 -0.354 0.000 2.614 229 S HA 0.259 4.728 4.470 -0.002 0.000 0.288 229 S C -1.700 172.780 174.600 -0.200 0.000 1.137 229 S CA -0.731 57.335 58.200 -0.224 0.000 0.992 229 S CB 0.903 64.081 63.200 -0.037 0.000 1.026 229 S HN 0.623 nan 8.310 nan 0.000 0.486 230 H N 3.238 122.237 119.070 -0.118 0.000 2.581 230 H HA 0.595 5.151 4.556 0.000 0.000 0.308 230 H C -1.314 174.123 175.328 0.182 0.000 1.040 230 H CA -0.737 55.413 56.048 0.170 0.000 1.231 230 H CB 0.009 29.967 29.762 0.327 0.000 1.396 230 H HN 0.481 nan 8.280 nan 0.000 0.467 231 L N 6.365 127.578 121.223 -0.016 0.000 2.313 231 L HA 0.220 4.558 4.340 -0.002 0.000 0.283 231 L C 0.236 176.990 176.870 -0.192 0.000 1.013 231 L CA -0.749 54.035 54.840 -0.093 0.000 0.816 231 L CB 1.702 43.770 42.059 0.014 0.000 1.236 231 L HN 0.557 nan 8.230 nan 0.000 0.419 232 L N 1.606 122.671 121.223 -0.262 0.000 2.529 232 L HA 0.150 4.489 4.340 -0.002 0.000 0.223 232 L C 0.997 177.832 176.870 -0.057 0.000 1.113 232 L CA 0.568 55.259 54.840 -0.247 0.000 0.861 232 L CB -0.037 41.741 42.059 -0.468 0.000 1.012 232 L HN 0.782 nan 8.230 nan 0.000 0.461 233 T N -6.071 108.486 114.554 0.005 0.000 2.864 233 T HA 0.656 5.005 4.350 -0.002 0.000 0.299 233 T C 0.889 175.607 174.700 0.030 0.000 1.166 233 T CA -0.252 61.875 62.100 0.044 0.000 1.007 233 T CB 1.702 70.614 68.868 0.074 0.000 1.219 233 T HN -0.151 nan 8.240 nan 0.000 0.506 234 A N 0.466 123.305 122.820 0.032 0.000 1.933 234 A HA -0.054 4.265 4.320 -0.002 0.000 0.218 234 A C 2.164 179.758 177.584 0.017 0.000 1.175 234 A CA 1.703 53.756 52.037 0.026 0.000 0.628 234 A CB -1.079 17.935 19.000 0.024 0.000 0.814 234 A HN 0.786 nan 8.150 nan 0.000 0.444 235 Q N 0.092 119.901 119.800 0.014 0.000 2.084 235 Q HA -0.139 4.199 4.340 -0.002 0.000 0.202 235 Q C 1.873 177.875 176.000 0.003 0.000 0.978 235 Q CA 1.879 57.685 55.803 0.005 0.000 0.844 235 Q CB -0.364 28.373 28.738 -0.003 0.000 0.898 235 Q HN 0.801 nan 8.270 nan 0.000 0.426 236 E N -0.384 119.819 120.200 0.005 0.000 2.077 236 E HA -0.141 4.207 4.350 -0.002 0.000 0.193 236 E C 1.988 178.593 176.600 0.008 0.000 0.989 236 E CA 1.295 57.696 56.400 0.002 0.000 0.800 236 E CB -0.036 29.660 29.700 -0.007 0.000 0.746 236 E HN 0.122 nan 8.360 nan 0.000 0.452 237 V N 1.072 120.994 119.914 0.014 0.000 2.287 237 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 237 V C 2.302 178.403 176.094 0.013 0.000 1.053 237 V CA 1.940 64.253 62.300 0.021 0.000 1.027 237 V CB -0.468 31.373 31.823 0.030 0.000 0.646 237 V HN 0.204 nan 8.190 nan 0.000 0.447 238 S N -0.664 115.042 115.700 0.009 0.000 2.348 238 S HA -0.247 4.221 4.470 -0.002 0.000 0.221 238 S C 2.053 176.651 174.600 -0.003 0.000 1.033 238 S CA 1.795 59.998 58.200 0.004 0.000 1.010 238 S CB -0.344 62.858 63.200 0.003 0.000 0.891 238 S HN 0.567 nan 8.310 nan 0.000 0.442 239 K N 0.857 121.257 120.400 -0.001 0.000 2.147 239 K HA -0.115 4.204 4.320 -0.002 0.000 0.205 239 K C 1.954 178.550 176.600 -0.007 0.000 1.049 239 K CA 1.256 57.542 56.287 -0.002 0.000 0.936 239 K CB -0.071 32.431 32.500 0.003 0.000 0.722 239 K HN 0.133 nan 8.250 nan 0.000 0.446 240 E N 0.583 120.778 120.200 -0.009 0.000 2.274 240 E HA -0.131 4.218 4.350 -0.002 0.000 0.194 240 E C 1.876 178.432 176.600 -0.073 0.000 0.996 240 E CA 0.901 57.285 56.400 -0.026 0.000 0.840 240 E CB 0.110 29.802 29.700 -0.014 0.000 0.772 240 E HN 0.235 nan 8.360 nan 0.000 0.491 241 Q N -0.086 119.674 119.800 -0.067 0.000 2.077 241 Q HA -0.209 4.130 4.340 -0.002 0.000 0.206 241 Q C 2.319 178.256 176.000 -0.104 0.000 0.989 241 Q CA 2.048 57.790 55.803 -0.102 0.000 0.853 241 Q CB -0.730 27.979 28.738 -0.049 0.000 0.907 241 Q HN 0.613 nan 8.270 nan 0.000 0.418 242 M N -0.747 118.816 119.600 -0.061 0.000 2.229 242 M HA -0.092 4.386 4.480 -0.002 0.000 0.264 242 M C 1.661 177.928 176.300 -0.055 0.000 1.063 242 M CA 1.394 56.664 55.300 -0.049 0.000 1.114 242 M CB -0.327 32.258 32.600 -0.025 0.000 1.387 242 M HN -0.084 nan 8.290 nan 0.000 0.420 243 Q N 1.380 121.146 119.800 -0.057 0.000 2.046 243 Q HA -0.020 4.319 4.340 -0.002 0.000 0.200 243 Q C 2.419 178.331 176.000 -0.147 0.000 0.975 243 Q CA 1.331 57.099 55.803 -0.058 0.000 0.836 243 Q CB -0.510 28.209 28.738 -0.031 0.000 0.896 243 Q HN 0.581 nan 8.270 nan 0.000 0.428 244 I N 0.920 121.374 120.570 -0.195 0.000 2.151 244 I HA -0.275 3.893 4.170 -0.002 0.000 0.243 244 I C 2.375 178.352 176.117 -0.233 0.000 1.080 244 I CA 1.406 62.535 61.300 -0.285 0.000 1.339 244 I CB -0.919 36.792 38.000 -0.482 0.000 1.039 244 I HN 0.245 nan 8.210 nan 0.000 0.409 245 R N 0.305 120.700 120.500 -0.175 0.000 2.081 245 R HA -0.219 4.119 4.340 -0.002 0.000 0.235 245 R C 2.010 178.259 176.300 -0.085 0.000 1.131 245 R CA 1.855 57.887 56.100 -0.114 0.000 0.960 245 R CB -0.397 29.856 30.300 -0.077 0.000 0.856 245 R HN 0.357 nan 8.270 nan 0.000 0.436 246 D N 0.423 120.782 120.400 -0.069 0.000 2.117 246 D HA -0.127 4.511 4.640 -0.002 0.000 0.197 246 D C 1.617 177.921 176.300 0.007 0.000 0.987 246 D CA 0.959 54.958 54.000 -0.003 0.000 0.829 246 D CB 0.085 40.925 40.800 0.066 0.000 0.961 246 D HN -0.009 nan 8.370 nan 0.000 0.460 247 I N 0.314 120.761 120.570 -0.205 0.000 2.179 247 I HA -0.188 3.981 4.170 -0.002 0.000 0.242 247 I C 2.292 178.299 176.117 -0.183 0.000 1.088 247 I CA 0.916 61.975 61.300 -0.403 0.000 1.357 247 I CB -0.421 37.210 38.000 -0.615 0.000 1.051 247 I HN 0.133 nan 8.210 nan 0.000 0.409 248 L N -0.315 120.815 121.223 -0.155 0.000 2.275 248 L HA -0.123 4.215 4.340 -0.002 0.000 0.215 248 L C 2.521 179.339 176.870 -0.086 0.000 1.119 248 L CA 0.969 55.743 54.840 -0.110 0.000 0.790 248 L CB -0.665 41.351 42.059 -0.071 0.000 0.919 248 L HN 0.234 nan 8.230 nan 0.000 0.443 249 A N 1.085 123.871 122.820 -0.057 0.000 1.930 249 A HA -0.083 4.236 4.320 -0.002 0.000 0.215 249 A C 1.457 179.024 177.584 -0.028 0.000 1.176 249 A CA 0.878 52.895 52.037 -0.032 0.000 0.632 249 A CB -0.092 18.895 19.000 -0.021 0.000 0.819 249 A HN 0.535 nan 8.150 nan 0.000 0.445 250 R N -1.373 119.133 120.500 0.010 0.000 2.638 250 R HA 0.255 4.594 4.340 -0.002 0.000 0.261 250 R C -2.452 173.919 176.300 0.117 0.000 1.515 250 R CA -1.146 54.979 56.100 0.040 0.000 1.623 250 R CB 0.271 30.597 30.300 0.042 0.000 1.347 250 R HN 0.141 nan 8.270 nan 0.000 0.705 251 P HA -0.242 nan 4.420 nan 0.000 0.218 251 P C 1.270 178.552 177.300 -0.029 0.000 1.148 251 P CA 1.887 64.861 63.100 -0.210 0.000 0.822 251 P CB 0.356 31.414 31.700 -1.070 0.000 0.784 252 A N -0.275 122.525 122.820 -0.034 0.000 1.940 252 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 252 A C 2.150 179.787 177.584 0.089 0.000 1.176 252 A CA 1.446 53.513 52.037 0.050 0.000 0.631 252 A CB -1.870 17.164 19.000 0.056 0.000 0.814 252 A HN 0.203 nan 8.150 nan 0.000 0.446 253 F N -0.845 119.086 119.950 -0.031 0.000 2.134 253 F HA -0.174 4.355 4.527 0.003 0.000 0.299 253 F C 2.038 177.740 175.800 -0.162 0.000 1.097 253 F CA 1.741 59.669 58.000 -0.119 0.000 1.264 253 F CB -0.272 38.599 39.000 -0.214 0.000 1.001 253 F HN 0.291 nan 8.300 nan 0.000 0.479 254 Y N 0.219 120.561 120.300 0.070 0.000 2.263 254 Y HA -0.121 4.421 4.550 -0.014 0.000 0.292 254 Y C 2.277 178.160 175.900 -0.028 0.000 1.130 254 Y CA 1.383 59.485 58.100 0.004 0.000 1.179 254 Y CB -0.571 37.950 38.460 0.101 0.000 0.998 254 Y HN 0.044 nan 8.280 nan 0.000 0.532 255 L N -1.073 120.230 121.223 0.134 0.000 2.017 255 L HA -0.227 4.111 4.340 -0.002 0.000 0.208 255 L C 2.300 179.195 176.870 0.041 0.000 1.073 255 L CA 1.729 56.632 54.840 0.106 0.000 0.745 255 L CB -0.925 41.203 42.059 0.114 0.000 0.894 255 L HN 0.168 nan 8.230 nan 0.000 0.432 256 T N -0.089 114.444 114.554 -0.036 0.000 2.746 256 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 256 T C 2.015 176.636 174.700 -0.132 0.000 1.039 256 T CA 1.242 63.296 62.100 -0.077 0.000 1.142 256 T CB -0.231 68.567 68.868 -0.116 0.000 0.866 256 T HN 0.442 nan 8.240 nan 0.000 0.444 257 A N 1.171 123.827 122.820 -0.273 0.000 1.883 257 A HA -0.139 4.180 4.320 -0.002 0.000 0.217 257 A C 2.577 180.140 177.584 -0.034 0.000 1.186 257 A CA 2.298 54.173 52.037 -0.271 0.000 0.624 257 A CB -1.131 17.610 19.000 -0.432 0.000 0.822 257 A HN 0.484 nan 8.150 nan 0.000 0.444 258 S N -1.140 114.612 115.700 0.087 0.000 2.368 258 S HA -0.244 4.225 4.470 -0.002 0.000 0.224 258 S C 2.226 177.007 174.600 0.302 0.000 1.029 258 S CA 1.684 60.046 58.200 0.271 0.000 0.988 258 S CB -0.406 62.981 63.200 0.312 0.000 0.838 258 S HN 0.663 nan 8.310 nan 0.000 0.462 259 Q N 0.207 120.110 119.800 0.171 0.000 2.030 259 Q HA -0.207 4.131 4.340 -0.002 0.000 0.204 259 Q C 2.404 178.483 176.000 0.133 0.000 0.986 259 Q CA 2.035 57.930 55.803 0.153 0.000 0.843 259 Q CB -0.243 28.545 28.738 0.084 0.000 0.904 259 Q HN 0.712 nan 8.270 nan 0.000 0.420 260 Q N -0.265 119.562 119.800 0.045 0.000 2.124 260 Q HA -0.188 4.151 4.340 -0.002 0.000 0.202 260 Q C 2.181 178.140 176.000 -0.068 0.000 0.977 260 Q CA 1.229 57.027 55.803 -0.009 0.000 0.850 260 Q CB -0.229 28.477 28.738 -0.054 0.000 0.901 260 Q HN 0.283 nan 8.270 nan 0.000 0.429 261 R N 0.136 120.578 120.500 -0.096 0.000 2.083 261 R HA -0.192 4.146 4.340 -0.002 0.000 0.237 261 R C 1.654 177.561 176.300 -0.654 0.000 1.137 261 R CA 1.789 57.677 56.100 -0.353 0.000 0.951 261 R CB -0.153 30.014 30.300 -0.222 0.000 0.851 261 R HN 0.304 nan 8.270 nan 0.000 0.434 262 W N 0.866 122.038 121.300 -0.212 0.000 2.436 262 W HA -0.040 4.617 4.660 -0.005 0.000 0.284 262 W C 2.256 178.782 176.519 0.012 0.000 1.225 262 W CA 0.366 57.703 57.345 -0.014 0.000 1.271 262 W CB 0.053 29.618 29.460 0.174 0.000 1.114 262 W HN 0.119 nan 8.180 nan 0.000 0.559 263 E N 0.230 120.527 120.200 0.162 0.000 2.153 263 E HA -0.229 4.120 4.350 -0.002 0.000 0.194 263 E C 1.795 178.425 176.600 0.050 0.000 0.988 263 E CA 1.417 57.891 56.400 0.123 0.000 0.811 263 E CB -0.417 29.334 29.700 0.085 0.000 0.746 263 E HN 0.519 nan 8.360 nan 0.000 0.466 264 E N -0.333 119.827 120.200 -0.066 0.000 2.107 264 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 264 E C 1.691 178.281 176.600 -0.018 0.000 0.982 264 E CA 0.604 56.951 56.400 -0.089 0.000 0.809 264 E CB -0.044 29.542 29.700 -0.190 0.000 0.756 264 E HN 0.169 nan 8.360 nan 0.000 0.459 265 Y N 0.897 121.166 120.300 -0.051 0.000 2.128 265 Y HA -0.207 4.341 4.550 -0.003 0.000 0.284 265 Y C 2.224 178.099 175.900 -0.042 0.000 1.154 265 Y CA 1.067 59.125 58.100 -0.071 0.000 1.149 265 Y CB -0.647 37.661 38.460 -0.254 0.000 0.976 265 Y HN 0.100 nan 8.280 nan 0.000 0.505 266 L N -0.556 120.767 121.223 0.167 0.000 2.056 266 L HA -0.194 4.145 4.340 -0.002 0.000 0.207 266 L C 2.452 179.384 176.870 0.104 0.000 1.078 266 L CA 1.501 56.399 54.840 0.097 0.000 0.749 266 L CB -0.520 41.625 42.059 0.144 0.000 0.901 266 L HN 0.068 nan 8.230 nan 0.000 0.433 267 K N 0.976 121.440 120.400 0.107 0.000 2.057 267 K HA -0.155 4.164 4.320 -0.002 0.000 0.207 267 K C 2.002 178.666 176.600 0.107 0.000 1.049 267 K CA 1.600 57.946 56.287 0.097 0.000 0.931 267 K CB -0.031 32.510 32.500 0.068 0.000 0.714 267 K HN 0.126 nan 8.250 nan 0.000 0.440 268 K N -1.366 119.101 120.400 0.112 0.000 2.167 268 K HA 0.033 4.351 4.320 -0.002 0.000 0.203 268 K C 2.039 178.764 176.600 0.209 0.000 1.052 268 K CA 1.169 57.535 56.287 0.130 0.000 0.956 268 K CB -0.057 32.507 32.500 0.107 0.000 0.735 268 K HN 0.328 nan 8.250 nan 0.000 0.451 269 G N 0.923 109.857 108.800 0.224 0.000 2.492 269 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.214 269 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.214 269 G C 0.746 175.884 174.900 0.396 0.000 1.147 269 G CA -0.110 45.182 45.100 0.320 0.000 0.809 269 G HN 0.060 nan 8.290 nan 0.000 0.533 270 L N 3.083 124.446 121.223 0.232 0.000 2.423 270 L HA 0.217 4.556 4.340 -0.002 0.000 0.249 270 L C 1.186 178.250 176.870 0.324 0.000 1.276 270 L CA -0.098 54.902 54.840 0.268 0.000 1.199 270 L CB 0.142 42.271 42.059 0.118 0.000 1.407 270 L HN 0.166 nan 8.230 nan 0.000 0.410 271 T N -3.896 110.866 114.554 0.347 0.000 3.134 271 T HA 0.078 4.426 4.350 -0.002 0.000 0.260 271 T C 0.589 175.327 174.700 0.064 0.000 1.027 271 T CA -0.449 61.760 62.100 0.181 0.000 0.913 271 T CB -0.234 68.724 68.868 0.150 0.000 1.046 271 T HN 0.242 nan 8.240 nan 0.000 0.553 272 N N 2.899 121.598 118.700 -0.002 0.000 2.609 272 N HA 0.309 5.047 4.740 -0.002 0.000 0.234 272 N C -1.534 173.931 175.510 -0.075 0.000 1.001 272 N CA -2.544 50.382 53.050 -0.206 0.000 0.926 272 N CB 1.720 39.809 38.487 -0.664 0.000 1.130 272 N HN 0.010 nan 8.380 nan 0.000 0.510 273 P HA -0.031 nan 4.420 nan 0.000 0.225 273 P C -0.075 177.225 177.300 -0.001 0.000 1.148 273 P CA 0.801 63.910 63.100 0.015 0.000 0.779 273 P CB 0.596 32.305 31.700 0.015 0.000 0.780 274 D N -0.044 120.331 120.400 -0.040 0.000 2.347 274 D HA 0.103 4.742 4.640 -0.002 0.000 0.213 274 D C 1.042 177.323 176.300 -0.032 0.000 0.985 274 D CA 0.254 54.233 54.000 -0.035 0.000 0.879 274 D CB -0.212 40.560 40.800 -0.048 0.000 0.919 274 D HN 0.148 nan 8.370 nan 0.000 0.526 275 A N 0.887 123.684 122.820 -0.037 0.000 2.425 275 A HA 0.397 4.716 4.320 -0.002 0.000 0.249 275 A C 0.946 178.559 177.584 0.049 0.000 1.084 275 A CA -0.306 51.737 52.037 0.010 0.000 0.781 275 A CB 0.165 19.217 19.000 0.087 0.000 1.019 275 A HN 0.172 nan 8.150 nan 0.000 0.490 276 T N 0.158 114.710 114.554 -0.003 0.000 2.816 276 T HA 0.397 4.745 4.350 -0.002 0.000 0.282 276 T C -1.943 172.802 174.700 0.075 0.000 0.993 276 T CA -1.235 60.869 62.100 0.007 0.000 0.994 276 T CB 0.605 69.438 68.868 -0.058 0.000 1.025 276 T HN 0.311 nan 8.240 nan 0.000 0.529 277 P HA -0.063 nan 4.420 nan 0.000 0.215 277 P C 1.261 178.653 177.300 0.153 0.000 1.153 277 P CA 1.005 64.180 63.100 0.125 0.000 0.853 277 P CB 0.033 31.785 31.700 0.087 0.000 0.788 278 E N -0.465 119.816 120.200 0.135 0.000 2.110 278 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 278 E C 2.095 178.845 176.600 0.251 0.000 0.988 278 E CA 1.249 57.770 56.400 0.201 0.000 0.804 278 E CB -0.860 28.996 29.700 0.259 0.000 0.745 278 E HN 0.414 nan 8.360 nan 0.000 0.458 279 Q N -0.367 119.499 119.800 0.110 0.000 2.172 279 Q HA -0.038 4.301 4.340 -0.002 0.000 0.200 279 Q C 1.966 178.141 176.000 0.291 0.000 0.964 279 Q CA 1.532 57.389 55.803 0.091 0.000 0.855 279 Q CB -0.019 28.595 28.738 -0.208 0.000 0.918 279 Q HN 0.227 nan 8.270 nan 0.000 0.444 280 T N 0.752 115.453 114.554 0.245 0.000 2.821 280 T HA -0.150 4.198 4.350 -0.002 0.000 0.267 280 T C 1.675 176.372 174.700 -0.006 0.000 1.046 280 T CA 1.199 63.369 62.100 0.118 0.000 1.139 280 T CB -0.128 68.874 68.868 0.222 0.000 0.871 280 T HN 0.261 nan 8.240 nan 0.000 0.454 281 R N 0.793 121.377 120.500 0.139 0.000 2.096 281 R HA -0.057 4.281 4.340 -0.002 0.000 0.235 281 R C 2.186 178.529 176.300 0.071 0.000 1.127 281 R CA 1.031 57.208 56.100 0.129 0.000 0.968 281 R CB -0.463 29.962 30.300 0.208 0.000 0.861 281 R HN 0.217 nan 8.270 nan 0.000 0.440 282 V N 1.126 121.129 119.914 0.147 0.000 2.407 282 V HA -0.211 3.908 4.120 -0.002 0.000 0.248 282 V C 2.486 178.650 176.094 0.116 0.000 1.055 282 V CA 1.850 64.265 62.300 0.192 0.000 1.049 282 V CB -0.674 31.367 31.823 0.364 0.000 0.662 282 V HN 0.561 nan 8.190 nan 0.000 0.455 283 A N -0.163 122.649 122.820 -0.013 0.000 1.902 283 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 283 A C 2.373 179.847 177.584 -0.184 0.000 1.181 283 A CA 2.070 54.008 52.037 -0.165 0.000 0.623 283 A CB -0.660 17.833 19.000 -0.845 0.000 0.818 283 A HN 0.348 nan 8.150 nan 0.000 0.443 284 V N 0.329 120.085 119.914 -0.264 0.000 2.427 284 V HA -0.250 3.869 4.120 -0.002 0.000 0.248 284 V C 2.509 178.531 176.094 -0.120 0.000 1.051 284 V CA 2.289 64.412 62.300 -0.295 0.000 1.048 284 V CB -0.656 30.852 31.823 -0.525 0.000 0.666 284 V HN 0.718 nan 8.190 nan 0.000 0.456 285 K N 0.551 120.931 120.400 -0.034 0.000 2.097 285 K HA -0.164 4.154 4.320 -0.002 0.000 0.206 285 K C 2.165 178.789 176.600 0.040 0.000 1.049 285 K CA 1.545 57.855 56.287 0.038 0.000 0.933 285 K CB -0.288 32.261 32.500 0.082 0.000 0.717 285 K HN 0.418 nan 8.250 nan 0.000 0.442 286 A N 0.978 123.815 122.820 0.029 0.000 1.898 286 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 286 A C 1.972 179.510 177.584 -0.078 0.000 1.181 286 A CA 1.297 53.356 52.037 0.036 0.000 0.620 286 A CB -0.440 18.632 19.000 0.119 0.000 0.819 286 A HN 0.281 nan 8.150 nan 0.000 0.442 287 I N 0.306 120.712 120.570 -0.273 0.000 2.179 287 I HA -0.218 3.951 4.170 -0.002 0.000 0.242 287 I C 2.377 178.421 176.117 -0.121 0.000 1.088 287 I CA 1.571 62.535 61.300 -0.559 0.000 1.357 287 I CB -0.597 36.911 38.000 -0.819 0.000 1.051 287 I HN 0.400 nan 8.210 nan 0.000 0.409 288 E N -0.283 119.957 120.200 0.066 0.000 2.077 288 E HA -0.201 4.147 4.350 -0.002 0.000 0.193 288 E C 2.155 178.884 176.600 0.216 0.000 0.989 288 E CA 1.899 58.455 56.400 0.261 0.000 0.800 288 E CB -0.228 29.583 29.700 0.184 0.000 0.746 288 E HN 0.487 nan 8.360 nan 0.000 0.452 289 T N 1.654 116.283 114.554 0.126 0.000 2.708 289 T HA -0.131 4.217 4.350 -0.002 0.000 0.266 289 T C 2.023 176.776 174.700 0.089 0.000 1.037 289 T CA 0.872 63.037 62.100 0.109 0.000 1.146 289 T CB -0.230 68.686 68.868 0.081 0.000 0.865 289 T HN 0.072 nan 8.240 nan 0.000 0.435 290 L N 1.082 122.352 121.223 0.078 0.000 2.046 290 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 290 L C 2.545 179.482 176.870 0.112 0.000 1.077 290 L CA 0.996 55.880 54.840 0.073 0.000 0.747 290 L CB -0.561 41.572 42.059 0.123 0.000 0.896 290 L HN 0.187 nan 8.230 nan 0.000 0.432 291 N N 0.222 119.017 118.700 0.158 0.000 2.309 291 N HA -0.106 4.633 4.740 -0.002 0.000 0.182 291 N C 1.796 177.473 175.510 0.279 0.000 1.018 291 N CA 1.336 54.547 53.050 0.268 0.000 0.876 291 N CB -0.386 38.214 38.487 0.188 0.000 0.972 291 N HN 0.352 nan 8.380 nan 0.000 0.434 292 G N 0.343 109.260 108.800 0.196 0.000 2.448 292 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.218 292 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.218 292 G C 1.337 176.182 174.900 -0.092 0.000 1.135 292 G CA 0.242 45.397 45.100 0.090 0.000 0.784 292 G HN 0.262 nan 8.290 nan 0.000 0.543 293 N N -0.535 118.143 118.700 -0.036 0.000 2.398 293 N HA 0.048 4.787 4.740 -0.002 0.000 0.188 293 N C -0.021 175.462 175.510 -0.044 0.000 1.122 293 N CA -0.350 52.635 53.050 -0.110 0.000 0.866 293 N CB 0.082 38.525 38.487 -0.073 0.000 0.970 293 N HN 0.521 nan 8.380 nan 0.000 0.462 294 W N 3.239 124.428 121.300 -0.184 0.000 2.304 294 W HA 0.331 4.989 4.660 -0.005 0.000 0.313 294 W C -0.504 175.891 176.519 -0.206 0.000 1.323 294 W CA -0.840 56.410 57.345 -0.158 0.000 1.223 294 W CB 0.443 29.831 29.460 -0.121 0.000 1.237 294 W HN -0.237 nan 8.180 nan 0.000 0.535 295 R N 4.726 125.270 120.500 0.074 0.000 2.562 295 R HA 0.342 4.680 4.340 -0.002 0.000 0.298 295 R C 0.174 176.572 176.300 0.162 0.000 0.961 295 R CA -0.657 55.323 56.100 -0.200 0.000 0.881 295 R CB 1.650 31.738 30.300 -0.354 0.000 1.159 295 R HN 0.716 nan 8.270 nan 0.000 0.450 296 S N 2.129 117.941 115.700 0.186 0.000 2.624 296 S HA 0.386 4.854 4.470 -0.002 0.000 0.263 296 S C -2.316 172.563 174.600 0.465 0.000 1.287 296 S CA -1.181 57.243 58.200 0.374 0.000 0.990 296 S CB 0.360 63.753 63.200 0.322 0.000 0.950 296 S HN 0.259 nan 8.310 nan 0.000 0.561 297 P HA 0.363 nan 4.420 nan 0.000 0.265 297 P C -0.157 177.209 177.300 0.110 0.000 1.187 297 P CA 0.443 63.654 63.100 0.186 0.000 0.766 297 P CB 0.226 31.955 31.700 0.048 0.000 0.820 298 G N 0.971 109.735 108.800 -0.061 0.000 2.761 298 G HA2 0.525 4.484 3.960 -0.002 0.000 0.296 298 G HA3 0.525 4.484 3.960 -0.002 0.000 0.296 298 G C -0.044 174.108 174.900 -1.246 0.000 1.416 298 G CA 0.148 44.850 45.100 -0.663 0.000 1.105 298 G HN 0.785 nan 8.290 nan 0.000 0.565 299 G N 1.103 108.603 108.800 -2.168 0.000 2.611 299 G HA2 0.083 4.041 3.960 -0.002 0.000 0.301 299 G HA3 0.083 4.041 3.960 -0.002 0.000 0.301 299 G C 1.678 176.184 174.900 -0.657 0.000 1.233 299 G CA 1.760 45.765 45.100 -1.825 0.000 0.993 299 G HN 2.138 nan 8.290 nan 0.000 0.553 300 A N -0.824 121.781 122.820 -0.359 0.000 2.121 300 A HA 0.441 4.760 4.320 -0.002 0.000 0.218 300 A C 1.381 179.134 177.584 0.282 0.000 1.154 300 A CA 1.986 54.030 52.037 0.011 0.000 0.679 300 A CB -0.201 18.748 19.000 -0.085 0.000 0.795 300 A HN 1.494 nan 8.150 nan 0.000 0.458 301 V N 1.654 121.654 119.914 0.143 0.000 2.389 301 V HA 0.129 4.248 4.120 -0.002 0.000 0.264 301 V C 0.547 176.730 176.094 0.149 0.000 1.049 301 V CA -0.337 62.131 62.300 0.280 0.000 0.932 301 V CB 1.003 32.967 31.823 0.234 0.000 1.011 301 V HN 0.253 nan 8.190 nan 0.000 0.475 302 K N 3.720 124.207 120.400 0.145 0.000 2.458 302 K HA 0.296 4.615 4.320 -0.002 0.000 0.194 302 K C -0.361 175.994 176.600 -0.407 0.000 1.024 302 K CA 0.347 56.531 56.287 -0.173 0.000 1.108 302 K CB -0.044 32.264 32.500 -0.319 0.000 0.846 302 K HN 0.512 nan 8.250 nan 0.000 0.518 303 F N 0.157 120.181 119.950 0.124 0.000 2.611 303 F HA 0.311 4.840 4.527 0.003 0.000 0.324 303 F C 0.802 176.700 175.800 0.163 0.000 1.061 303 F CA -1.155 56.922 58.000 0.128 0.000 0.954 303 F CB 0.790 39.861 39.000 0.119 0.000 1.301 303 F HN -0.220 nan 8.300 nan 0.000 0.482 304 N N 0.656 119.584 118.700 0.380 0.000 2.508 304 N HA 0.242 4.981 4.740 -0.002 0.000 0.264 304 N C -0.383 175.291 175.510 0.274 0.000 1.216 304 N CA 0.508 53.772 53.050 0.357 0.000 0.943 304 N CB 1.449 40.142 38.487 0.343 0.000 1.113 304 N HN 0.612 nan 8.380 nan 0.000 0.447 305 T N -0.201 114.513 114.554 0.266 0.000 2.754 305 T HA 0.527 4.876 4.350 -0.002 0.000 0.296 305 T C -1.567 173.213 174.700 0.133 0.000 1.205 305 T CA -0.514 61.676 62.100 0.150 0.000 1.009 305 T CB 1.113 70.061 68.868 0.133 0.000 1.368 305 T HN 0.044 nan 8.240 nan 0.000 0.509 306 V N 2.659 122.602 119.914 0.049 0.000 2.577 306 V HA 0.597 4.716 4.120 -0.002 0.000 0.303 306 V C 0.458 176.555 176.094 0.005 0.000 1.042 306 V CA -0.773 61.542 62.300 0.024 0.000 0.872 306 V CB 1.537 33.343 31.823 -0.028 0.000 0.998 306 V HN 1.131 nan 8.190 nan 0.000 0.423 307 T N 2.175 116.726 114.554 -0.005 0.000 2.927 307 T HA 0.471 4.820 4.350 -0.002 0.000 0.281 307 T C -1.974 172.689 174.700 -0.063 0.000 0.998 307 T CA -2.063 60.060 62.100 0.039 0.000 1.019 307 T CB 2.043 70.954 68.868 0.072 0.000 1.061 307 T HN 0.373 nan 8.240 nan 0.000 0.518 308 P HA 0.089 nan 4.420 nan 0.000 0.220 308 P C 0.124 177.277 177.300 -0.246 0.000 1.148 308 P CA 0.765 63.585 63.100 -0.466 0.000 0.803 308 P CB 0.232 31.315 31.700 -1.027 0.000 0.782 309 S N -2.313 113.389 115.700 0.003 0.000 2.546 309 S HA 0.103 4.572 4.470 -0.002 0.000 0.303 309 S C 0.263 174.885 174.600 0.035 0.000 1.067 309 S CA -0.624 57.618 58.200 0.069 0.000 0.944 309 S CB 0.420 63.747 63.200 0.211 0.000 1.155 309 S HN -0.198 nan 8.310 nan 0.000 0.449 310 V N 4.944 124.792 119.914 -0.110 0.000 2.720 310 V HA -0.027 4.092 4.120 -0.002 0.000 0.256 310 V C 2.037 178.035 176.094 -0.161 0.000 1.082 310 V CA 2.809 64.942 62.300 -0.278 0.000 1.101 310 V CB -0.454 30.977 31.823 -0.653 0.000 0.693 310 V HN 1.054 nan 8.190 nan 0.000 0.479 311 T N -2.529 112.004 114.554 -0.034 0.000 3.086 311 T HA 0.310 4.658 4.350 -0.002 0.000 0.250 311 T C 0.949 175.668 174.700 0.030 0.000 1.074 311 T CA 0.345 62.460 62.100 0.025 0.000 0.988 311 T CB 0.002 68.924 68.868 0.090 0.000 0.988 311 T HN 0.552 nan 8.240 nan 0.000 0.530 312 G N 1.400 110.231 108.800 0.050 0.000 2.442 312 G HA2 0.345 4.303 3.960 -0.002 0.000 0.249 312 G HA3 0.345 4.303 3.960 -0.002 0.000 0.249 312 G C 0.789 175.658 174.900 -0.052 0.000 1.263 312 G CA -0.713 44.420 45.100 0.054 0.000 0.846 312 G HN 0.227 nan 8.290 nan 0.000 0.555 313 R N 1.234 121.640 120.500 -0.158 0.000 2.105 313 R HA -0.082 4.257 4.340 -0.002 0.000 0.239 313 R C 1.045 176.890 176.300 -0.757 0.000 1.135 313 R CA 1.717 57.397 56.100 -0.700 0.000 0.967 313 R CB -0.215 29.400 30.300 -1.142 0.000 0.861 313 R HN 0.746 nan 8.270 nan 0.000 0.442 314 W N -2.179 119.004 121.300 -0.195 0.000 2.684 314 W HA 0.310 4.969 4.660 -0.003 0.000 0.381 314 W C -0.135 176.475 176.519 0.152 0.000 0.975 314 W CA -0.766 56.563 57.345 -0.026 0.000 1.789 314 W CB 0.592 29.985 29.460 -0.112 0.000 1.161 314 W HN -0.099 nan 8.180 nan 0.000 0.564 315 F N -0.817 119.326 119.950 0.321 0.000 2.688 315 F HA 0.329 4.855 4.527 -0.003 0.000 0.310 315 F C 1.367 177.262 175.800 0.159 0.000 1.098 315 F CA -0.787 57.380 58.000 0.279 0.000 1.228 315 F CB -0.492 38.575 39.000 0.110 0.000 1.042 315 F HN -0.330 nan 8.300 nan 0.000 0.557 316 S N -0.770 115.063 115.700 0.222 0.000 2.607 316 S HA 0.662 5.131 4.470 -0.002 0.000 0.272 316 S C 1.068 175.647 174.600 -0.034 0.000 1.166 316 S CA 0.384 58.604 58.200 0.032 0.000 1.021 316 S CB 0.372 63.562 63.200 -0.018 0.000 1.113 316 S HN 0.617 nan 8.310 nan 0.000 0.531 317 G N 1.876 110.598 108.800 -0.130 0.000 2.574 317 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.286 317 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.286 317 G C -0.080 174.715 174.900 -0.176 0.000 1.212 317 G CA 0.528 45.582 45.100 -0.077 0.000 0.979 317 G HN 1.200 nan 8.290 nan 0.000 0.557 318 N N 0.682 119.441 118.700 0.099 0.000 2.338 318 N HA 0.155 4.893 4.740 -0.002 0.000 0.251 318 N C 0.301 175.861 175.510 0.082 0.000 1.199 318 N CA 0.167 53.273 53.050 0.094 0.000 0.879 318 N CB 0.250 38.948 38.487 0.352 0.000 1.159 318 N HN 0.829 nan 8.380 nan 0.000 0.514 319 Q N 0.616 120.448 119.800 0.054 0.000 2.274 319 Q HA 0.147 4.486 4.340 -0.002 0.000 0.280 319 Q C -0.520 175.448 176.000 -0.054 0.000 1.047 319 Q CA 0.717 56.473 55.803 -0.078 0.000 0.907 319 Q CB 0.429 29.164 28.738 -0.006 0.000 1.171 319 Q HN 0.199 nan 8.270 nan 0.000 0.381 320 T N 2.818 117.196 114.554 -0.293 0.000 2.861 320 T HA 0.454 4.803 4.350 -0.002 0.000 0.287 320 T C -0.882 173.632 174.700 -0.309 0.000 1.003 320 T CA -0.750 61.270 62.100 -0.133 0.000 0.977 320 T CB 1.035 69.826 68.868 -0.129 0.000 0.996 320 T HN 0.418 nan 8.240 nan 0.000 0.448 321 W N 2.236 123.432 121.300 -0.174 0.000 2.689 321 W HA 0.287 4.946 4.660 -0.002 0.000 0.340 321 W C -2.193 174.142 176.519 -0.307 0.000 1.060 321 W CA -2.356 54.885 57.345 -0.174 0.000 1.218 321 W CB 1.926 31.365 29.460 -0.035 0.000 1.410 321 W HN 0.486 nan 8.180 nan 0.000 0.528 322 P HA -0.186 nan 4.420 nan 0.000 0.214 322 P C 1.811 178.621 177.300 -0.816 0.000 1.162 322 P CA 1.854 64.540 63.100 -0.691 0.000 0.874 322 P CB 0.241 31.738 31.700 -0.338 0.000 0.784 323 W N 1.216 122.307 121.300 -0.349 0.000 2.301 323 W HA -0.289 4.369 4.660 -0.003 0.000 0.325 323 W C 1.400 177.843 176.519 -0.126 0.000 1.250 323 W CA 1.657 58.925 57.345 -0.128 0.000 1.261 323 W CB -0.516 28.980 29.460 0.059 0.000 1.157 323 W HN -0.047 nan 8.180 nan 0.000 0.473 324 D N -0.549 119.901 120.400 0.083 0.000 2.123 324 D HA -0.200 4.439 4.640 -0.002 0.000 0.196 324 D C 2.101 178.352 176.300 -0.082 0.000 0.992 324 D CA 2.441 56.451 54.000 0.017 0.000 0.833 324 D CB -0.815 40.026 40.800 0.069 0.000 0.954 324 D HN 0.033 nan 8.370 nan 0.000 0.455 325 T N -0.348 114.089 114.554 -0.194 0.000 2.720 325 T HA -0.175 4.173 4.350 -0.002 0.000 0.268 325 T C 1.606 176.328 174.700 0.036 0.000 1.037 325 T CA 1.142 63.124 62.100 -0.197 0.000 1.144 325 T CB -0.526 68.089 68.868 -0.423 0.000 0.864 325 T HN 0.386 nan 8.240 nan 0.000 0.444 326 W N 2.328 123.742 121.300 0.190 0.000 2.335 326 W HA -0.154 4.505 4.660 -0.003 0.000 0.311 326 W C 2.496 179.197 176.519 0.304 0.000 1.213 326 W CA 0.701 58.227 57.345 0.301 0.000 1.274 326 W CB -0.201 29.526 29.460 0.445 0.000 1.148 326 W HN 0.307 nan 8.180 nan 0.000 0.498 327 K N 0.644 121.273 120.400 0.382 0.000 2.167 327 K HA -0.060 4.258 4.320 -0.002 0.000 0.203 327 K C 1.756 178.376 176.600 0.033 0.000 1.052 327 K CA 1.154 57.564 56.287 0.206 0.000 0.956 327 K CB -0.708 31.762 32.500 -0.052 0.000 0.735 327 K HN 0.270 nan 8.250 nan 0.000 0.451 328 Q N 0.985 120.792 119.800 0.012 0.000 2.046 328 Q HA -0.059 4.280 4.340 -0.002 0.000 0.200 328 Q C 2.331 178.286 176.000 -0.075 0.000 0.975 328 Q CA 1.718 57.490 55.803 -0.052 0.000 0.836 328 Q CB -0.238 28.459 28.738 -0.068 0.000 0.896 328 Q HN 0.510 nan 8.270 nan 0.000 0.428 329 A N 0.078 122.893 122.820 -0.009 0.000 1.969 329 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 329 A C 1.824 179.342 177.584 -0.111 0.000 1.169 329 A CA 0.767 52.762 52.037 -0.070 0.000 0.635 329 A CB -0.670 18.366 19.000 0.061 0.000 0.810 329 A HN 0.441 nan 8.150 nan 0.000 0.445 330 F N 0.944 120.780 119.950 -0.190 0.000 2.102 330 F HA -0.115 4.411 4.527 -0.002 0.000 0.298 330 F C 2.515 178.222 175.800 -0.155 0.000 1.105 330 F CA 1.465 59.279 58.000 -0.310 0.000 1.239 330 F CB -0.279 38.382 39.000 -0.564 0.000 0.991 330 F HN 0.254 nan 8.300 nan 0.000 0.474 331 A N 0.267 123.119 122.820 0.053 0.000 1.872 331 A HA -0.160 4.159 4.320 -0.002 0.000 0.214 331 A C 2.227 179.670 177.584 -0.236 0.000 1.187 331 A CA 1.685 53.754 52.037 0.053 0.000 0.614 331 A CB -0.815 18.220 19.000 0.058 0.000 0.826 331 A HN 0.464 nan 8.150 nan 0.000 0.442 332 M N -0.181 119.120 119.600 -0.498 0.000 2.446 332 M HA -0.103 4.375 4.480 -0.002 0.000 0.263 332 M C 2.257 178.023 176.300 -0.891 0.000 1.066 332 M CA 0.898 55.548 55.300 -1.083 0.000 1.087 332 M CB -0.359 31.742 32.600 -0.832 0.000 1.406 332 M HN 0.501 nan 8.290 nan 0.000 0.459 333 A N -0.408 122.065 122.820 -0.578 0.000 2.019 333 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 333 A C 1.394 178.611 177.584 -0.613 0.000 1.164 333 A CA 1.563 53.241 52.037 -0.599 0.000 0.644 333 A CB -0.939 17.681 19.000 -0.634 0.000 0.805 333 A HN 0.527 nan 8.150 nan 0.000 0.449 334 H N -2.281 116.552 119.070 -0.395 0.000 2.547 334 H HA 0.225 4.780 4.556 -0.002 0.000 0.266 334 H C 0.927 176.227 175.328 -0.046 0.000 0.988 334 H CA 1.307 57.266 56.048 -0.148 0.000 1.147 334 H CB 0.031 29.867 29.762 0.123 0.000 1.365 334 H HN 0.800 nan 8.280 nan 0.000 0.589 335 F N -4.111 115.727 119.950 -0.186 0.000 2.801 335 F HA 0.317 4.842 4.527 -0.003 0.000 0.381 335 F C -0.024 175.694 175.800 -0.138 0.000 0.861 335 F CA -0.608 57.297 58.000 -0.158 0.000 1.039 335 F CB 0.572 39.427 39.000 -0.242 0.000 1.041 335 F HN -0.157 nan 8.300 nan 0.000 0.596 336 N N 2.810 121.087 118.700 -0.705 0.000 2.703 336 N HA 0.330 5.068 4.740 -0.002 0.000 0.283 336 N C -2.073 173.092 175.510 -0.575 0.000 1.851 336 N CA -2.268 50.477 53.050 -0.508 0.000 0.826 336 N CB 0.744 38.800 38.487 -0.718 0.000 1.239 336 N HN 0.003 nan 8.380 nan 0.000 0.495 337 P HA -0.110 nan 4.420 nan 0.000 0.216 337 P C 0.488 177.516 177.300 -0.452 0.000 1.150 337 P CA 1.114 63.929 63.100 -0.474 0.000 0.837 337 P CB 0.614 32.068 31.700 -0.411 0.000 0.786 338 D N -0.091 120.088 120.400 -0.369 0.000 2.123 338 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 338 D C 1.977 178.060 176.300 -0.361 0.000 0.992 338 D CA 0.977 54.788 54.000 -0.315 0.000 0.833 338 D CB -0.490 40.173 40.800 -0.227 0.000 0.954 338 D HN 0.145 nan 8.370 nan 0.000 0.455 339 I N 0.644 120.915 120.570 -0.500 0.000 2.617 339 I HA -0.027 4.142 4.170 -0.002 0.000 0.256 339 I C 2.352 178.209 176.117 -0.433 0.000 1.167 339 I CA 0.317 61.270 61.300 -0.579 0.000 1.469 339 I CB -1.312 36.069 38.000 -1.032 0.000 1.098 339 I HN -0.132 nan 8.210 nan 0.000 0.436 340 A N 1.372 123.916 122.820 -0.459 0.000 1.883 340 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 340 A C 2.379 179.791 177.584 -0.287 0.000 1.186 340 A CA 1.597 53.410 52.037 -0.373 0.000 0.624 340 A CB -0.473 18.258 19.000 -0.448 0.000 0.822 340 A HN 0.330 nan 8.150 nan 0.000 0.444 341 K N -0.561 119.585 120.400 -0.424 0.000 2.026 341 K HA -0.134 4.184 4.320 -0.002 0.000 0.208 341 K C 2.019 178.575 176.600 -0.073 0.000 1.048 341 K CA 1.348 57.362 56.287 -0.455 0.000 0.929 341 K CB -0.176 31.882 32.500 -0.736 0.000 0.713 341 K HN 0.431 nan 8.250 nan 0.000 0.439 342 E N 0.961 121.108 120.200 -0.089 0.000 2.085 342 E HA -0.204 4.144 4.350 -0.002 0.000 0.194 342 E C 1.845 178.463 176.600 0.030 0.000 0.994 342 E CA 0.972 57.389 56.400 0.027 0.000 0.801 342 E CB -0.349 29.384 29.700 0.054 0.000 0.743 342 E HN 0.239 nan 8.360 nan 0.000 0.453 343 N N 1.096 119.787 118.700 -0.015 0.000 2.104 343 N HA -0.150 4.589 4.740 -0.002 0.000 0.190 343 N C 1.750 177.287 175.510 0.046 0.000 1.024 343 N CA 0.914 53.965 53.050 0.001 0.000 0.853 343 N CB -0.181 38.275 38.487 -0.051 0.000 1.008 343 N HN 0.072 nan 8.380 nan 0.000 0.424 344 I N 0.964 121.626 120.570 0.152 0.000 2.179 344 I HA -0.186 3.982 4.170 -0.002 0.000 0.242 344 I C 2.264 178.554 176.117 0.289 0.000 1.088 344 I CA 1.010 62.523 61.300 0.356 0.000 1.357 344 I CB -1.004 37.355 38.000 0.598 0.000 1.051 344 I HN 0.242 nan 8.210 nan 0.000 0.409 345 R N 0.787 121.347 120.500 0.101 0.000 2.091 345 R HA -0.153 4.185 4.340 -0.002 0.000 0.238 345 R C 2.413 178.501 176.300 -0.353 0.000 1.136 345 R CA 1.628 57.580 56.100 -0.248 0.000 0.959 345 R CB -0.499 29.372 30.300 -0.714 0.000 0.856 345 R HN 0.372 nan 8.270 nan 0.000 0.437 346 A N 0.798 123.502 122.820 -0.193 0.000 1.892 346 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 346 A C 2.396 179.994 177.584 0.024 0.000 1.188 346 A CA 1.815 53.879 52.037 0.045 0.000 0.631 346 A CB -0.737 18.343 19.000 0.134 0.000 0.822 346 A HN 0.143 nan 8.150 nan 0.000 0.447 347 V N -1.656 118.202 119.914 -0.094 0.000 2.343 347 V HA -0.222 3.897 4.120 -0.002 0.000 0.247 347 V C 2.195 178.106 176.094 -0.304 0.000 1.051 347 V CA 1.985 64.119 62.300 -0.276 0.000 1.036 347 V CB -0.869 30.658 31.823 -0.493 0.000 0.654 347 V HN 0.559 nan 8.190 nan 0.000 0.451 348 F N 0.812 120.720 119.950 -0.071 0.000 2.710 348 F HA -0.017 4.508 4.527 -0.003 0.000 0.298 348 F C 2.520 178.261 175.800 -0.098 0.000 1.137 348 F CA 0.889 58.830 58.000 -0.098 0.000 1.444 348 F CB -0.558 38.382 39.000 -0.101 0.000 1.111 348 F HN 0.235 nan 8.300 nan 0.000 0.580 349 S N -2.003 113.733 115.700 0.060 0.000 2.507 349 S HA -0.193 4.276 4.470 -0.002 0.000 0.235 349 S C 0.991 175.467 174.600 -0.206 0.000 0.988 349 S CA 0.487 58.690 58.200 0.004 0.000 0.944 349 S CB -0.652 62.674 63.200 0.210 0.000 0.762 349 S HN 0.504 nan 8.310 nan 0.000 0.526 350 W N 1.725 123.065 121.300 0.067 0.000 2.407 350 W HA 0.450 5.108 4.660 -0.005 0.000 0.370 350 W C 0.334 176.873 176.519 0.034 0.000 0.928 350 W CA -0.926 56.481 57.345 0.104 0.000 2.005 350 W CB 0.157 29.729 29.460 0.186 0.000 1.171 350 W HN 0.250 nan 8.180 nan 0.000 0.572 351 Q N 1.539 121.399 119.800 0.100 0.000 2.337 351 Q HA 0.175 4.513 4.340 -0.002 0.000 0.270 351 Q C 0.321 176.378 176.000 0.095 0.000 1.002 351 Q CA 0.035 55.862 55.803 0.041 0.000 0.888 351 Q CB 0.709 29.506 28.738 0.098 0.000 1.222 351 Q HN 0.174 nan 8.270 nan 0.000 0.400 352 I N 4.308 124.950 120.570 0.119 0.000 2.683 352 I HA -0.085 4.084 4.170 -0.002 0.000 0.286 352 I C 0.411 176.592 176.117 0.108 0.000 1.175 352 I CA 0.253 61.642 61.300 0.148 0.000 1.429 352 I CB 0.356 38.466 38.000 0.184 0.000 1.371 352 I HN 0.570 nan 8.210 nan 0.000 0.569 353 Q N 7.011 126.864 119.800 0.088 0.000 2.257 353 Q HA 0.458 4.797 4.340 -0.002 0.000 0.262 353 Q C -2.315 173.724 176.000 0.066 0.000 0.997 353 Q CA -2.117 53.724 55.803 0.064 0.000 0.873 353 Q CB 1.208 29.966 28.738 0.032 0.000 1.312 353 Q HN 0.296 nan 8.270 nan 0.000 0.450 354 P HA 0.012 nan 4.420 nan 0.000 0.264 354 P C 0.470 177.796 177.300 0.044 0.000 1.183 354 P CA 1.117 64.249 63.100 0.054 0.000 0.763 354 P CB 0.259 31.986 31.700 0.044 0.000 0.807 355 G N 1.925 110.751 108.800 0.045 0.000 2.143 355 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.249 355 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.249 355 G C 0.147 175.071 174.900 0.042 0.000 0.981 355 G CA 0.047 45.169 45.100 0.037 0.000 0.665 355 G HN 0.671 nan 8.290 nan 0.000 0.528 356 D N 0.465 120.898 120.400 0.055 0.000 2.506 356 D HA 0.356 4.994 4.640 -0.002 0.000 0.234 356 D C 1.926 178.259 176.300 0.055 0.000 1.143 356 D CA 1.090 55.129 54.000 0.066 0.000 0.871 356 D CB 0.630 41.486 40.800 0.092 0.000 1.190 356 D HN 0.436 nan 8.370 nan 0.000 0.459 357 S N 1.630 117.362 115.700 0.054 0.000 2.453 357 S HA -0.102 4.366 4.470 -0.002 0.000 0.231 357 S C 1.550 176.173 174.600 0.038 0.000 1.005 357 S CA 0.802 59.025 58.200 0.039 0.000 0.949 357 S CB 0.012 63.232 63.200 0.032 0.000 0.774 357 S HN 0.363 nan 8.310 nan 0.000 0.510 358 V N 1.887 121.831 119.914 0.050 0.000 2.521 358 V HA 0.208 4.326 4.120 -0.002 0.000 0.239 358 V C 1.326 177.444 176.094 0.040 0.000 1.053 358 V CA 0.983 63.309 62.300 0.044 0.000 1.073 358 V CB -0.459 31.397 31.823 0.055 0.000 0.746 358 V HN 0.650 nan 8.190 nan 0.000 0.476 359 R N 1.076 121.606 120.500 0.051 0.000 2.629 359 R HA 0.314 4.653 4.340 -0.002 0.000 0.277 359 R C -2.415 173.916 176.300 0.051 0.000 1.637 359 R CA -1.373 54.747 56.100 0.033 0.000 1.663 359 R CB 0.533 30.828 30.300 -0.008 0.000 1.228 359 R HN 0.235 nan 8.270 nan 0.000 0.632 360 P HA -0.222 nan 4.420 nan 0.000 0.225 360 P C 0.707 178.047 177.300 0.066 0.000 1.148 360 P CA 1.076 64.211 63.100 0.058 0.000 0.779 360 P CB 0.405 32.131 31.700 0.044 0.000 0.780 361 Q N -0.673 119.162 119.800 0.057 0.000 2.403 361 Q HA -0.004 4.335 4.340 -0.002 0.000 0.203 361 Q C 0.124 176.199 176.000 0.124 0.000 0.932 361 Q CA 0.869 56.710 55.803 0.063 0.000 0.945 361 Q CB -0.486 28.269 28.738 0.027 0.000 1.045 361 Q HN 0.178 nan 8.270 nan 0.000 0.511 362 D N 1.291 121.779 120.400 0.147 0.000 2.643 362 D HA 0.178 4.817 4.640 -0.002 0.000 0.244 362 D C -0.494 175.973 176.300 0.280 0.000 1.257 362 D CA -0.267 53.894 54.000 0.267 0.000 0.831 362 D CB 0.911 41.721 40.800 0.017 0.000 1.043 362 D HN -0.029 nan 8.370 nan 0.000 0.488 363 V N 0.431 120.500 119.914 0.260 0.000 2.584 363 V HA 0.222 4.341 4.120 -0.002 0.000 0.303 363 V C 1.729 177.995 176.094 0.287 0.000 1.035 363 V CA 1.469 63.900 62.300 0.219 0.000 1.172 363 V CB 0.759 32.684 31.823 0.170 0.000 0.896 363 V HN 0.615 nan 8.190 nan 0.000 0.486 364 G N 4.637 113.555 108.800 0.196 0.000 2.234 364 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.235 364 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.235 364 G C 0.111 175.051 174.900 0.066 0.000 0.997 364 G CA 0.122 45.357 45.100 0.225 0.000 0.623 364 G HN 0.848 nan 8.290 nan 0.000 0.514 365 F N 2.111 121.774 119.950 -0.479 0.000 2.563 365 F HA 0.486 5.011 4.527 -0.002 0.000 0.363 365 F C 0.448 175.926 175.800 -0.537 0.000 1.123 365 F CA -0.034 57.358 58.000 -1.014 0.000 1.307 365 F CB 0.963 39.340 39.000 -1.038 0.000 1.115 365 F HN 0.081 nan 8.300 nan 0.000 0.592 366 V N 8.132 127.215 119.914 -1.386 0.000 2.357 366 V HA 0.302 4.420 4.120 -0.002 0.000 0.284 366 V C -2.108 173.153 176.094 -1.389 0.000 1.018 366 V CA -2.028 59.583 62.300 -1.149 0.000 0.841 366 V CB 1.325 32.430 31.823 -1.197 0.000 0.991 366 V HN 0.678 nan 8.190 nan 0.000 0.437 367 P HA 0.002 nan 4.420 nan 0.000 0.265 367 P C 0.479 177.461 177.300 -0.530 0.000 1.187 367 P CA 0.265 63.000 63.100 -0.609 0.000 0.766 367 P CB 0.685 32.142 31.700 -0.406 0.000 0.820 368 D N 2.912 123.126 120.400 -0.310 0.000 2.178 368 D HA -0.055 4.584 4.640 -0.002 0.000 0.202 368 D C 0.048 176.078 176.300 -0.449 0.000 0.974 368 D CA 1.177 55.065 54.000 -0.185 0.000 0.841 368 D CB 0.070 40.909 40.800 0.064 0.000 0.953 368 D HN 0.181 nan 8.370 nan 0.000 0.478 369 L N 0.785 121.616 121.223 -0.653 0.000 2.562 369 L HA 0.344 4.683 4.340 -0.002 0.000 0.266 369 L C -1.325 174.874 176.870 -1.118 0.000 0.949 369 L CA -0.821 53.421 54.840 -0.996 0.000 0.879 369 L CB 1.467 42.923 42.059 -1.004 0.000 1.278 369 L HN 0.004 nan 8.230 nan 0.000 0.404 370 I N 2.024 121.947 120.570 -1.079 0.000 2.693 370 I HA 1.033 5.202 4.170 -0.002 0.000 0.303 370 I C -0.519 175.224 176.117 -0.623 0.000 1.025 370 I CA -0.407 60.085 61.300 -1.347 0.000 1.086 370 I CB 2.039 39.351 38.000 -1.147 0.000 1.268 370 I HN 0.654 nan 8.210 nan 0.000 0.440 371 A N 3.761 126.431 122.820 -0.250 0.000 2.515 371 A HA 0.285 4.604 4.320 -0.002 0.000 0.299 371 A C -0.158 177.583 177.584 0.261 0.000 1.179 371 A CA -0.684 51.387 52.037 0.057 0.000 0.656 371 A CB 0.330 19.357 19.000 0.046 0.000 1.306 371 A HN 1.023 nan 8.150 nan 0.000 0.459 372 W N 1.241 122.607 121.300 0.110 0.000 2.304 372 W HA -0.110 4.547 4.660 -0.005 0.000 0.315 372 W C -0.340 176.199 176.519 0.034 0.000 1.233 372 W CA 2.146 59.540 57.345 0.082 0.000 1.261 372 W CB -0.166 29.322 29.460 0.047 0.000 1.150 372 W HN 0.614 nan 8.180 nan 0.000 0.494 373 N N 1.342 120.258 118.700 0.360 0.000 2.419 373 N HA 0.217 4.955 4.740 -0.002 0.000 0.277 373 N C -0.366 175.145 175.510 0.002 0.000 1.006 373 N CA -0.254 52.897 53.050 0.168 0.000 0.923 373 N CB 1.633 40.206 38.487 0.143 0.000 1.140 373 N HN -0.105 nan 8.380 nan 0.000 0.488 374 L N 1.043 122.084 121.223 -0.303 0.000 2.476 374 L HA 0.088 4.426 4.340 -0.002 0.000 0.264 374 L C 1.417 177.999 176.870 -0.481 0.000 1.224 374 L CA -0.214 54.140 54.840 -0.809 0.000 0.821 374 L CB 0.306 41.832 42.059 -0.889 0.000 1.101 374 L HN 0.570 nan 8.230 nan 0.000 0.488 375 S N 0.537 115.862 115.700 -0.624 0.000 2.600 375 S HA 0.195 4.664 4.470 -0.002 0.000 0.265 375 S C -1.947 172.527 174.600 -0.211 0.000 1.325 375 S CA -1.070 56.980 58.200 -0.250 0.000 1.002 375 S CB 0.770 63.879 63.200 -0.152 0.000 0.921 375 S HN 0.403 nan 8.310 nan 0.000 0.554 376 P HA -0.071 nan 4.420 nan 0.000 0.218 376 P C 0.944 178.193 177.300 -0.085 0.000 1.148 376 P CA 1.130 64.182 63.100 -0.081 0.000 0.822 376 P CB -0.047 31.631 31.700 -0.037 0.000 0.784 377 E N -0.722 119.430 120.200 -0.081 0.000 2.209 377 E HA -0.139 4.210 4.350 -0.002 0.000 0.196 377 E C 1.372 177.916 176.600 -0.094 0.000 0.993 377 E CA 1.028 57.390 56.400 -0.064 0.000 0.819 377 E CB -0.489 29.189 29.700 -0.037 0.000 0.745 377 E HN 0.273 nan 8.360 nan 0.000 0.477 378 R N -1.204 119.189 120.500 -0.179 0.000 2.546 378 R HA 0.286 4.625 4.340 -0.002 0.000 0.320 378 R C 0.525 176.719 176.300 -0.176 0.000 1.021 378 R CA 0.457 56.439 56.100 -0.196 0.000 1.088 378 R CB 0.893 30.978 30.300 -0.359 0.000 1.278 378 R HN 0.237 nan 8.270 nan 0.000 0.557 379 G N -0.083 108.635 108.800 -0.136 0.000 2.176 379 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.232 379 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.232 379 G C 0.324 175.159 174.900 -0.109 0.000 0.986 379 G CA -0.221 44.819 45.100 -0.101 0.000 0.643 379 G HN 0.538 nan 8.290 nan 0.000 0.522 380 G N -0.278 108.428 108.800 -0.156 0.000 2.753 380 G HA2 0.593 4.551 3.960 -0.002 0.000 0.285 380 G HA3 0.593 4.551 3.960 -0.002 0.000 0.285 380 G C 0.177 175.021 174.900 -0.094 0.000 1.344 380 G CA 0.543 45.568 45.100 -0.126 0.000 1.050 380 G HN 0.564 nan 8.290 nan 0.000 0.532 381 D N -1.580 118.779 120.400 -0.069 0.000 2.571 381 D HA 0.228 4.867 4.640 -0.002 0.000 0.239 381 D C 0.927 177.178 176.300 -0.082 0.000 1.267 381 D CA -0.284 53.676 54.000 -0.067 0.000 0.823 381 D CB 0.103 40.871 40.800 -0.054 0.000 1.056 381 D HN 0.554 nan 8.370 nan 0.000 0.494 382 G N -0.367 108.394 108.800 -0.065 0.000 2.403 382 G HA2 0.431 4.389 3.960 -0.002 0.000 0.259 382 G HA3 0.431 4.389 3.960 -0.002 0.000 0.259 382 G C 0.890 175.761 174.900 -0.048 0.000 1.244 382 G CA -0.402 44.675 45.100 -0.038 0.000 0.849 382 G HN 0.206 nan 8.290 nan 0.000 0.532 383 G N 0.873 109.589 108.800 -0.141 0.000 3.020 383 G HA2 -0.028 3.930 3.960 -0.002 0.000 0.217 383 G HA3 -0.028 3.930 3.960 -0.002 0.000 0.217 383 G C 1.111 176.128 174.900 0.195 0.000 1.144 383 G CA -0.021 45.001 45.100 -0.131 0.000 0.760 383 G HN 0.620 nan 8.290 nan 0.000 0.548 384 N N -0.863 117.949 118.700 0.185 0.000 2.368 384 N HA 0.030 4.769 4.740 -0.002 0.000 0.178 384 N C 0.572 176.154 175.510 0.120 0.000 1.021 384 N CA -0.542 52.640 53.050 0.220 0.000 0.875 384 N CB 0.120 38.711 38.487 0.174 0.000 1.020 384 N HN 0.263 nan 8.380 nan 0.000 0.433 385 W N 3.273 124.530 121.300 -0.073 0.000 2.513 385 W HA -0.069 4.589 4.660 -0.004 0.000 0.339 385 W C -0.305 176.177 176.519 -0.063 0.000 1.257 385 W CA 0.762 58.027 57.345 -0.132 0.000 1.280 385 W CB -0.355 29.008 29.460 -0.162 0.000 1.214 385 W HN 0.075 nan 8.180 nan 0.000 0.567 386 N N 4.004 122.630 118.700 -0.124 0.000 2.295 386 N HA 0.196 4.934 4.740 -0.002 0.000 0.293 386 N C -0.596 174.970 175.510 0.094 0.000 1.040 386 N CA -0.281 52.808 53.050 0.065 0.000 0.840 386 N CB 1.368 39.888 38.487 0.056 0.000 1.468 386 N HN 0.426 nan 8.380 nan 0.000 0.478 387 E N 1.659 122.013 120.200 0.256 0.000 2.876 387 E HA 0.200 4.548 4.350 -0.002 0.000 0.208 387 E C 0.477 177.245 176.600 0.279 0.000 0.981 387 E CA 0.042 56.665 56.400 0.372 0.000 1.174 387 E CB 0.600 30.532 29.700 0.387 0.000 1.047 387 E HN 0.482 nan 8.360 nan 0.000 0.477 388 R N 1.391 122.059 120.500 0.280 0.000 2.276 388 R HA 0.043 4.382 4.340 -0.002 0.000 0.203 388 R C 0.719 177.278 176.300 0.433 0.000 1.017 388 R CA 0.779 57.035 56.100 0.260 0.000 1.010 388 R CB -0.030 30.443 30.300 0.288 0.000 0.900 388 R HN 0.251 nan 8.270 nan 0.000 0.469 389 N N -2.214 116.784 118.700 0.497 0.000 3.356 389 N HA 0.029 4.768 4.740 -0.002 0.000 0.246 389 N C -0.974 174.862 175.510 0.543 0.000 1.480 389 N CA -0.550 52.829 53.050 0.549 0.000 0.877 389 N CB 1.483 40.249 38.487 0.466 0.000 1.431 389 N HN -0.200 nan 8.380 nan 0.000 0.500 390 T N -1.022 113.797 114.554 0.442 0.000 2.602 390 T HA 0.555 4.903 4.350 -0.002 0.000 0.235 390 T C -1.230 173.648 174.700 0.298 0.000 0.882 390 T CA -0.183 62.025 62.100 0.180 0.000 1.123 390 T CB 0.850 69.693 68.868 -0.041 0.000 1.662 390 T HN 0.453 nan 8.240 nan 0.000 0.536 391 K N 0.623 121.241 120.400 0.364 0.000 2.495 391 K HA 0.520 4.839 4.320 -0.002 0.000 0.268 391 K C -2.871 173.944 176.600 0.359 0.000 1.008 391 K CA -2.148 54.292 56.287 0.255 0.000 0.882 391 K CB 1.334 33.955 32.500 0.202 0.000 1.443 391 K HN 0.304 nan 8.250 nan 0.000 0.447 392 P HA 0.004 nan 4.420 nan 0.000 0.265 392 P C -0.593 176.761 177.300 0.091 0.000 1.193 392 P CA 0.287 63.280 63.100 -0.178 0.000 0.765 392 P CB 0.489 31.622 31.700 -0.946 0.000 0.823 393 S N 3.162 118.882 115.700 0.035 0.000 2.411 393 S HA 0.332 4.801 4.470 -0.002 0.000 0.294 393 S C 0.296 174.848 174.600 -0.081 0.000 1.115 393 S CA -0.452 57.845 58.200 0.161 0.000 1.071 393 S CB -0.758 62.464 63.200 0.037 0.000 0.967 393 S HN 0.362 nan 8.310 nan 0.000 0.488 394 L N 4.507 125.624 121.223 -0.177 0.000 3.289 394 L HA 0.338 4.677 4.340 -0.002 0.000 0.291 394 L C 1.758 178.415 176.870 -0.355 0.000 1.279 394 L CA -0.125 54.666 54.840 -0.081 0.000 1.025 394 L CB -0.075 42.084 42.059 0.167 0.000 1.413 394 L HN 0.788 nan 8.230 nan 0.000 0.593 395 A N 0.551 122.774 122.820 -0.995 0.000 1.883 395 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 395 A C 2.451 179.861 177.584 -0.290 0.000 1.186 395 A CA 2.004 53.318 52.037 -1.205 0.000 0.624 395 A CB -0.319 18.175 19.000 -0.843 0.000 0.822 395 A HN 0.434 nan 8.150 nan 0.000 0.444 396 A N -1.514 121.260 122.820 -0.076 0.000 1.902 396 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 396 A C 1.999 179.577 177.584 -0.010 0.000 1.181 396 A CA 1.704 53.751 52.037 0.016 0.000 0.623 396 A CB -1.014 18.061 19.000 0.124 0.000 0.818 396 A HN 0.925 nan 8.150 nan 0.000 0.443 397 W N 0.789 121.995 121.300 -0.158 0.000 2.335 397 W HA -0.206 4.453 4.660 -0.002 0.000 0.311 397 W C 2.613 179.126 176.519 -0.009 0.000 1.213 397 W CA 2.173 59.335 57.345 -0.305 0.000 1.274 397 W CB -0.520 28.979 29.460 0.065 0.000 1.148 397 W HN 0.267 nan 8.180 nan 0.000 0.498 398 S N -0.361 115.423 115.700 0.140 0.000 2.355 398 S HA -0.186 4.282 4.470 -0.002 0.000 0.222 398 S C 1.867 176.510 174.600 0.071 0.000 1.031 398 S CA 1.826 60.067 58.200 0.068 0.000 0.993 398 S CB -0.858 62.576 63.200 0.390 0.000 0.859 398 S HN 0.097 nan 8.310 nan 0.000 0.453 399 V N 1.813 121.812 119.914 0.143 0.000 2.332 399 V HA -0.180 3.939 4.120 -0.002 0.000 0.248 399 V C 2.504 178.753 176.094 0.257 0.000 1.055 399 V CA 2.188 64.662 62.300 0.290 0.000 1.038 399 V CB -0.638 31.198 31.823 0.023 0.000 0.651 399 V HN 0.530 nan 8.190 nan 0.000 0.450 400 M N 0.196 119.797 119.600 0.002 0.000 2.175 400 M HA -0.125 4.354 4.480 -0.002 0.000 0.264 400 M C 1.914 178.196 176.300 -0.031 0.000 1.063 400 M CA 1.835 57.121 55.300 -0.023 0.000 1.119 400 M CB -0.529 31.907 32.600 -0.273 0.000 1.377 400 M HN 0.307 nan 8.290 nan 0.000 0.415 401 E N -0.680 119.397 120.200 -0.204 0.000 2.077 401 E HA -0.121 4.227 4.350 -0.002 0.000 0.193 401 E C 1.832 178.219 176.600 -0.355 0.000 0.989 401 E CA 1.549 57.715 56.400 -0.389 0.000 0.800 401 E CB -0.418 28.765 29.700 -0.861 0.000 0.746 401 E HN 0.364 nan 8.360 nan 0.000 0.452 402 V N 0.363 120.128 119.914 -0.248 0.000 2.343 402 V HA -0.253 3.865 4.120 -0.002 0.000 0.247 402 V C 2.093 178.046 176.094 -0.235 0.000 1.051 402 V CA 2.055 64.142 62.300 -0.355 0.000 1.036 402 V CB -0.706 30.803 31.823 -0.522 0.000 0.654 402 V HN 0.415 nan 8.190 nan 0.000 0.451 403 Y N 1.737 121.998 120.300 -0.064 0.000 2.200 403 Y HA -0.193 4.355 4.550 -0.003 0.000 0.290 403 Y C 2.481 178.330 175.900 -0.084 0.000 1.137 403 Y CA 1.727 59.834 58.100 0.013 0.000 1.163 403 Y CB -0.413 38.120 38.460 0.122 0.000 0.988 403 Y HN 0.286 nan 8.280 nan 0.000 0.518 404 N N -0.043 118.559 118.700 -0.163 0.000 2.137 404 N HA -0.182 4.557 4.740 -0.002 0.000 0.190 404 N C 1.905 177.219 175.510 -0.326 0.000 1.017 404 N CA 1.839 54.745 53.050 -0.240 0.000 0.859 404 N CB -0.511 37.897 38.487 -0.131 0.000 1.002 404 N HN 0.342 nan 8.380 nan 0.000 0.428 405 V N 0.546 120.237 119.914 -0.372 0.000 2.379 405 V HA -0.111 4.008 4.120 -0.002 0.000 0.243 405 V C 2.439 178.336 176.094 -0.328 0.000 1.035 405 V CA 2.053 64.128 62.300 -0.376 0.000 1.035 405 V CB -0.741 30.778 31.823 -0.508 0.000 0.673 405 V HN 0.512 nan 8.190 nan 0.000 0.457 406 T N -3.263 111.083 114.554 -0.346 0.000 3.035 406 T HA -0.046 4.303 4.350 -0.002 0.000 0.259 406 T C 1.096 175.625 174.700 -0.286 0.000 1.078 406 T CA 0.561 62.491 62.100 -0.284 0.000 1.132 406 T CB -0.128 68.580 68.868 -0.267 0.000 0.900 406 T HN 0.489 nan 8.240 nan 0.000 0.480 407 Q N 0.871 120.370 119.800 -0.502 0.000 2.480 407 Q HA -0.176 4.163 4.340 -0.002 0.000 0.265 407 Q C -0.825 175.087 176.000 -0.146 0.000 1.072 407 Q CA 0.803 56.218 55.803 -0.646 0.000 1.018 407 Q CB -1.608 26.905 28.738 -0.376 0.000 1.433 407 Q HN 0.663 nan 8.270 nan 0.000 0.513 408 D N 0.449 120.875 120.400 0.044 0.000 2.441 408 D HA 0.133 4.772 4.640 -0.002 0.000 0.221 408 D C 0.758 177.285 176.300 0.379 0.000 1.156 408 D CA -0.036 54.075 54.000 0.184 0.000 0.896 408 D CB 0.691 41.555 40.800 0.106 0.000 1.028 408 D HN 0.094 nan 8.370 nan 0.000 0.509 409 K N 1.155 121.735 120.400 0.301 0.000 2.280 409 K HA -0.120 4.199 4.320 -0.002 0.000 0.202 409 K C 1.864 178.506 176.600 0.069 0.000 1.047 409 K CA 1.430 57.809 56.287 0.154 0.000 0.942 409 K CB 0.002 32.547 32.500 0.075 0.000 0.739 409 K HN 0.534 nan 8.250 nan 0.000 0.457 410 T N -1.292 113.325 114.554 0.106 0.000 2.962 410 T HA -0.179 4.169 4.350 -0.002 0.000 0.270 410 T C 1.553 176.321 174.700 0.114 0.000 1.088 410 T CA 0.327 62.472 62.100 0.076 0.000 1.127 410 T CB -0.340 68.575 68.868 0.079 0.000 0.883 410 T HN 0.511 nan 8.240 nan 0.000 0.493 411 W N 1.685 122.980 121.300 -0.008 0.000 2.407 411 W HA -0.102 4.556 4.660 -0.003 0.000 0.305 411 W C 1.617 178.103 176.519 -0.054 0.000 1.196 411 W CA 0.578 57.910 57.345 -0.021 0.000 1.311 411 W CB -0.254 29.210 29.460 0.007 0.000 1.135 411 W HN 0.141 nan 8.180 nan 0.000 0.514 412 V N 2.248 122.048 119.914 -0.190 0.000 2.343 412 V HA -0.299 3.820 4.120 -0.002 0.000 0.247 412 V C 2.804 178.710 176.094 -0.313 0.000 1.051 412 V CA 2.363 64.433 62.300 -0.383 0.000 1.036 412 V CB -1.654 29.931 31.823 -0.396 0.000 0.654 412 V HN 0.305 nan 8.190 nan 0.000 0.451 413 A N -0.611 122.086 122.820 -0.205 0.000 1.933 413 A HA -0.273 4.046 4.320 -0.002 0.000 0.218 413 A C 2.314 179.808 177.584 -0.149 0.000 1.175 413 A CA 1.996 53.943 52.037 -0.150 0.000 0.628 413 A CB -0.482 18.461 19.000 -0.096 0.000 0.814 413 A HN 0.619 nan 8.150 nan 0.000 0.444 414 E N -1.013 119.070 120.200 -0.194 0.000 2.047 414 E HA -0.169 4.180 4.350 -0.002 0.000 0.191 414 E C 1.822 178.213 176.600 -0.349 0.000 0.987 414 E CA 1.381 57.651 56.400 -0.216 0.000 0.799 414 E CB -0.116 29.483 29.700 -0.168 0.000 0.752 414 E HN 0.489 nan 8.360 nan 0.000 0.449 415 M N -0.450 118.814 119.600 -0.560 0.000 2.435 415 M HA -0.053 4.426 4.480 -0.002 0.000 0.265 415 M C 1.957 177.991 176.300 -0.444 0.000 1.104 415 M CA 0.638 55.550 55.300 -0.645 0.000 1.140 415 M CB -1.026 30.995 32.600 -0.965 0.000 1.372 415 M HN 0.171 nan 8.290 nan 0.000 0.456 416 Y N 3.444 123.490 120.300 -0.423 0.000 2.030 416 Y HA -0.220 4.328 4.550 -0.003 0.000 0.272 416 Y C -0.611 175.140 175.900 -0.247 0.000 1.185 416 Y CA 2.690 60.602 58.100 -0.312 0.000 1.120 416 Y CB -1.892 36.420 38.460 -0.246 0.000 0.955 416 Y HN 0.156 nan 8.280 nan 0.000 0.495 417 P HA -0.180 nan 4.420 nan 0.000 0.218 417 P C 0.883 178.028 177.300 -0.258 0.000 1.148 417 P CA 2.167 65.117 63.100 -0.249 0.000 0.822 417 P CB -0.080 31.557 31.700 -0.105 0.000 0.784 418 K N -0.350 119.849 120.400 -0.334 0.000 2.103 418 K HA -0.006 4.313 4.320 -0.002 0.000 0.204 418 K C 2.396 178.794 176.600 -0.337 0.000 1.052 418 K CA 0.929 56.980 56.287 -0.393 0.000 0.945 418 K CB -0.510 31.537 32.500 -0.754 0.000 0.722 418 K HN 0.162 nan 8.250 nan 0.000 0.443 419 L N 0.625 121.603 121.223 -0.407 0.000 2.056 419 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 419 L C 2.326 179.168 176.870 -0.048 0.000 1.078 419 L CA 0.815 55.553 54.840 -0.170 0.000 0.749 419 L CB -0.468 41.440 42.059 -0.251 0.000 0.901 419 L HN -0.025 nan 8.230 nan 0.000 0.433 420 V N 0.172 119.930 119.914 -0.260 0.000 2.343 420 V HA -0.290 3.828 4.120 -0.002 0.000 0.247 420 V C 2.778 178.923 176.094 0.086 0.000 1.051 420 V CA 1.815 63.999 62.300 -0.194 0.000 1.036 420 V CB -0.921 30.678 31.823 -0.373 0.000 0.654 420 V HN 0.478 nan 8.190 nan 0.000 0.451 421 A N -0.937 121.933 122.820 0.085 0.000 1.902 421 A HA -0.269 4.050 4.320 -0.002 0.000 0.217 421 A C 2.210 180.024 177.584 0.384 0.000 1.181 421 A CA 2.078 54.233 52.037 0.195 0.000 0.623 421 A CB -0.747 18.333 19.000 0.134 0.000 0.818 421 A HN 0.586 nan 8.150 nan 0.000 0.443 422 Y N 0.163 120.625 120.300 0.270 0.000 2.163 422 Y HA -0.214 4.336 4.550 -0.001 0.000 0.288 422 Y C 2.465 178.706 175.900 0.568 0.000 1.136 422 Y CA 1.764 60.096 58.100 0.387 0.000 1.147 422 Y CB -0.904 37.830 38.460 0.457 0.000 0.987 422 Y HN 0.639 nan 8.280 nan 0.000 0.509 423 H N 0.103 119.428 119.070 0.425 0.000 2.319 423 H HA -0.164 4.391 4.556 -0.002 0.000 0.297 423 H C 1.350 176.871 175.328 0.321 0.000 1.097 423 H CA 2.195 58.440 56.048 0.328 0.000 1.285 423 H CB -0.292 29.559 29.762 0.149 0.000 1.368 423 H HN 0.324 nan 8.280 nan 0.000 0.495 424 D N -0.254 120.450 120.400 0.507 0.000 2.178 424 D HA -0.138 4.501 4.640 -0.002 0.000 0.202 424 D C 2.075 178.517 176.300 0.236 0.000 0.974 424 D CA 0.826 55.033 54.000 0.346 0.000 0.841 424 D CB -0.855 40.116 40.800 0.286 0.000 0.953 424 D HN 0.522 nan 8.370 nan 0.000 0.478 425 W N 0.588 121.966 121.300 0.130 0.000 2.358 425 W HA -0.185 4.474 4.660 -0.001 0.000 0.303 425 W C 1.735 178.232 176.519 -0.037 0.000 1.208 425 W CA 1.197 58.566 57.345 0.040 0.000 1.274 425 W CB -0.702 28.792 29.460 0.057 0.000 1.138 425 W HN -0.023 nan 8.180 nan 0.000 0.515 426 W N 0.351 121.601 121.300 -0.083 0.000 2.338 426 W HA -0.174 4.485 4.660 -0.003 0.000 0.304 426 W C 2.337 178.611 176.519 -0.407 0.000 1.212 426 W CA 1.538 58.651 57.345 -0.386 0.000 1.264 426 W CB -1.004 28.321 29.460 -0.225 0.000 1.142 426 W HN -0.181 nan 8.180 nan 0.000 0.512 427 L N -0.249 120.938 121.223 -0.060 0.000 2.201 427 L HA -0.119 4.220 4.340 -0.002 0.000 0.212 427 L C 2.480 179.265 176.870 -0.143 0.000 1.105 427 L CA 1.198 55.975 54.840 -0.104 0.000 0.775 427 L CB -0.656 41.362 42.059 -0.070 0.000 0.913 427 L HN -0.001 nan 8.230 nan 0.000 0.440 428 R N -0.268 120.121 120.500 -0.185 0.000 2.090 428 R HA 0.013 4.352 4.340 -0.002 0.000 0.219 428 R C 1.315 177.447 176.300 -0.281 0.000 1.100 428 R CA 0.945 56.934 56.100 -0.185 0.000 0.991 428 R CB -0.055 30.172 30.300 -0.122 0.000 0.893 428 R HN 0.323 nan 8.270 nan 0.000 0.443 429 N N -0.304 118.085 118.700 -0.519 0.000 2.220 429 N HA 0.066 4.804 4.740 -0.002 0.000 0.195 429 N C 0.107 175.320 175.510 -0.495 0.000 1.123 429 N CA 0.271 52.984 53.050 -0.562 0.000 0.874 429 N CB 0.778 38.775 38.487 -0.817 0.000 0.995 429 N HN -0.110 nan 8.380 nan 0.000 0.498 430 R N 0.478 120.721 120.500 -0.427 0.000 2.734 430 R HA 0.220 4.558 4.340 -0.002 0.000 0.395 430 R C -0.944 175.294 176.300 -0.103 0.000 1.096 430 R CA -0.052 55.927 56.100 -0.200 0.000 1.071 430 R CB 0.124 30.383 30.300 -0.068 0.000 1.348 430 R HN -0.011 nan 8.270 nan 0.000 0.600 431 D N -0.577 119.754 120.400 -0.115 0.000 2.714 431 D HA 0.044 4.683 4.640 -0.002 0.000 0.264 431 D C 0.931 177.190 176.300 -0.067 0.000 1.231 431 D CA -0.296 53.650 54.000 -0.091 0.000 0.802 431 D CB 0.052 40.781 40.800 -0.119 0.000 1.319 431 D HN 0.157 nan 8.370 nan 0.000 0.528 432 H N 2.209 121.207 119.070 -0.120 0.000 2.292 432 H HA -0.197 4.358 4.556 -0.002 0.000 0.292 432 H C 1.301 176.577 175.328 -0.086 0.000 1.100 432 H CA 2.791 58.773 56.048 -0.110 0.000 1.238 432 H CB 0.372 30.072 29.762 -0.104 0.000 1.355 432 H HN 0.303 nan 8.280 nan 0.000 0.484 433 N N -0.021 118.610 118.700 -0.115 0.000 2.314 433 N HA 0.061 4.800 4.740 -0.002 0.000 0.200 433 N C 0.886 176.323 175.510 -0.122 0.000 1.135 433 N CA 0.720 53.682 53.050 -0.147 0.000 0.835 433 N CB -0.540 37.931 38.487 -0.027 0.000 0.989 433 N HN 0.550 nan 8.380 nan 0.000 0.478 434 G N 1.953 110.676 108.800 -0.127 0.000 2.395 434 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.300 434 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.300 434 G C 0.416 175.259 174.900 -0.095 0.000 0.998 434 G CA 0.644 45.678 45.100 -0.110 0.000 1.046 434 G HN 0.740 nan 8.290 nan 0.000 0.513 435 N N -0.558 118.076 118.700 -0.110 0.000 2.203 435 N HA 0.368 5.106 4.740 -0.002 0.000 0.207 435 N C 1.587 176.992 175.510 -0.175 0.000 1.130 435 N CA 0.494 53.473 53.050 -0.119 0.000 0.861 435 N CB 0.082 38.503 38.487 -0.109 0.000 1.005 435 N HN 1.479 nan 8.380 nan 0.000 0.507 436 G N -0.699 108.002 108.800 -0.164 0.000 2.159 436 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.256 436 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.256 436 G C -0.567 174.189 174.900 -0.239 0.000 0.977 436 G CA 0.384 45.383 45.100 -0.168 0.000 0.652 436 G HN 0.317 nan 8.290 nan 0.000 0.531 437 V N 1.731 121.455 119.914 -0.316 0.000 2.350 437 V HA 0.445 4.563 4.120 -0.002 0.000 0.285 437 V C -1.655 174.288 176.094 -0.252 0.000 1.014 437 V CA -1.705 60.375 62.300 -0.367 0.000 0.831 437 V CB 1.820 33.242 31.823 -0.668 0.000 1.000 437 V HN 0.073 nan 8.190 nan 0.000 0.433 438 P HA 0.264 nan 4.420 nan 0.000 0.271 438 P C -0.589 176.598 177.300 -0.189 0.000 1.238 438 P CA -0.105 62.882 63.100 -0.188 0.000 0.794 438 P CB 0.722 32.278 31.700 -0.240 0.000 0.959 439 E N -0.772 119.353 120.200 -0.125 0.000 2.369 439 E HA 0.452 4.800 4.350 -0.002 0.000 0.270 439 E C -1.109 175.464 176.600 -0.045 0.000 0.909 439 E CA -0.528 55.815 56.400 -0.095 0.000 0.775 439 E CB 0.627 30.325 29.700 -0.003 0.000 1.270 439 E HN 0.266 nan 8.360 nan 0.000 0.445 440 Y N 0.208 120.590 120.300 0.135 0.000 2.301 440 Y HA 0.667 5.215 4.550 -0.002 0.000 0.325 440 Y C 1.030 177.024 175.900 0.155 0.000 1.203 440 Y CA 0.458 58.658 58.100 0.167 0.000 1.255 440 Y CB 1.430 39.909 38.460 0.033 0.000 1.232 440 Y HN 0.613 nan 8.280 nan 0.000 0.501 441 G N -0.368 108.664 108.800 0.387 0.000 2.694 441 G HA2 0.734 4.693 3.960 -0.002 0.000 0.246 441 G HA3 0.734 4.693 3.960 -0.002 0.000 0.246 441 G C -1.855 173.243 174.900 0.330 0.000 1.205 441 G CA -0.212 45.066 45.100 0.296 0.000 0.891 441 G HN 0.826 nan 8.290 nan 0.000 0.515 442 A N -0.973 122.053 122.820 0.344 0.000 2.594 442 A HA 0.890 5.208 4.320 -0.002 0.000 0.291 442 A C 0.074 177.923 177.584 0.441 0.000 1.105 442 A CA 0.425 52.692 52.037 0.383 0.000 0.694 442 A CB 1.041 20.169 19.000 0.212 0.000 1.291 442 A HN 1.876 nan 8.150 nan 0.000 0.410 443 T N -1.212 113.587 114.554 0.410 0.000 2.862 443 T HA 0.572 4.921 4.350 -0.002 0.000 0.276 443 T C 0.341 175.266 174.700 0.374 0.000 0.974 443 T CA -0.594 61.653 62.100 0.245 0.000 0.966 443 T CB 0.660 69.501 68.868 -0.045 0.000 1.072 443 T HN 0.816 nan 8.240 nan 0.000 0.538 444 R N 0.962 121.568 120.500 0.176 0.000 2.316 444 R HA 0.367 4.705 4.340 -0.002 0.000 0.314 444 R C -1.067 175.299 176.300 0.110 0.000 1.069 444 R CA -0.171 56.048 56.100 0.197 0.000 0.959 444 R CB -0.125 30.209 30.300 0.057 0.000 0.987 444 R HN 0.863 nan 8.270 nan 0.000 0.446 445 D N 1.991 122.443 120.400 0.088 0.000 2.596 445 D HA 0.181 4.819 4.640 -0.002 0.000 0.234 445 D C 0.086 176.353 176.300 -0.054 0.000 1.181 445 D CA -0.713 53.223 54.000 -0.107 0.000 0.856 445 D CB 1.739 42.249 40.800 -0.483 0.000 1.498 445 D HN 0.408 nan 8.370 nan 0.000 0.446 446 K N 0.633 121.005 120.400 -0.046 0.000 2.209 446 K HA -0.013 4.306 4.320 -0.002 0.000 0.204 446 K C 1.365 177.966 176.600 0.001 0.000 1.048 446 K CA 1.090 57.376 56.287 -0.002 0.000 0.940 446 K CB 0.005 32.509 32.500 0.007 0.000 0.729 446 K HN 0.338 nan 8.250 nan 0.000 0.451 447 A N 0.284 123.070 122.820 -0.057 0.000 2.218 447 A HA -0.020 4.298 4.320 -0.002 0.000 0.209 447 A C 1.170 178.834 177.584 0.134 0.000 1.168 447 A CA 0.581 52.624 52.037 0.009 0.000 0.804 447 A CB -0.373 18.629 19.000 0.004 0.000 0.834 447 A HN 0.351 nan 8.150 nan 0.000 0.482 448 H N -0.990 118.090 119.070 0.016 0.000 2.729 448 H HA 0.115 4.670 4.556 -0.002 0.000 0.263 448 H C -0.193 175.147 175.328 0.021 0.000 0.961 448 H CA 0.209 56.240 56.048 -0.028 0.000 1.217 448 H CB 0.307 30.062 29.762 -0.011 0.000 1.447 448 H HN 0.727 nan 8.280 nan 0.000 0.496 449 N N -0.131 118.682 118.700 0.188 0.000 2.610 449 N HA 0.119 4.858 4.740 -0.002 0.000 0.264 449 N C -0.455 175.113 175.510 0.096 0.000 1.348 449 N CA -0.697 52.448 53.050 0.158 0.000 0.819 449 N CB 1.210 39.836 38.487 0.232 0.000 1.521 449 N HN -0.026 nan 8.380 nan 0.000 0.497 450 T N -2.422 112.178 114.554 0.077 0.000 2.698 450 T HA 0.177 4.525 4.350 -0.002 0.000 0.295 450 T C 0.822 175.552 174.700 0.050 0.000 1.007 450 T CA -0.194 61.936 62.100 0.049 0.000 0.980 450 T CB 0.374 69.263 68.868 0.036 0.000 1.036 450 T HN 0.588 nan 8.240 nan 0.000 0.526 451 E N 0.502 120.724 120.200 0.036 0.000 2.085 451 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 451 E C 2.476 179.097 176.600 0.035 0.000 0.994 451 E CA 1.560 57.979 56.400 0.032 0.000 0.801 451 E CB -0.287 29.428 29.700 0.024 0.000 0.743 451 E HN 0.812 nan 8.360 nan 0.000 0.453 452 S N -0.624 115.097 115.700 0.036 0.000 2.474 452 S HA 0.016 4.485 4.470 -0.002 0.000 0.235 452 S C 1.630 176.257 174.600 0.045 0.000 0.997 452 S CA 0.600 58.821 58.200 0.036 0.000 0.949 452 S CB 0.215 63.436 63.200 0.034 0.000 0.766 452 S HN 0.441 nan 8.310 nan 0.000 0.517 453 G N 0.580 109.416 108.800 0.061 0.000 2.138 453 G HA2 -0.169 3.789 3.960 -0.002 0.000 0.193 453 G HA3 -0.169 3.789 3.960 -0.002 0.000 0.193 453 G C -0.459 174.507 174.900 0.109 0.000 0.998 453 G CA -0.265 44.883 45.100 0.079 0.000 0.668 453 G HN 0.570 nan 8.290 nan 0.000 0.516 454 E N 0.314 120.577 120.200 0.106 0.000 2.229 454 E HA 0.425 4.773 4.350 -0.002 0.000 0.283 454 E C 0.786 177.485 176.600 0.165 0.000 1.030 454 E CA -0.580 55.896 56.400 0.128 0.000 0.836 454 E CB 1.087 30.843 29.700 0.093 0.000 1.068 454 E HN 0.417 nan 8.360 nan 0.000 0.401 455 M N 4.601 124.338 119.600 0.229 0.000 2.269 455 M HA 0.054 4.533 4.480 -0.002 0.000 0.350 455 M C -1.011 175.396 176.300 0.178 0.000 1.429 455 M CA 0.166 55.601 55.300 0.225 0.000 1.063 455 M CB 0.216 32.967 32.600 0.252 0.000 1.841 455 M HN 0.447 nan 8.290 nan 0.000 0.455 456 L N 6.904 128.181 121.223 0.090 0.000 2.375 456 L HA 0.593 4.932 4.340 -0.002 0.000 0.271 456 L C -0.650 176.271 176.870 0.085 0.000 1.107 456 L CA -0.475 54.377 54.840 0.019 0.000 0.806 456 L CB 0.716 42.771 42.059 -0.007 0.000 1.146 456 L HN 0.785 nan 8.230 nan 0.000 0.447 457 F N -0.764 119.140 119.950 -0.076 0.000 2.708 457 F HA 0.498 5.024 4.527 -0.002 0.000 0.309 457 F C -1.153 174.603 175.800 -0.074 0.000 1.120 457 F CA -0.818 57.118 58.000 -0.107 0.000 0.978 457 F CB 1.154 40.086 39.000 -0.113 0.000 1.283 457 F HN 0.177 nan 8.300 nan 0.000 0.439 458 T N 2.959 117.563 114.554 0.084 0.000 2.786 458 T HA 0.604 4.952 4.350 -0.002 0.000 0.283 458 T C -0.797 173.946 174.700 0.073 0.000 0.992 458 T CA -0.684 61.417 62.100 0.002 0.000 0.954 458 T CB 1.624 70.476 68.868 -0.028 0.000 0.934 458 T HN 0.612 nan 8.240 nan 0.000 0.440 459 V N 3.792 123.748 119.914 0.070 0.000 2.432 459 V HA 0.480 4.598 4.120 -0.002 0.000 0.275 459 V C 0.217 176.326 176.094 0.026 0.000 1.043 459 V CA -0.660 61.656 62.300 0.026 0.000 0.925 459 V CB 1.072 32.943 31.823 0.080 0.000 0.985 459 V HN 0.616 nan 8.190 nan 0.000 0.466 460 K N 4.288 124.704 120.400 0.028 0.000 2.274 460 K HA 0.638 4.956 4.320 -0.002 0.000 0.262 460 K C -0.864 175.809 176.600 0.122 0.000 0.961 460 K CA -0.651 55.675 56.287 0.065 0.000 0.833 460 K CB 1.218 33.749 32.500 0.052 0.000 1.102 460 K HN 0.566 nan 8.250 nan 0.000 0.436 461 K N 3.268 123.725 120.400 0.096 0.000 2.637 461 K HA 0.563 4.882 4.320 -0.002 0.000 0.248 461 K C 0.039 176.675 176.600 0.060 0.000 0.971 461 K CA 0.330 56.675 56.287 0.097 0.000 0.858 461 K CB 0.978 33.540 32.500 0.102 0.000 1.170 461 K HN 0.678 nan 8.250 nan 0.000 0.443 462 G N 3.445 112.275 108.800 0.051 0.000 2.591 462 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.298 462 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.298 462 G C -0.044 174.875 174.900 0.032 0.000 1.195 462 G CA 0.432 45.553 45.100 0.035 0.000 0.989 462 G HN 0.650 nan 8.290 nan 0.000 0.551 463 D N 1.707 122.122 120.400 0.025 0.000 2.368 463 D HA 0.184 4.823 4.640 -0.002 0.000 0.218 463 D C 0.453 176.766 176.300 0.021 0.000 1.112 463 D CA 0.269 54.281 54.000 0.021 0.000 0.834 463 D CB 0.340 41.149 40.800 0.016 0.000 0.953 463 D HN 0.205 nan 8.370 nan 0.000 0.505 464 K N 1.217 121.633 120.400 0.026 0.000 2.156 464 K HA 0.357 4.675 4.320 -0.002 0.000 0.271 464 K C 0.178 176.794 176.600 0.026 0.000 0.995 464 K CA -0.215 56.087 56.287 0.025 0.000 0.890 464 K CB 1.848 34.366 32.500 0.029 0.000 1.073 464 K HN 0.027 nan 8.250 nan 0.000 0.454 465 E N 2.026 122.235 120.200 0.016 0.000 2.267 465 E HA 0.109 4.458 4.350 -0.002 0.000 0.248 465 E C -0.972 175.626 176.600 -0.003 0.000 0.899 465 E CA -0.314 56.092 56.400 0.009 0.000 0.764 465 E CB 1.639 31.342 29.700 0.004 0.000 1.227 465 E HN 0.418 nan 8.360 nan 0.000 0.421 466 E N 2.882 123.081 120.200 -0.003 0.000 2.081 466 E HA 0.137 4.486 4.350 -0.002 0.000 0.276 466 E C -0.692 175.866 176.600 -0.070 0.000 0.950 466 E CA -0.491 55.896 56.400 -0.023 0.000 0.776 466 E CB 0.770 30.469 29.700 -0.001 0.000 1.094 466 E HN 0.379 nan 8.360 nan 0.000 0.402 467 T N 1.922 116.416 114.554 -0.102 0.000 2.771 467 T HA 0.371 4.720 4.350 -0.002 0.000 0.291 467 T C 0.049 174.583 174.700 -0.277 0.000 0.954 467 T CA -0.620 61.372 62.100 -0.180 0.000 1.045 467 T CB 1.469 70.262 68.868 -0.125 0.000 0.917 467 T HN 0.484 nan 8.240 nan 0.000 0.484 468 Q N 1.468 120.934 119.800 -0.557 0.000 3.022 468 Q HA 0.774 5.113 4.340 -0.002 0.000 0.313 468 Q C -0.799 174.755 176.000 -0.743 0.000 1.018 468 Q CA -1.258 54.163 55.803 -0.637 0.000 0.799 468 Q CB 2.260 30.567 28.738 -0.717 0.000 1.498 468 Q HN 0.934 nan 8.270 nan 0.000 0.494 469 S N -1.599 113.835 115.700 -0.443 0.000 2.596 469 S HA 0.866 5.334 4.470 -0.002 0.000 0.270 469 S C -0.632 174.041 174.600 0.123 0.000 1.155 469 S CA -0.279 57.841 58.200 -0.134 0.000 0.827 469 S CB 1.847 65.015 63.200 -0.054 0.000 1.130 469 S HN 1.276 nan 8.310 nan 0.000 0.467 470 G N 0.298 109.242 108.800 0.240 0.000 3.355 470 G HA2 0.105 4.064 3.960 -0.002 0.000 0.686 470 G HA3 0.105 4.064 3.960 -0.002 0.000 0.686 470 G C -0.149 174.960 174.900 0.348 0.000 1.097 470 G CA -0.243 45.009 45.100 0.253 0.000 0.881 470 G HN 1.489 nan 8.290 nan 0.000 0.550 471 L N 2.047 123.430 121.223 0.266 0.000 2.083 471 L HA -0.043 4.296 4.340 -0.002 0.000 0.209 471 L C 2.517 179.544 176.870 0.263 0.000 1.083 471 L CA 2.709 57.713 54.840 0.273 0.000 0.752 471 L CB -0.333 41.853 42.059 0.211 0.000 0.899 471 L HN 0.708 nan 8.230 nan 0.000 0.433 472 N N 0.104 118.919 118.700 0.192 0.000 2.043 472 N HA -0.201 4.537 4.740 -0.002 0.000 0.193 472 N C 1.524 177.113 175.510 0.132 0.000 1.037 472 N CA 1.731 54.862 53.050 0.135 0.000 0.851 472 N CB -0.726 37.825 38.487 0.108 0.000 1.027 472 N HN 0.471 nan 8.380 nan 0.000 0.422 473 N N 0.934 119.755 118.700 0.203 0.000 2.104 473 N HA -0.186 4.553 4.740 -0.002 0.000 0.190 473 N C 1.808 177.420 175.510 0.170 0.000 1.024 473 N CA 0.734 53.927 53.050 0.239 0.000 0.853 473 N CB -0.693 38.013 38.487 0.364 0.000 1.008 473 N HN 0.406 nan 8.380 nan 0.000 0.424 474 Y N 1.861 122.128 120.300 -0.056 0.000 2.081 474 Y HA -0.204 4.345 4.550 -0.002 0.000 0.280 474 Y C 2.372 178.113 175.900 -0.265 0.000 1.163 474 Y CA 1.826 59.571 58.100 -0.593 0.000 1.135 474 Y CB -0.770 37.339 38.460 -0.585 0.000 0.970 474 Y HN 0.073 nan 8.280 nan 0.000 0.498 475 A N 0.850 123.421 122.820 -0.415 0.000 1.917 475 A HA -0.265 4.053 4.320 -0.002 0.000 0.219 475 A C 2.461 179.876 177.584 -0.281 0.000 1.182 475 A CA 3.234 55.017 52.037 -0.423 0.000 0.633 475 A CB -1.489 17.439 19.000 -0.119 0.000 0.819 475 A HN 0.610 nan 8.150 nan 0.000 0.448 476 R N -0.765 119.653 120.500 -0.137 0.000 2.073 476 R HA -0.005 4.333 4.340 -0.002 0.000 0.234 476 R C 2.268 178.534 176.300 -0.057 0.000 1.134 476 R CA 1.824 57.888 56.100 -0.060 0.000 0.952 476 R CB -1.853 28.452 30.300 0.008 0.000 0.850 476 R HN 0.446 nan 8.270 nan 0.000 0.433 477 V N 0.809 120.680 119.914 -0.071 0.000 2.332 477 V HA -0.246 3.872 4.120 -0.002 0.000 0.248 477 V C 2.598 178.727 176.094 0.058 0.000 1.055 477 V CA 2.006 64.309 62.300 0.005 0.000 1.038 477 V CB -0.395 31.407 31.823 -0.035 0.000 0.651 477 V HN 0.433 nan 8.190 nan 0.000 0.450 478 V N -0.143 119.682 119.914 -0.149 0.000 2.358 478 V HA -0.278 3.840 4.120 -0.002 0.000 0.246 478 V C 2.394 178.470 176.094 -0.029 0.000 1.047 478 V CA 2.218 64.481 62.300 -0.063 0.000 1.035 478 V CB -0.579 31.038 31.823 -0.343 0.000 0.658 478 V HN 0.688 nan 8.190 nan 0.000 0.452 479 E N 0.773 120.927 120.200 -0.077 0.000 2.021 479 E HA -0.290 4.058 4.350 -0.002 0.000 0.200 479 E C 2.275 178.859 176.600 -0.027 0.000 1.015 479 E CA 1.838 58.209 56.400 -0.049 0.000 0.824 479 E CB -0.134 29.537 29.700 -0.048 0.000 0.762 479 E HN 0.566 nan 8.360 nan 0.000 0.454 480 K N -0.726 119.670 120.400 -0.006 0.000 2.152 480 K HA -0.096 4.223 4.320 -0.002 0.000 0.206 480 K C 1.419 177.993 176.600 -0.043 0.000 1.048 480 K CA 0.740 57.024 56.287 -0.005 0.000 0.933 480 K CB -0.336 32.179 32.500 0.025 0.000 0.721 480 K HN 0.456 nan 8.250 nan 0.000 0.447 481 G N 2.303 111.077 108.800 -0.043 0.000 2.296 481 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.282 481 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.282 481 G C -0.257 174.389 174.900 -0.425 0.000 1.014 481 G CA 0.452 45.365 45.100 -0.310 0.000 0.812 481 G HN 0.466 nan 8.290 nan 0.000 0.508 482 Q N -0.495 119.223 119.800 -0.137 0.000 3.150 482 Q HA 0.510 4.849 4.340 -0.002 0.000 0.297 482 Q C -0.111 175.919 176.000 0.051 0.000 1.382 482 Q CA -0.271 55.494 55.803 -0.064 0.000 1.059 482 Q CB -0.037 28.713 28.738 0.020 0.000 1.559 482 Q HN 0.856 nan 8.270 nan 0.000 0.548 483 Y N -3.303 117.005 120.300 0.013 0.000 2.677 483 Y HA 0.322 4.871 4.550 -0.002 0.000 0.334 483 Y C -0.451 175.459 175.900 0.016 0.000 1.196 483 Y CA -1.435 56.678 58.100 0.021 0.000 1.059 483 Y CB 0.640 39.119 38.460 0.031 0.000 1.315 483 Y HN -0.130 nan 8.280 nan 0.000 0.455 484 D N 0.910 121.468 120.400 0.264 0.000 2.197 484 D HA 0.083 4.721 4.640 -0.002 0.000 0.212 484 D C 0.091 176.557 176.300 0.277 0.000 0.963 484 D CA 1.702 55.802 54.000 0.166 0.000 0.864 484 D CB 0.327 41.189 40.800 0.105 0.000 1.009 484 D HN 0.537 nan 8.370 nan 0.000 0.479 485 S N -0.303 115.590 115.700 0.322 0.000 2.588 485 S HA 0.594 5.062 4.470 -0.002 0.000 0.275 485 S C -1.219 173.388 174.600 0.012 0.000 1.130 485 S CA -0.953 57.373 58.200 0.211 0.000 0.855 485 S CB 2.601 65.864 63.200 0.105 0.000 1.116 485 S HN 0.027 nan 8.310 nan 0.000 0.472 486 L N 1.293 122.451 121.223 -0.108 0.000 2.406 486 L HA 0.532 4.871 4.340 -0.002 0.000 0.270 486 L C -0.949 175.850 176.870 -0.119 0.000 0.982 486 L CA -0.169 54.516 54.840 -0.258 0.000 0.843 486 L CB 1.386 43.139 42.059 -0.511 0.000 1.225 486 L HN 0.868 nan 8.230 nan 0.000 0.412 487 E N 6.432 126.593 120.200 -0.066 0.000 2.130 487 E HA 0.408 4.757 4.350 -0.002 0.000 0.284 487 E C -0.869 175.679 176.600 -0.085 0.000 1.018 487 E CA -0.085 56.273 56.400 -0.070 0.000 0.817 487 E CB 1.379 31.055 29.700 -0.040 0.000 1.078 487 E HN 0.504 nan 8.360 nan 0.000 0.396 488 I N 5.283 125.731 120.570 -0.204 0.000 2.437 488 I HA 0.174 4.343 4.170 -0.002 0.000 0.279 488 I C -1.932 173.938 176.117 -0.412 0.000 1.028 488 I CA -2.261 58.857 61.300 -0.304 0.000 1.142 488 I CB 1.516 39.195 38.000 -0.535 0.000 1.266 488 I HN 0.233 nan 8.210 nan 0.000 0.461 489 P HA -0.306 nan 4.420 nan 0.000 0.217 489 P C 1.583 178.500 177.300 -0.639 0.000 1.158 489 P CA 1.789 64.703 63.100 -0.310 0.000 0.887 489 P CB 0.338 31.996 31.700 -0.071 0.000 0.792 490 A N -0.758 121.530 122.820 -0.886 0.000 1.933 490 A HA -0.268 4.051 4.320 -0.002 0.000 0.218 490 A C 2.347 179.400 177.584 -0.885 0.000 1.175 490 A CA 1.866 53.161 52.037 -1.237 0.000 0.628 490 A CB -1.358 16.955 19.000 -1.146 0.000 0.814 490 A HN 0.232 nan 8.150 nan 0.000 0.444 491 Q N -0.482 118.633 119.800 -1.142 0.000 2.230 491 Q HA -0.046 4.292 4.340 -0.002 0.000 0.202 491 Q C 1.761 177.401 176.000 -0.601 0.000 0.963 491 Q CA 1.233 56.368 55.803 -1.113 0.000 0.866 491 Q CB -0.095 27.868 28.738 -1.291 0.000 0.931 491 Q HN 0.407 nan 8.270 nan 0.000 0.452 492 V N 0.663 120.208 119.914 -0.615 0.000 2.358 492 V HA -0.231 3.887 4.120 -0.002 0.000 0.246 492 V C 2.298 177.792 176.094 -0.999 0.000 1.047 492 V CA 1.731 63.644 62.300 -0.646 0.000 1.035 492 V CB -0.925 30.512 31.823 -0.643 0.000 0.658 492 V HN 0.507 nan 8.190 nan 0.000 0.452 493 A N -0.020 122.243 122.820 -0.928 0.000 1.972 493 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 493 A C 2.391 179.859 177.584 -0.193 0.000 1.169 493 A CA 1.966 53.624 52.037 -0.632 0.000 0.635 493 A CB -0.646 18.242 19.000 -0.187 0.000 0.810 493 A HN 0.566 nan 8.150 nan 0.000 0.446 494 A N 0.356 123.062 122.820 -0.191 0.000 1.930 494 A HA -0.070 4.249 4.320 -0.002 0.000 0.217 494 A C 2.492 179.996 177.584 -0.132 0.000 1.175 494 A CA 2.159 54.188 52.037 -0.014 0.000 0.627 494 A CB -0.904 18.159 19.000 0.105 0.000 0.815 494 A HN 0.993 nan 8.150 nan 0.000 0.443 495 S N -1.610 113.965 115.700 -0.207 0.000 2.402 495 S HA -0.170 4.299 4.470 -0.002 0.000 0.229 495 S C 1.717 176.268 174.600 -0.083 0.000 1.021 495 S CA 1.079 59.151 58.200 -0.213 0.000 0.974 495 S CB -0.607 62.562 63.200 -0.052 0.000 0.800 495 S HN 0.651 nan 8.310 nan 0.000 0.484 496 W N 2.140 123.363 121.300 -0.129 0.000 2.381 496 W HA 0.209 4.868 4.660 -0.002 0.000 0.301 496 W C 2.522 178.978 176.519 -0.106 0.000 1.205 496 W CA 0.369 57.672 57.345 -0.070 0.000 1.285 496 W CB -1.174 28.312 29.460 0.045 0.000 1.133 496 W HN 0.528 nan 8.180 nan 0.000 0.521 497 E N 0.598 120.887 120.200 0.148 0.000 2.204 497 E HA -0.179 4.169 4.350 -0.002 0.000 0.195 497 E C 2.187 178.580 176.600 -0.345 0.000 0.990 497 E CA 1.775 58.225 56.400 0.084 0.000 0.821 497 E CB -0.036 29.829 29.700 0.275 0.000 0.750 497 E HN 0.134 nan 8.360 nan 0.000 0.477 498 S N -1.231 114.037 115.700 -0.721 0.000 2.453 498 S HA 0.058 4.527 4.470 -0.002 0.000 0.231 498 S C 1.761 175.846 174.600 -0.858 0.000 1.005 498 S CA 0.767 58.132 58.200 -1.391 0.000 0.949 498 S CB 0.102 62.456 63.200 -1.410 0.000 0.774 498 S HN 0.500 nan 8.310 nan 0.000 0.510 499 G N 1.513 109.979 108.800 -0.556 0.000 2.205 499 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.261 499 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.261 499 G C 0.352 174.864 174.900 -0.646 0.000 0.980 499 G CA 0.190 45.019 45.100 -0.452 0.000 0.632 499 G HN 0.602 nan 8.290 nan 0.000 0.533 500 R N 0.588 120.613 120.500 -0.792 0.000 2.674 500 R HA 0.312 4.651 4.340 -0.002 0.000 0.270 500 R C 0.757 176.717 176.300 -0.566 0.000 1.492 500 R CA 0.207 55.492 56.100 -1.358 0.000 1.624 500 R CB 0.288 30.001 30.300 -0.978 0.000 1.307 500 R HN 0.376 nan 8.270 nan 0.000 0.683 501 D N -0.702 119.480 120.400 -0.363 0.000 2.357 501 D HA -0.219 4.420 4.640 -0.002 0.000 0.216 501 D C 0.703 176.765 176.300 -0.398 0.000 0.973 501 D CA 1.127 55.013 54.000 -0.189 0.000 0.912 501 D CB 0.208 41.024 40.800 0.026 0.000 0.900 501 D HN 0.266 nan 8.370 nan 0.000 0.501 502 D N -0.874 119.443 120.400 -0.139 0.000 2.469 502 D HA 0.313 4.951 4.640 -0.002 0.000 0.215 502 D C -0.001 176.460 176.300 0.268 0.000 1.154 502 D CA -0.163 53.734 54.000 -0.173 0.000 0.832 502 D CB 0.284 41.146 40.800 0.103 0.000 1.008 502 D HN 0.277 nan 8.370 nan 0.000 0.506 503 A N 0.207 123.272 122.820 0.408 0.000 2.520 503 A HA 0.449 4.768 4.320 -0.002 0.000 0.235 503 A C 1.691 179.582 177.584 0.513 0.000 1.065 503 A CA 0.514 52.837 52.037 0.476 0.000 0.764 503 A CB 0.411 19.639 19.000 0.380 0.000 1.002 503 A HN 0.285 nan 8.150 nan 0.000 0.502 504 A N 2.108 125.174 122.820 0.410 0.000 1.902 504 A HA -0.052 4.266 4.320 -0.002 0.000 0.217 504 A C 2.102 179.874 177.584 0.314 0.000 1.181 504 A CA 1.857 54.167 52.037 0.456 0.000 0.623 504 A CB -0.998 18.273 19.000 0.451 0.000 0.818 504 A HN 1.580 nan 8.150 nan 0.000 0.443 505 V N -1.173 118.774 119.914 0.055 0.000 2.688 505 V HA -0.170 3.948 4.120 -0.002 0.000 0.256 505 V C 1.384 177.322 176.094 -0.260 0.000 1.084 505 V CA 1.645 63.822 62.300 -0.205 0.000 1.103 505 V CB -0.751 30.830 31.823 -0.402 0.000 0.688 505 V HN 0.495 nan 8.190 nan 0.000 0.480 506 F N 0.829 120.913 119.950 0.224 0.000 2.663 506 F HA 0.516 5.042 4.527 -0.002 0.000 0.299 506 F C 1.699 177.469 175.800 -0.050 0.000 1.143 506 F CA 0.175 58.279 58.000 0.173 0.000 1.387 506 F CB -0.183 39.015 39.000 0.331 0.000 1.019 506 F HN 0.251 nan 8.300 nan 0.000 0.523 507 G N -0.468 108.411 108.800 0.133 0.000 2.157 507 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.248 507 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.248 507 G C 0.049 174.916 174.900 -0.055 0.000 0.979 507 G CA -0.551 44.584 45.100 0.057 0.000 0.650 507 G HN 0.182 nan 8.290 nan 0.000 0.529 508 F N 0.507 120.646 119.950 0.314 0.000 2.411 508 F HA 0.770 5.296 4.527 -0.002 0.000 0.355 508 F C 0.624 176.469 175.800 0.075 0.000 1.117 508 F CA -0.800 57.310 58.000 0.184 0.000 1.139 508 F CB 1.278 40.393 39.000 0.193 0.000 1.120 508 F HN 0.147 nan 8.300 nan 0.000 0.493 509 I N 3.303 123.895 120.570 0.036 0.000 2.743 509 I HA 0.252 4.420 4.170 -0.002 0.000 0.292 509 I C -1.594 174.435 176.117 -0.146 0.000 1.343 509 I CA -0.835 60.337 61.300 -0.213 0.000 1.038 509 I CB 1.696 39.191 38.000 -0.842 0.000 1.311 509 I HN 0.617 nan 8.210 nan 0.000 0.426 510 D N 6.257 126.598 120.400 -0.099 0.000 2.354 510 D HA 0.260 4.898 4.640 -0.002 0.000 0.247 510 D C 0.714 176.959 176.300 -0.091 0.000 1.138 510 D CA -0.486 53.478 54.000 -0.060 0.000 0.958 510 D CB 1.031 41.815 40.800 -0.026 0.000 1.144 510 D HN 0.463 nan 8.370 nan 0.000 0.458 511 K N 0.114 120.481 120.400 -0.055 0.000 2.032 511 K HA -0.285 4.034 4.320 -0.002 0.000 0.218 511 K C 1.755 178.325 176.600 -0.049 0.000 1.054 511 K CA 2.074 58.331 56.287 -0.050 0.000 0.941 511 K CB -0.241 32.244 32.500 -0.025 0.000 0.720 511 K HN 0.446 nan 8.250 nan 0.000 0.449 512 E N 0.981 121.159 120.200 -0.036 0.000 2.049 512 E HA -0.215 4.133 4.350 -0.002 0.000 0.198 512 E C 2.132 178.715 176.600 -0.027 0.000 1.007 512 E CA 1.582 57.968 56.400 -0.023 0.000 0.809 512 E CB -0.167 29.524 29.700 -0.014 0.000 0.749 512 E HN 0.314 nan 8.360 nan 0.000 0.450 513 Q N -0.279 119.492 119.800 -0.049 0.000 2.096 513 Q HA -0.169 4.169 4.340 -0.002 0.000 0.204 513 Q C 2.228 178.177 176.000 -0.085 0.000 0.982 513 Q CA 1.179 56.947 55.803 -0.058 0.000 0.850 513 Q CB -0.250 28.428 28.738 -0.099 0.000 0.901 513 Q HN 0.187 nan 8.270 nan 0.000 0.422 514 L N 1.356 122.480 121.223 -0.165 0.000 2.056 514 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 514 L C 1.518 178.392 176.870 0.005 0.000 1.078 514 L CA 1.858 56.593 54.840 -0.176 0.000 0.749 514 L CB -0.459 41.450 42.059 -0.249 0.000 0.901 514 L HN 0.111 nan 8.230 nan 0.000 0.433 515 D N -0.343 120.054 120.400 -0.006 0.000 2.144 515 D HA -0.241 4.397 4.640 -0.002 0.000 0.199 515 D C 2.075 178.397 176.300 0.037 0.000 0.984 515 D CA 1.306 55.316 54.000 0.017 0.000 0.834 515 D CB -0.003 40.797 40.800 0.001 0.000 0.955 515 D HN 0.415 nan 8.370 nan 0.000 0.465 516 K N -0.284 120.142 120.400 0.044 0.000 2.097 516 K HA -0.183 4.136 4.320 -0.002 0.000 0.205 516 K C 2.246 178.899 176.600 0.089 0.000 1.050 516 K CA 0.626 56.946 56.287 0.054 0.000 0.938 516 K CB -0.167 32.366 32.500 0.055 0.000 0.718 516 K HN 0.065 nan 8.250 nan 0.000 0.442 517 Y N 1.152 121.455 120.300 0.005 0.000 2.128 517 Y HA -0.241 4.307 4.550 -0.002 0.000 0.284 517 Y C 1.808 177.746 175.900 0.064 0.000 1.154 517 Y CA 1.564 59.700 58.100 0.061 0.000 1.149 517 Y CB -0.326 38.185 38.460 0.086 0.000 0.976 517 Y HN -0.161 nan 8.280 nan 0.000 0.505 518 V N 0.419 120.375 119.914 0.070 0.000 2.407 518 V HA -0.309 3.809 4.120 -0.002 0.000 0.248 518 V C 2.647 178.702 176.094 -0.066 0.000 1.055 518 V CA 1.780 64.070 62.300 -0.016 0.000 1.049 518 V CB -1.561 30.295 31.823 0.054 0.000 0.662 518 V HN 0.569 nan 8.190 nan 0.000 0.455 519 A N 0.155 122.955 122.820 -0.034 0.000 2.015 519 A HA -0.155 4.163 4.320 -0.002 0.000 0.219 519 A C 1.897 179.446 177.584 -0.059 0.000 1.163 519 A CA 1.512 53.528 52.037 -0.035 0.000 0.646 519 A CB -0.500 18.492 19.000 -0.013 0.000 0.806 519 A HN 0.597 nan 8.150 nan 0.000 0.448 520 N N -0.845 117.800 118.700 -0.091 0.000 2.461 520 N HA 0.113 4.851 4.740 -0.002 0.000 0.188 520 N C 1.082 176.501 175.510 -0.152 0.000 1.134 520 N CA 1.083 54.070 53.050 -0.105 0.000 0.878 520 N CB 0.539 38.971 38.487 -0.091 0.000 0.972 520 N HN 0.647 nan 8.380 nan 0.000 0.456 521 G N -0.790 107.901 108.800 -0.181 0.000 2.192 521 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.193 521 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.193 521 G C 0.399 175.156 174.900 -0.239 0.000 0.999 521 G CA -0.182 44.816 45.100 -0.169 0.000 0.659 521 G HN 0.570 nan 8.290 nan 0.000 0.503 522 G N -0.335 108.190 108.800 -0.458 0.000 2.535 522 G HA2 0.629 4.587 3.960 -0.002 0.000 0.303 522 G HA3 0.629 4.587 3.960 -0.002 0.000 0.303 522 G C -0.299 174.537 174.900 -0.107 0.000 1.237 522 G CA -0.567 44.214 45.100 -0.531 0.000 0.986 522 G HN 0.350 nan 8.290 nan 0.000 0.494 523 K N -0.688 119.818 120.400 0.177 0.000 2.259 523 K HA 0.250 4.569 4.320 -0.002 0.000 0.252 523 K C 1.142 177.971 176.600 0.381 0.000 0.936 523 K CA -0.781 55.629 56.287 0.205 0.000 0.810 523 K CB 2.759 35.329 32.500 0.117 0.000 1.143 523 K HN 0.639 nan 8.250 nan 0.000 0.427 524 R N 0.228 120.885 120.500 0.262 0.000 2.193 524 R HA -0.117 4.221 4.340 -0.002 0.000 0.229 524 R C 1.363 177.809 176.300 0.244 0.000 1.110 524 R CA 1.975 58.232 56.100 0.261 0.000 0.988 524 R CB -0.307 30.060 30.300 0.112 0.000 0.871 524 R HN 0.564 nan 8.270 nan 0.000 0.458 525 S N 0.623 116.419 115.700 0.160 0.000 2.474 525 S HA -0.089 4.380 4.470 -0.002 0.000 0.235 525 S C 0.981 175.635 174.600 0.091 0.000 0.997 525 S CA 0.918 59.178 58.200 0.100 0.000 0.949 525 S CB -0.040 63.189 63.200 0.049 0.000 0.766 525 S HN 0.285 nan 8.310 nan 0.000 0.517 526 D N 0.608 121.085 120.400 0.128 0.000 2.310 526 D HA -0.032 4.607 4.640 -0.002 0.000 0.212 526 D C 0.360 176.477 176.300 -0.305 0.000 0.965 526 D CA 0.716 54.678 54.000 -0.063 0.000 0.879 526 D CB -0.237 40.549 40.800 -0.022 0.000 0.921 526 D HN 0.700 nan 8.370 nan 0.000 0.510 527 W N 0.640 121.898 121.300 -0.071 0.000 3.239 527 W HA 0.174 4.832 4.660 -0.003 0.000 0.348 527 W C 0.244 176.715 176.519 -0.080 0.000 1.183 527 W CA -0.236 57.044 57.345 -0.107 0.000 1.819 527 W CB -0.032 29.339 29.460 -0.149 0.000 1.091 527 W HN -0.349 nan 8.180 nan 0.000 0.629 528 T N 1.788 116.400 114.554 0.096 0.000 2.729 528 T HA 0.307 4.655 4.350 -0.002 0.000 0.296 528 T C 0.021 174.746 174.700 0.041 0.000 0.928 528 T CA -0.125 62.015 62.100 0.068 0.000 1.045 528 T CB 1.201 70.110 68.868 0.068 0.000 0.902 528 T HN -0.419 nan 8.240 nan 0.000 0.500 529 V N 5.981 125.921 119.914 0.043 0.000 2.348 529 V HA 0.236 4.354 4.120 -0.002 0.000 0.270 529 V C 0.704 176.872 176.094 0.124 0.000 1.037 529 V CA -0.782 61.562 62.300 0.073 0.000 0.872 529 V CB 0.541 32.418 31.823 0.089 0.000 1.002 529 V HN 0.746 nan 8.190 nan 0.000 0.464 530 K N 3.547 124.028 120.400 0.136 0.000 2.219 530 K HA 0.404 4.722 4.320 -0.002 0.000 0.258 530 K C -0.808 175.960 176.600 0.280 0.000 1.008 530 K CA -0.115 56.296 56.287 0.207 0.000 0.928 530 K CB 0.745 33.322 32.500 0.129 0.000 0.983 530 K HN 0.463 nan 8.250 nan 0.000 0.484 531 F N 0.078 120.099 119.950 0.119 0.000 2.577 531 F HA 0.586 5.112 4.527 -0.003 0.000 0.318 531 F C -0.830 174.933 175.800 -0.061 0.000 1.065 531 F CA -0.548 57.413 58.000 -0.064 0.000 0.929 531 F CB 1.836 40.655 39.000 -0.301 0.000 1.237 531 F HN 0.594 nan 8.300 nan 0.000 0.468 532 A N 3.136 125.583 122.820 -0.622 0.000 2.594 532 A HA 0.683 5.002 4.320 -0.002 0.000 0.291 532 A C -1.564 175.736 177.584 -0.473 0.000 1.105 532 A CA -0.826 50.924 52.037 -0.479 0.000 0.694 532 A CB 1.579 20.111 19.000 -0.781 0.000 1.291 532 A HN 0.736 nan 8.150 nan 0.000 0.410 533 E N 0.898 120.980 120.200 -0.196 0.000 2.212 533 E HA 0.581 4.930 4.350 -0.002 0.000 0.270 533 E C -1.227 175.311 176.600 -0.104 0.000 0.956 533 E CA -1.067 55.200 56.400 -0.223 0.000 0.825 533 E CB 1.285 30.865 29.700 -0.200 0.000 1.167 533 E HN 0.441 nan 8.360 nan 0.000 0.400 534 N N 2.054 120.635 118.700 -0.198 0.000 2.392 534 N HA 0.348 5.087 4.740 -0.002 0.000 0.283 534 N C -0.916 174.507 175.510 -0.144 0.000 1.003 534 N CA -0.563 52.432 53.050 -0.093 0.000 0.892 534 N CB 1.590 40.011 38.487 -0.111 0.000 1.193 534 N HN 0.394 nan 8.380 nan 0.000 0.487 535 R N -0.002 120.435 120.500 -0.106 0.000 2.807 535 R HA 0.474 4.813 4.340 -0.002 0.000 0.276 535 R C 0.219 176.467 176.300 -0.086 0.000 0.979 535 R CA -0.764 55.279 56.100 -0.096 0.000 0.928 535 R CB 1.679 31.936 30.300 -0.072 0.000 1.191 535 R HN 0.658 nan 8.270 nan 0.000 0.471 536 S N 0.429 116.086 115.700 -0.071 0.000 2.634 536 S HA -0.028 4.440 4.470 -0.002 0.000 0.261 536 S C 1.064 175.633 174.600 -0.051 0.000 1.271 536 S CA -0.492 57.672 58.200 -0.060 0.000 0.985 536 S CB 1.119 64.292 63.200 -0.044 0.000 0.968 536 S HN 0.696 nan 8.310 nan 0.000 0.568 537 Q N 0.882 120.656 119.800 -0.044 0.000 2.234 537 Q HA -0.171 4.168 4.340 -0.002 0.000 0.206 537 Q C 1.008 176.990 176.000 -0.029 0.000 0.980 537 Q CA 2.345 58.125 55.803 -0.038 0.000 0.869 537 Q CB -0.692 28.027 28.738 -0.032 0.000 0.912 537 Q HN 0.950 nan 8.270 nan 0.000 0.436 538 D N -2.653 117.732 120.400 -0.025 0.000 2.328 538 D HA 0.180 4.819 4.640 -0.002 0.000 0.221 538 D C 1.001 177.290 176.300 -0.019 0.000 1.072 538 D CA 0.596 54.584 54.000 -0.019 0.000 0.850 538 D CB -0.017 40.774 40.800 -0.014 0.000 0.922 538 D HN 0.310 nan 8.370 nan 0.000 0.516 539 G N -0.609 108.175 108.800 -0.026 0.000 2.176 539 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.253 539 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.253 539 G C 0.412 175.294 174.900 -0.029 0.000 0.979 539 G CA 0.235 45.320 45.100 -0.025 0.000 0.641 539 G HN 0.427 nan 8.290 nan 0.000 0.530 540 T N 1.506 116.042 114.554 -0.031 0.000 2.870 540 T HA 0.414 4.763 4.350 -0.002 0.000 0.300 540 T C 0.432 175.099 174.700 -0.056 0.000 0.989 540 T CA -0.009 62.071 62.100 -0.033 0.000 1.139 540 T CB 1.597 70.450 68.868 -0.024 0.000 0.920 540 T HN 0.613 nan 8.240 nan 0.000 0.537 541 L N 5.050 126.234 121.223 -0.064 0.000 2.418 541 L HA 0.240 4.578 4.340 -0.002 0.000 0.274 541 L C 0.542 177.342 176.870 -0.117 0.000 1.135 541 L CA 0.355 55.125 54.840 -0.116 0.000 0.870 541 L CB -0.136 41.853 42.059 -0.118 0.000 1.154 541 L HN 0.700 nan 8.230 nan 0.000 0.462 542 L N 4.814 125.945 121.223 -0.152 0.000 2.470 542 L HA 0.519 4.857 4.340 -0.002 0.000 0.219 542 L C 1.112 177.898 176.870 -0.140 0.000 1.071 542 L CA 0.443 55.211 54.840 -0.119 0.000 0.850 542 L CB -0.234 41.750 42.059 -0.125 0.000 1.040 542 L HN 0.878 nan 8.230 nan 0.000 0.475 543 G N -1.605 107.031 108.800 -0.273 0.000 2.404 543 G HA2 0.188 4.147 3.960 -0.002 0.000 0.253 543 G HA3 0.188 4.147 3.960 -0.002 0.000 0.253 543 G C -2.057 172.485 174.900 -0.597 0.000 1.253 543 G CA -0.664 44.268 45.100 -0.281 0.000 0.917 543 G HN -0.156 nan 8.290 nan 0.000 0.480 544 Y N -0.695 119.551 120.300 -0.090 0.000 2.609 544 Y HA 0.809 5.358 4.550 -0.003 0.000 0.342 544 Y C 0.256 175.949 175.900 -0.345 0.000 1.058 544 Y CA -0.764 57.149 58.100 -0.312 0.000 1.055 544 Y CB 2.526 40.765 38.460 -0.369 0.000 1.292 544 Y HN 0.612 nan 8.280 nan 0.000 0.476 545 S N 0.942 116.369 115.700 -0.456 0.000 2.541 545 S HA 0.569 5.037 4.470 -0.002 0.000 0.271 545 S C -1.263 173.093 174.600 -0.407 0.000 1.133 545 S CA -0.861 57.169 58.200 -0.285 0.000 0.876 545 S CB 1.270 64.372 63.200 -0.162 0.000 1.105 545 S HN 0.460 nan 8.310 nan 0.000 0.470 546 L N 2.202 123.413 121.223 -0.021 0.000 2.397 546 L HA 0.335 4.673 4.340 -0.002 0.000 0.271 546 L C 0.006 176.887 176.870 0.019 0.000 1.148 546 L CA -0.343 54.585 54.840 0.145 0.000 0.825 546 L CB 0.191 42.404 42.059 0.257 0.000 1.117 546 L HN 0.529 nan 8.230 nan 0.000 0.456 547 L N 4.241 125.478 121.223 0.022 0.000 2.437 547 L HA 0.207 4.545 4.340 -0.002 0.000 0.243 547 L C -0.026 176.878 176.870 0.058 0.000 1.346 547 L CA 0.421 55.259 54.840 -0.004 0.000 1.233 547 L CB -0.486 41.569 42.059 -0.006 0.000 1.436 547 L HN 0.637 nan 8.230 nan 0.000 0.416 548 Q N 1.041 120.889 119.800 0.079 0.000 2.443 548 Q HA 0.246 4.585 4.340 -0.002 0.000 0.258 548 Q C -1.437 174.624 176.000 0.101 0.000 0.967 548 Q CA -0.613 55.252 55.803 0.103 0.000 0.951 548 Q CB 1.887 30.716 28.738 0.152 0.000 1.459 548 Q HN 0.344 nan 8.270 nan 0.000 0.415 549 E N 1.579 121.826 120.200 0.079 0.000 2.134 549 E HA 0.388 4.736 4.350 -0.002 0.000 0.278 549 E C -1.010 175.617 176.600 0.046 0.000 0.959 549 E CA -0.490 55.932 56.400 0.038 0.000 0.783 549 E CB 1.868 31.594 29.700 0.044 0.000 1.095 549 E HN 0.387 nan 8.360 nan 0.000 0.399 550 S N 1.766 117.469 115.700 0.004 0.000 2.537 550 S HA 0.005 4.473 4.470 -0.002 0.000 0.275 550 S C 1.018 175.577 174.600 -0.069 0.000 1.272 550 S CA -0.567 57.651 58.200 0.031 0.000 1.050 550 S CB 1.705 65.023 63.200 0.197 0.000 0.961 550 S HN 0.486 nan 8.310 nan 0.000 0.496 551 V N 3.114 122.986 119.914 -0.071 0.000 2.515 551 V HA -0.143 3.976 4.120 -0.002 0.000 0.250 551 V C 2.005 177.925 176.094 -0.291 0.000 1.058 551 V CA 2.367 64.573 62.300 -0.157 0.000 1.064 551 V CB -0.524 31.209 31.823 -0.149 0.000 0.675 551 V HN 1.004 nan 8.190 nan 0.000 0.461 552 D N -0.576 119.656 120.400 -0.280 0.000 2.123 552 D HA -0.280 4.358 4.640 -0.002 0.000 0.200 552 D C 2.033 177.959 176.300 -0.623 0.000 0.976 552 D CA 1.678 55.367 54.000 -0.518 0.000 0.831 552 D CB -0.611 40.010 40.800 -0.298 0.000 0.974 552 D HN 0.553 nan 8.370 nan 0.000 0.469 553 Q N 1.473 121.117 119.800 -0.260 0.000 2.077 553 Q HA -0.133 4.205 4.340 -0.002 0.000 0.206 553 Q C 2.199 178.007 176.000 -0.320 0.000 0.989 553 Q CA 2.755 58.377 55.803 -0.302 0.000 0.853 553 Q CB -0.722 27.612 28.738 -0.673 0.000 0.907 553 Q HN 0.318 nan 8.270 nan 0.000 0.418 554 A N -0.483 122.164 122.820 -0.288 0.000 1.902 554 A HA -0.167 4.151 4.320 -0.002 0.000 0.217 554 A C 2.336 179.801 177.584 -0.198 0.000 1.181 554 A CA 1.859 53.765 52.037 -0.220 0.000 0.623 554 A CB -0.814 18.099 19.000 -0.145 0.000 0.818 554 A HN 0.465 nan 8.150 nan 0.000 0.443 555 S N -1.096 114.419 115.700 -0.307 0.000 2.383 555 S HA -0.122 4.346 4.470 -0.002 0.000 0.227 555 S C 1.796 176.299 174.600 -0.162 0.000 1.026 555 S CA 1.403 59.425 58.200 -0.297 0.000 0.981 555 S CB -0.533 62.386 63.200 -0.467 0.000 0.818 555 S HN 0.650 nan 8.310 nan 0.000 0.472 556 Y N 0.855 121.077 120.300 -0.130 0.000 2.293 556 Y HA 0.085 4.634 4.550 -0.002 0.000 0.291 556 Y C 2.435 178.256 175.900 -0.132 0.000 1.137 556 Y CA 0.165 58.191 58.100 -0.124 0.000 1.202 556 Y CB -0.578 37.788 38.460 -0.155 0.000 0.990 556 Y HN 0.195 nan 8.280 nan 0.000 0.537 557 M N -1.465 118.106 119.600 -0.049 0.000 2.175 557 M HA -0.237 4.242 4.480 -0.002 0.000 0.264 557 M C 2.104 178.397 176.300 -0.011 0.000 1.063 557 M CA 1.488 56.719 55.300 -0.114 0.000 1.119 557 M CB -1.145 31.335 32.600 -0.200 0.000 1.377 557 M HN 0.431 nan 8.290 nan 0.000 0.415 558 Y N 0.075 120.318 120.300 -0.094 0.000 2.181 558 Y HA -0.235 4.314 4.550 -0.002 0.000 0.288 558 Y C 2.748 178.619 175.900 -0.048 0.000 1.146 558 Y CA 2.293 60.348 58.100 -0.074 0.000 1.164 558 Y CB -0.498 37.887 38.460 -0.125 0.000 0.982 558 Y HN 0.268 nan 8.280 nan 0.000 0.515 559 S N -0.346 115.364 115.700 0.016 0.000 2.356 559 S HA -0.252 4.217 4.470 -0.002 0.000 0.223 559 S C 1.899 176.520 174.600 0.036 0.000 1.032 559 S CA 1.920 60.110 58.200 -0.017 0.000 1.005 559 S CB -0.815 62.490 63.200 0.175 0.000 0.867 559 S HN 0.726 nan 8.310 nan 0.000 0.449 560 D N 1.080 121.528 120.400 0.081 0.000 2.106 560 D HA -0.126 4.512 4.640 -0.002 0.000 0.191 560 D C 2.014 178.310 176.300 -0.007 0.000 0.997 560 D CA 1.612 55.666 54.000 0.090 0.000 0.834 560 D CB -0.391 40.447 40.800 0.063 0.000 0.956 560 D HN 0.396 nan 8.370 nan 0.000 0.448 561 N N -0.952 117.728 118.700 -0.032 0.000 2.120 561 N HA -0.197 4.542 4.740 -0.002 0.000 0.188 561 N C 1.744 177.163 175.510 -0.153 0.000 1.024 561 N CA 1.104 54.124 53.050 -0.050 0.000 0.852 561 N CB -0.498 38.016 38.487 0.044 0.000 1.003 561 N HN 0.434 nan 8.380 nan 0.000 0.424 562 H N 0.244 119.066 119.070 -0.413 0.000 2.290 562 H HA -0.118 4.437 4.556 -0.002 0.000 0.298 562 H C 1.483 176.600 175.328 -0.352 0.000 1.087 562 H CA 1.839 57.585 56.048 -0.503 0.000 1.291 562 H CB -0.356 28.919 29.762 -0.812 0.000 1.369 562 H HN 0.186 nan 8.280 nan 0.000 0.492 563 Y N -0.059 120.112 120.300 -0.216 0.000 2.314 563 Y HA -0.049 4.500 4.550 -0.002 0.000 0.293 563 Y C 2.621 178.390 175.900 -0.218 0.000 1.129 563 Y CA 0.794 58.764 58.100 -0.217 0.000 1.201 563 Y CB -0.435 38.010 38.460 -0.025 0.000 0.999 563 Y HN 0.197 nan 8.280 nan 0.000 0.541 564 L N -0.973 120.166 121.223 -0.140 0.000 2.083 564 L HA -0.216 4.123 4.340 -0.002 0.000 0.209 564 L C 2.595 179.368 176.870 -0.162 0.000 1.083 564 L CA 1.042 55.709 54.840 -0.288 0.000 0.752 564 L CB -0.674 40.849 42.059 -0.892 0.000 0.899 564 L HN 0.232 nan 8.230 nan 0.000 0.433 565 A N -0.141 122.604 122.820 -0.125 0.000 1.902 565 A HA -0.209 4.109 4.320 -0.002 0.000 0.217 565 A C 2.145 179.683 177.584 -0.078 0.000 1.181 565 A CA 1.525 53.563 52.037 0.003 0.000 0.623 565 A CB -0.367 18.625 19.000 -0.013 0.000 0.818 565 A HN 0.439 nan 8.150 nan 0.000 0.443 566 E N -0.660 119.445 120.200 -0.159 0.000 2.077 566 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 566 E C 2.090 178.599 176.600 -0.152 0.000 0.989 566 E CA 1.399 57.714 56.400 -0.142 0.000 0.800 566 E CB -0.276 29.344 29.700 -0.134 0.000 0.746 566 E HN 0.662 nan 8.360 nan 0.000 0.452 567 M N 0.450 119.954 119.600 -0.160 0.000 2.132 567 M HA -0.119 4.359 4.480 -0.002 0.000 0.263 567 M C 2.534 178.601 176.300 -0.389 0.000 1.065 567 M CA 1.282 56.425 55.300 -0.262 0.000 1.122 567 M CB -0.236 32.269 32.600 -0.158 0.000 1.365 567 M HN 0.115 nan 8.290 nan 0.000 0.411 568 A N 0.067 122.704 122.820 -0.304 0.000 1.883 568 A HA -0.180 4.138 4.320 -0.002 0.000 0.217 568 A C 2.189 179.627 177.584 -0.242 0.000 1.186 568 A CA 2.421 54.254 52.037 -0.341 0.000 0.624 568 A CB -1.263 17.746 19.000 0.014 0.000 0.822 568 A HN 0.461 nan 8.150 nan 0.000 0.444 569 T N 0.401 114.862 114.554 -0.155 0.000 2.746 569 T HA -0.099 4.250 4.350 -0.002 0.000 0.267 569 T C 1.779 176.393 174.700 -0.143 0.000 1.039 569 T CA 1.356 63.384 62.100 -0.119 0.000 1.142 569 T CB -0.283 68.536 68.868 -0.081 0.000 0.866 569 T HN 0.306 nan 8.240 nan 0.000 0.444 570 I N 1.161 121.616 120.570 -0.191 0.000 2.226 570 I HA -0.059 4.110 4.170 -0.002 0.000 0.245 570 I C 2.006 178.000 176.117 -0.205 0.000 1.100 570 I CA 1.389 62.569 61.300 -0.201 0.000 1.374 570 I CB -1.047 36.759 38.000 -0.323 0.000 1.057 570 I HN 0.300 nan 8.210 nan 0.000 0.413 571 L N 0.291 121.348 121.223 -0.277 0.000 2.591 571 L HA 0.168 4.507 4.340 -0.002 0.000 0.228 571 L C 1.161 177.918 176.870 -0.189 0.000 1.133 571 L CA 0.385 55.067 54.840 -0.263 0.000 0.880 571 L CB -0.585 41.227 42.059 -0.411 0.000 1.033 571 L HN 0.462 nan 8.230 nan 0.000 0.450 572 G N 1.451 110.158 108.800 -0.154 0.000 2.256 572 G HA2 -0.287 3.671 3.960 -0.002 0.000 0.272 572 G HA3 -0.287 3.671 3.960 -0.002 0.000 0.272 572 G C 0.101 174.942 174.900 -0.100 0.000 1.076 572 G CA -0.029 45.008 45.100 -0.105 0.000 0.882 572 G HN 0.463 nan 8.290 nan 0.000 0.497 573 K N 0.311 120.641 120.400 -0.117 0.000 2.877 573 K HA 0.259 4.578 4.320 -0.002 0.000 0.176 573 K C -1.221 175.349 176.600 -0.051 0.000 1.075 573 K CA -1.438 54.801 56.287 -0.081 0.000 0.939 573 K CB 2.007 34.447 32.500 -0.100 0.000 1.237 573 K HN 0.168 nan 8.250 nan 0.000 0.607 574 P HA -0.228 nan 4.420 nan 0.000 0.216 574 P C 0.592 177.876 177.300 -0.027 0.000 1.150 574 P CA 1.413 64.493 63.100 -0.033 0.000 0.843 574 P CB 0.470 32.151 31.700 -0.031 0.000 0.787 575 E N 0.457 120.639 120.200 -0.030 0.000 2.107 575 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 575 E C 2.088 178.654 176.600 -0.057 0.000 0.982 575 E CA 0.979 57.356 56.400 -0.039 0.000 0.809 575 E CB -0.474 29.204 29.700 -0.037 0.000 0.756 575 E HN 0.504 nan 8.360 nan 0.000 0.459 576 E N 0.752 120.933 120.200 -0.032 0.000 2.152 576 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 576 E C 2.008 178.612 176.600 0.007 0.000 0.983 576 E CA 0.763 57.137 56.400 -0.043 0.000 0.818 576 E CB -0.030 29.745 29.700 0.126 0.000 0.758 576 E HN 0.171 nan 8.360 nan 0.000 0.467 577 A N 1.925 124.779 122.820 0.056 0.000 1.877 577 A HA -0.222 4.096 4.320 -0.002 0.000 0.216 577 A C 1.956 179.560 177.584 0.033 0.000 1.186 577 A CA 1.413 53.498 52.037 0.080 0.000 0.620 577 A CB -0.262 18.747 19.000 0.015 0.000 0.822 577 A HN 0.041 nan 8.150 nan 0.000 0.443 578 K N -0.638 119.752 120.400 -0.016 0.000 2.097 578 K HA -0.113 4.205 4.320 -0.002 0.000 0.206 578 K C 2.324 178.889 176.600 -0.058 0.000 1.049 578 K CA 1.206 57.476 56.287 -0.028 0.000 0.933 578 K CB -0.205 32.275 32.500 -0.034 0.000 0.717 578 K HN 0.366 nan 8.250 nan 0.000 0.442 579 R N 0.112 120.529 120.500 -0.138 0.000 2.080 579 R HA -0.155 4.184 4.340 -0.002 0.000 0.236 579 R C 2.299 178.468 176.300 -0.219 0.000 1.137 579 R CA 1.749 57.707 56.100 -0.237 0.000 0.943 579 R CB -0.512 29.526 30.300 -0.437 0.000 0.846 579 R HN 0.263 nan 8.270 nan 0.000 0.431 580 Y N 0.408 120.686 120.300 -0.037 0.000 2.293 580 Y HA -0.117 4.432 4.550 -0.002 0.000 0.291 580 Y C 2.509 178.380 175.900 -0.048 0.000 1.137 580 Y CA 0.931 59.001 58.100 -0.050 0.000 1.202 580 Y CB -0.438 37.976 38.460 -0.075 0.000 0.990 580 Y HN 0.036 nan 8.280 nan 0.000 0.537 581 R N 0.389 120.940 120.500 0.085 0.000 2.081 581 R HA -0.257 4.082 4.340 -0.002 0.000 0.235 581 R C 2.313 178.634 176.300 0.036 0.000 1.131 581 R CA 1.890 58.016 56.100 0.042 0.000 0.960 581 R CB -0.202 30.114 30.300 0.027 0.000 0.856 581 R HN 0.439 nan 8.270 nan 0.000 0.436 582 Q N 0.380 120.192 119.800 0.020 0.000 2.079 582 Q HA -0.115 4.223 4.340 -0.002 0.000 0.200 582 Q C 2.080 178.103 176.000 0.039 0.000 0.974 582 Q CA 1.441 57.256 55.803 0.020 0.000 0.840 582 Q CB -0.104 28.631 28.738 -0.005 0.000 0.898 582 Q HN 0.395 nan 8.270 nan 0.000 0.430 583 L N 0.279 121.529 121.223 0.046 0.000 2.042 583 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 583 L C 2.588 179.508 176.870 0.083 0.000 1.076 583 L CA 1.065 55.951 54.840 0.076 0.000 0.749 583 L CB -0.727 41.422 42.059 0.149 0.000 0.893 583 L HN 0.384 nan 8.230 nan 0.000 0.432 584 A N -0.418 122.436 122.820 0.057 0.000 1.877 584 A HA -0.288 4.031 4.320 -0.002 0.000 0.216 584 A C 2.213 179.921 177.584 0.206 0.000 1.186 584 A CA 1.887 53.926 52.037 0.002 0.000 0.620 584 A CB -0.557 18.297 19.000 -0.243 0.000 0.822 584 A HN 0.392 nan 8.150 nan 0.000 0.443 585 Q N -0.010 119.879 119.800 0.147 0.000 2.084 585 Q HA -0.206 4.133 4.340 -0.002 0.000 0.202 585 Q C 2.115 178.190 176.000 0.124 0.000 0.978 585 Q CA 2.294 58.188 55.803 0.152 0.000 0.844 585 Q CB -0.456 28.336 28.738 0.090 0.000 0.898 585 Q HN 0.774 nan 8.270 nan 0.000 0.426 586 Q N -0.479 119.381 119.800 0.099 0.000 2.084 586 Q HA -0.133 4.206 4.340 -0.002 0.000 0.202 586 Q C 2.191 178.257 176.000 0.109 0.000 0.978 586 Q CA 1.435 57.289 55.803 0.086 0.000 0.844 586 Q CB -0.152 28.618 28.738 0.053 0.000 0.898 586 Q HN 0.385 nan 8.270 nan 0.000 0.426 587 L N 0.216 121.510 121.223 0.118 0.000 2.056 587 L HA -0.179 4.160 4.340 -0.002 0.000 0.207 587 L C 2.535 179.470 176.870 0.109 0.000 1.078 587 L CA 0.935 55.843 54.840 0.113 0.000 0.749 587 L CB -0.552 41.584 42.059 0.128 0.000 0.901 587 L HN 0.222 nan 8.230 nan 0.000 0.433 588 A N -0.093 122.791 122.820 0.106 0.000 1.883 588 A HA -0.255 4.064 4.320 -0.002 0.000 0.217 588 A C 1.922 179.494 177.584 -0.020 0.000 1.186 588 A CA 2.106 54.089 52.037 -0.090 0.000 0.624 588 A CB -0.590 18.335 19.000 -0.125 0.000 0.822 588 A HN 0.375 nan 8.150 nan 0.000 0.444 589 D N -1.823 118.603 120.400 0.044 0.000 2.144 589 D HA -0.155 4.484 4.640 -0.002 0.000 0.199 589 D C 1.676 178.017 176.300 0.068 0.000 0.984 589 D CA 1.477 55.503 54.000 0.043 0.000 0.834 589 D CB -0.429 40.405 40.800 0.055 0.000 0.955 589 D HN 0.632 nan 8.370 nan 0.000 0.465 590 Y N 0.797 121.091 120.300 -0.010 0.000 2.200 590 Y HA -0.175 4.373 4.550 -0.002 0.000 0.290 590 Y C 2.109 178.009 175.900 0.001 0.000 1.137 590 Y CA 1.005 59.101 58.100 -0.006 0.000 1.163 590 Y CB -0.124 38.328 38.460 -0.014 0.000 0.988 590 Y HN -0.167 nan 8.280 nan 0.000 0.518 591 I N 0.792 121.456 120.570 0.157 0.000 2.179 591 I HA -0.336 3.833 4.170 -0.002 0.000 0.242 591 I C 1.893 178.090 176.117 0.134 0.000 1.088 591 I CA 1.822 63.169 61.300 0.079 0.000 1.357 591 I CB -0.993 36.957 38.000 -0.083 0.000 1.051 591 I HN 0.257 nan 8.210 nan 0.000 0.409 592 N N -0.935 117.816 118.700 0.085 0.000 2.142 592 N HA -0.131 4.607 4.740 -0.002 0.000 0.186 592 N C 1.665 177.204 175.510 0.047 0.000 1.023 592 N CA 1.692 54.800 53.050 0.096 0.000 0.852 592 N CB -0.150 38.321 38.487 -0.028 0.000 0.998 592 N HN 0.285 nan 8.380 nan 0.000 0.424 593 T N -0.617 113.925 114.554 -0.021 0.000 2.851 593 T HA -0.015 4.333 4.350 -0.002 0.000 0.262 593 T C 1.966 176.606 174.700 -0.100 0.000 1.043 593 T CA 0.737 62.802 62.100 -0.059 0.000 1.140 593 T CB -0.168 68.644 68.868 -0.093 0.000 0.872 593 T HN 0.372 nan 8.240 nan 0.000 0.446 594 c N 0.669 119.138 118.600 -0.218 0.000 2.518 594 c HA 0.325 4.893 4.570 -0.002 0.000 0.283 594 c C 2.465 176.506 174.090 -0.082 0.000 1.351 594 c CA 0.024 56.188 56.329 -0.275 0.000 1.745 594 c CB -0.808 41.254 42.510 -0.747 0.000 2.107 594 c HN 0.509 nan 8.230 nan 0.000 0.502 595 M N -0.858 118.767 119.600 0.041 0.000 2.441 595 M HA 0.222 4.700 4.480 -0.002 0.000 0.244 595 M C 0.062 176.514 176.300 0.254 0.000 1.122 595 M CA 0.318 55.719 55.300 0.168 0.000 1.041 595 M CB 0.226 32.940 32.600 0.191 0.000 1.438 595 M HN 0.223 nan 8.290 nan 0.000 0.484 596 F N 1.935 121.879 119.950 -0.010 0.000 2.405 596 F HA 0.303 4.829 4.527 -0.002 0.000 0.355 596 F C -0.151 175.573 175.800 -0.127 0.000 1.121 596 F CA -1.360 56.456 58.000 -0.307 0.000 1.112 596 F CB 0.534 39.203 39.000 -0.552 0.000 1.126 596 F HN -0.106 nan 8.300 nan 0.000 0.481 597 D N 8.508 128.532 120.400 -0.627 0.000 2.347 597 D HA 0.313 4.952 4.640 -0.002 0.000 0.235 597 D C -2.021 173.926 176.300 -0.588 0.000 1.149 597 D CA -2.398 51.377 54.000 -0.375 0.000 0.850 597 D CB 1.746 42.490 40.800 -0.094 0.000 1.061 597 D HN 0.242 nan 8.370 nan 0.000 0.487 598 P HA -0.127 nan 4.420 nan 0.000 0.216 598 P C 1.021 178.269 177.300 -0.087 0.000 1.150 598 P CA 1.206 64.263 63.100 -0.072 0.000 0.837 598 P CB 0.285 31.998 31.700 0.021 0.000 0.786 599 T N -1.175 113.320 114.554 -0.098 0.000 2.698 599 T HA -0.101 4.248 4.350 -0.002 0.000 0.260 599 T C 1.714 176.381 174.700 -0.054 0.000 1.044 599 T CA 2.192 64.256 62.100 -0.061 0.000 1.149 599 T CB -1.252 67.582 68.868 -0.057 0.000 0.864 599 T HN 0.282 nan 8.240 nan 0.000 0.419 600 T N 0.033 114.554 114.554 -0.055 0.000 3.129 600 T HA 0.107 4.456 4.350 -0.002 0.000 0.251 600 T C 0.538 175.230 174.700 -0.013 0.000 1.117 600 T CA -0.032 62.071 62.100 0.005 0.000 1.034 600 T CB -0.525 68.410 68.868 0.111 0.000 0.968 600 T HN 0.511 nan 8.240 nan 0.000 0.526 601 Q N 0.199 119.896 119.800 -0.172 0.000 2.439 601 Q HA -0.163 4.176 4.340 -0.002 0.000 0.325 601 Q C -0.807 175.112 176.000 -0.135 0.000 1.372 601 Q CA 0.267 55.941 55.803 -0.216 0.000 0.909 601 Q CB -2.087 26.695 28.738 0.073 0.000 1.167 601 Q HN 0.674 nan 8.270 nan 0.000 0.418 602 F N -0.938 118.606 119.950 -0.677 0.000 2.686 602 F HA 0.517 5.042 4.527 -0.002 0.000 0.311 602 F C -1.122 174.256 175.800 -0.703 0.000 1.128 602 F CA -1.208 56.498 58.000 -0.490 0.000 0.946 602 F CB 1.218 39.998 39.000 -0.368 0.000 1.336 602 F HN -0.037 nan 8.300 nan 0.000 0.457 603 Y N 2.047 121.822 120.300 -0.876 0.000 2.352 603 Y HA 0.591 5.140 4.550 -0.002 0.000 0.326 603 Y C -0.964 174.523 175.900 -0.687 0.000 1.166 603 Y CA -0.251 57.516 58.100 -0.555 0.000 1.182 603 Y CB 1.112 39.308 38.460 -0.440 0.000 1.216 603 Y HN 0.388 nan 8.280 nan 0.000 0.474 604 Y N -0.593 119.755 120.300 0.080 0.000 2.655 604 Y HA 0.288 4.836 4.550 -0.002 0.000 0.336 604 Y C -0.512 175.387 175.900 -0.002 0.000 1.154 604 Y CA -1.608 56.511 58.100 0.031 0.000 1.055 604 Y CB 1.013 39.481 38.460 0.013 0.000 1.295 604 Y HN 0.447 nan 8.280 nan 0.000 0.465 605 D N 0.622 121.108 120.400 0.144 0.000 2.371 605 D HA 0.437 5.075 4.640 -0.002 0.000 0.242 605 D C -0.801 175.540 176.300 0.067 0.000 1.218 605 D CA 0.141 54.179 54.000 0.063 0.000 0.945 605 D CB 1.052 41.854 40.800 0.003 0.000 1.137 605 D HN 0.389 nan 8.370 nan 0.000 0.464 606 V N -1.941 118.010 119.914 0.061 0.000 2.823 606 V HA 0.613 4.732 4.120 -0.002 0.000 0.312 606 V C -0.162 175.960 176.094 0.045 0.000 1.072 606 V CA -1.104 61.222 62.300 0.044 0.000 0.937 606 V CB 1.905 33.764 31.823 0.060 0.000 1.013 606 V HN 0.348 nan 8.190 nan 0.000 0.430 607 R N 2.741 123.254 120.500 0.021 0.000 2.560 607 R HA 0.542 4.880 4.340 -0.002 0.000 0.270 607 R C -0.580 175.748 176.300 0.047 0.000 1.074 607 R CA -0.760 55.357 56.100 0.029 0.000 1.140 607 R CB 0.928 31.231 30.300 0.004 0.000 1.073 607 R HN 0.631 nan 8.270 nan 0.000 0.527 608 I N 3.093 123.694 120.570 0.053 0.000 2.276 608 I HA 0.111 4.280 4.170 -0.002 0.000 0.290 608 I C 0.481 176.628 176.117 0.051 0.000 1.109 608 I CA 0.112 61.451 61.300 0.064 0.000 1.229 608 I CB 0.164 38.209 38.000 0.075 0.000 1.452 608 I HN 0.539 nan 8.210 nan 0.000 0.497 609 E N 3.352 123.576 120.200 0.040 0.000 2.391 609 E HA -0.007 4.342 4.350 -0.002 0.000 0.255 609 E C 0.507 177.127 176.600 0.033 0.000 1.187 609 E CA -0.301 56.115 56.400 0.027 0.000 0.941 609 E CB 0.941 30.649 29.700 0.014 0.000 1.010 609 E HN 0.400 nan 8.360 nan 0.000 0.458 610 D N 0.432 120.847 120.400 0.025 0.000 2.172 610 D HA -0.167 4.472 4.640 -0.002 0.000 0.196 610 D C 0.144 176.459 176.300 0.025 0.000 0.999 610 D CA 1.648 55.663 54.000 0.026 0.000 0.856 610 D CB 0.021 40.831 40.800 0.016 0.000 0.934 610 D HN 0.279 nan 8.370 nan 0.000 0.453 611 K N -0.379 120.032 120.400 0.019 0.000 2.464 611 K HA 0.486 4.804 4.320 -0.002 0.000 0.253 611 K C -2.979 173.632 176.600 0.018 0.000 0.933 611 K CA -1.777 54.519 56.287 0.016 0.000 0.801 611 K CB 2.569 35.074 32.500 0.009 0.000 1.271 611 K HN -0.246 nan 8.250 nan 0.000 0.430 612 P HA 0.082 nan 4.420 nan 0.000 0.273 612 P C -0.357 176.951 177.300 0.013 0.000 1.250 612 P CA -0.490 62.626 63.100 0.027 0.000 0.793 612 P CB 0.678 32.399 31.700 0.036 0.000 1.011 613 L N 0.322 121.549 121.223 0.007 0.000 2.456 613 L HA 0.253 4.592 4.340 -0.002 0.000 0.257 613 L C 2.097 178.964 176.870 -0.005 0.000 1.162 613 L CA -0.580 54.256 54.840 -0.007 0.000 0.808 613 L CB 0.026 42.071 42.059 -0.022 0.000 1.136 613 L HN 0.405 nan 8.230 nan 0.000 0.466 614 A N 1.533 124.348 122.820 -0.009 0.000 1.978 614 A HA -0.194 4.124 4.320 -0.002 0.000 0.220 614 A C 1.575 179.154 177.584 -0.008 0.000 1.170 614 A CA 1.918 53.951 52.037 -0.007 0.000 0.636 614 A CB -0.804 18.191 19.000 -0.009 0.000 0.810 614 A HN 0.933 nan 8.150 nan 0.000 0.448 615 N N -1.022 117.668 118.700 -0.016 0.000 2.370 615 N HA 0.241 4.980 4.740 -0.002 0.000 0.198 615 N C 0.971 176.473 175.510 -0.013 0.000 1.156 615 N CA 1.087 54.125 53.050 -0.020 0.000 0.839 615 N CB -0.399 38.065 38.487 -0.039 0.000 0.989 615 N HN 0.779 nan 8.380 nan 0.000 0.468 616 G N -0.914 107.889 108.800 0.006 0.000 2.176 616 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.253 616 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.253 616 G C 0.054 175.001 174.900 0.079 0.000 0.979 616 G CA 0.207 45.334 45.100 0.045 0.000 0.641 616 G HN 0.509 nan 8.290 nan 0.000 0.530 617 c N 1.069 119.660 118.600 -0.015 0.000 2.644 617 c HA 0.609 5.178 4.570 -0.002 0.000 0.417 617 c C 2.345 176.471 174.090 0.061 0.000 1.304 617 c CA 0.396 56.684 56.329 -0.070 0.000 2.035 617 c CB 0.763 43.147 42.510 -0.211 0.000 2.673 617 c HN 0.908 nan 8.230 nan 0.000 0.602 618 A N 2.331 125.257 122.820 0.176 0.000 2.015 618 A HA 0.414 4.733 4.320 -0.002 0.000 0.219 618 A C 1.096 178.720 177.584 0.067 0.000 1.163 618 A CA 1.480 53.597 52.037 0.135 0.000 0.646 618 A CB -0.402 18.703 19.000 0.174 0.000 0.806 618 A HN 1.387 nan 8.150 nan 0.000 0.448 619 G N -1.619 107.204 108.800 0.038 0.000 2.441 619 G HA2 0.443 4.401 3.960 -0.002 0.000 0.294 619 G HA3 0.443 4.401 3.960 -0.002 0.000 0.294 619 G C -1.351 173.536 174.900 -0.020 0.000 1.393 619 G CA -0.917 44.187 45.100 0.007 0.000 0.796 619 G HN 0.172 nan 8.290 nan 0.000 0.494 620 K N 1.168 121.548 120.400 -0.034 0.000 2.154 620 K HA 0.421 4.740 4.320 -0.002 0.000 0.264 620 K C -2.254 174.311 176.600 -0.057 0.000 1.008 620 K CA -1.365 54.890 56.287 -0.053 0.000 0.937 620 K CB 1.223 33.685 32.500 -0.064 0.000 1.002 620 K HN 0.278 nan 8.250 nan 0.000 0.469 621 P HA 0.015 nan 4.420 nan 0.000 0.268 621 P C -0.251 176.946 177.300 -0.171 0.000 1.204 621 P CA 0.289 63.357 63.100 -0.053 0.000 0.768 621 P CB 0.311 32.013 31.700 0.004 0.000 0.842 622 I N 3.638 124.116 120.570 -0.155 0.000 2.397 622 I HA -0.058 4.110 4.170 -0.002 0.000 0.291 622 I C 2.003 177.852 176.117 -0.446 0.000 1.125 622 I CA -0.192 60.963 61.300 -0.243 0.000 1.961 622 I CB -0.298 37.594 38.000 -0.179 0.000 1.508 622 I HN 0.192 nan 8.210 nan 0.000 0.886 623 V N 1.275 120.800 119.914 -0.649 0.000 2.490 623 V HA -0.208 3.911 4.120 -0.002 0.000 0.250 623 V C 2.283 178.105 176.094 -0.453 0.000 1.061 623 V CA 1.639 63.370 62.300 -0.949 0.000 1.064 623 V CB -0.615 30.780 31.823 -0.713 0.000 0.670 623 V HN 0.764 nan 8.190 nan 0.000 0.461 624 E N 1.808 121.828 120.200 -0.299 0.000 2.265 624 E HA -0.268 4.080 4.350 -0.002 0.000 0.196 624 E C 1.999 178.472 176.600 -0.212 0.000 0.996 624 E CA 1.466 57.780 56.400 -0.143 0.000 0.832 624 E CB -0.525 29.137 29.700 -0.064 0.000 0.756 624 E HN 0.671 nan 8.360 nan 0.000 0.491 625 R N 0.954 121.195 120.500 -0.432 0.000 2.313 625 R HA 0.183 4.522 4.340 -0.002 0.000 0.199 625 R C 0.716 176.990 176.300 -0.044 0.000 0.958 625 R CA 0.446 56.188 56.100 -0.597 0.000 1.047 625 R CB 0.178 30.001 30.300 -0.795 0.000 0.955 625 R HN 0.320 nan 8.270 nan 0.000 0.481 626 G N 1.515 110.345 108.800 0.048 0.000 2.756 626 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.678 626 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.678 626 G C -1.042 174.056 174.900 0.329 0.000 1.349 626 G CA -0.899 44.313 45.100 0.187 0.000 0.847 626 G HN 0.150 nan 8.290 nan 0.000 0.548 627 K N 0.143 120.699 120.400 0.259 0.000 2.174 627 K HA 0.627 4.946 4.320 -0.002 0.000 0.275 627 K C 0.691 177.523 176.600 0.387 0.000 1.015 627 K CA 0.191 56.632 56.287 0.258 0.000 0.933 627 K CB 1.595 33.985 32.500 -0.184 0.000 1.025 627 K HN 1.060 nan 8.250 nan 0.000 0.463 628 G N 1.123 110.218 108.800 0.490 0.000 2.766 628 G HA2 0.297 4.256 3.960 -0.002 0.000 0.288 628 G HA3 0.297 4.256 3.960 -0.002 0.000 0.288 628 G C -2.322 172.571 174.900 -0.012 0.000 1.408 628 G CA -1.040 44.283 45.100 0.371 0.000 0.852 628 G HN 0.279 nan 8.290 nan 0.000 0.487 629 P HA -0.104 nan 4.420 nan 0.000 0.222 629 P C 1.317 177.873 177.300 -1.241 0.000 1.147 629 P CA 1.168 63.372 63.100 -1.492 0.000 0.790 629 P CB 0.227 31.569 31.700 -0.597 0.000 0.780 630 E N 0.554 120.431 120.200 -0.539 0.000 2.265 630 E HA -0.123 4.225 4.350 -0.002 0.000 0.196 630 E C 2.109 178.412 176.600 -0.495 0.000 0.996 630 E CA 1.516 57.669 56.400 -0.412 0.000 0.832 630 E CB -1.660 27.911 29.700 -0.215 0.000 0.756 630 E HN 0.214 nan 8.360 nan 0.000 0.491 631 G N 1.338 109.822 108.800 -0.527 0.000 2.448 631 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.219 631 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.219 631 G C 1.037 175.577 174.900 -0.600 0.000 1.127 631 G CA 0.740 45.380 45.100 -0.768 0.000 0.766 631 G HN 0.590 nan 8.290 nan 0.000 0.552 632 W N -0.538 120.556 121.300 -0.342 0.000 3.123 632 W HA 0.593 5.251 4.660 -0.003 0.000 0.383 632 W C 1.674 178.064 176.519 -0.215 0.000 1.102 632 W CA -0.385 56.805 57.345 -0.257 0.000 1.865 632 W CB -0.324 29.037 29.460 -0.166 0.000 1.111 632 W HN 0.004 nan 8.180 nan 0.000 0.621 633 S N 1.936 117.484 115.700 -0.253 0.000 2.383 633 S HA -0.055 4.414 4.470 -0.002 0.000 0.227 633 S C -0.481 173.951 174.600 -0.281 0.000 1.026 633 S CA 1.508 59.559 58.200 -0.249 0.000 0.981 633 S CB -0.941 61.977 63.200 -0.469 0.000 0.818 633 S HN 0.071 nan 8.310 nan 0.000 0.472 634 P HA 0.024 nan 4.420 nan 0.000 0.221 634 P C 1.008 178.128 177.300 -0.299 0.000 1.150 634 P CA 0.656 63.425 63.100 -0.551 0.000 0.800 634 P CB 0.054 31.095 31.700 -1.099 0.000 0.787 635 L N -2.175 118.963 121.223 -0.141 0.000 2.068 635 L HA -0.037 4.302 4.340 -0.002 0.000 0.204 635 L C 2.229 179.214 176.870 0.191 0.000 1.076 635 L CA 1.528 56.426 54.840 0.097 0.000 0.753 635 L CB -1.649 40.456 42.059 0.077 0.000 0.910 635 L HN -0.079 nan 8.230 nan 0.000 0.439 636 F N 0.937 120.892 119.950 0.009 0.000 2.095 636 F HA -0.237 4.288 4.527 -0.003 0.000 0.298 636 F C 2.216 177.990 175.800 -0.044 0.000 1.104 636 F CA 1.705 59.688 58.000 -0.029 0.000 1.232 636 F CB -0.477 38.481 39.000 -0.069 0.000 0.987 636 F HN 0.183 nan 8.300 nan 0.000 0.475 637 N N 0.204 118.644 118.700 -0.434 0.000 2.467 637 N HA 0.059 4.797 4.740 -0.002 0.000 0.184 637 N C 1.512 176.892 175.510 -0.215 0.000 1.106 637 N CA 1.033 53.817 53.050 -0.443 0.000 0.892 637 N CB -0.102 38.238 38.487 -0.244 0.000 0.969 637 N HN 0.529 nan 8.380 nan 0.000 0.454 638 G N 0.396 109.091 108.800 -0.176 0.000 2.143 638 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.248 638 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.248 638 G C 0.911 175.614 174.900 -0.327 0.000 0.991 638 G CA 0.452 45.476 45.100 -0.126 0.000 0.689 638 G HN 0.505 nan 8.290 nan 0.000 0.522 639 A N -0.617 121.836 122.820 -0.611 0.000 2.081 639 A HA 0.748 5.067 4.320 -0.002 0.000 0.214 639 A C 1.758 179.076 177.584 -0.444 0.000 1.158 639 A CA 1.738 53.206 52.037 -0.948 0.000 0.724 639 A CB -0.101 18.295 19.000 -1.008 0.000 0.826 639 A HN 2.089 nan 8.150 nan 0.000 0.463 640 A N 0.662 123.315 122.820 -0.279 0.000 2.407 640 A HA 0.493 4.812 4.320 -0.002 0.000 0.248 640 A C 0.886 178.380 177.584 -0.151 0.000 1.082 640 A CA 0.382 52.286 52.037 -0.223 0.000 0.785 640 A CB -0.301 18.495 19.000 -0.341 0.000 1.020 640 A HN 0.687 nan 8.150 nan 0.000 0.489 641 T N -0.305 114.143 114.554 -0.177 0.000 2.849 641 T HA 0.280 4.629 4.350 -0.002 0.000 0.284 641 T C 0.940 175.545 174.700 -0.159 0.000 1.004 641 T CA 0.150 62.178 62.100 -0.119 0.000 1.021 641 T CB 0.903 69.676 68.868 -0.158 0.000 1.013 641 T HN 0.632 nan 8.240 nan 0.000 0.527 642 Q N 1.320 121.111 119.800 -0.016 0.000 2.096 642 Q HA -0.055 4.284 4.340 -0.002 0.000 0.204 642 Q C 2.383 178.337 176.000 -0.077 0.000 0.982 642 Q CA 2.376 58.196 55.803 0.029 0.000 0.850 642 Q CB -1.140 27.656 28.738 0.096 0.000 0.901 642 Q HN 0.930 nan 8.270 nan 0.000 0.422 643 A N 0.399 123.156 122.820 -0.107 0.000 1.902 643 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 643 A C 1.887 179.336 177.584 -0.225 0.000 1.181 643 A CA 1.792 53.755 52.037 -0.124 0.000 0.623 643 A CB -0.769 18.156 19.000 -0.126 0.000 0.818 643 A HN 0.506 nan 8.150 nan 0.000 0.443 644 N N 0.356 118.804 118.700 -0.420 0.000 2.244 644 N HA -0.031 4.708 4.740 -0.002 0.000 0.183 644 N C 1.771 177.088 175.510 -0.323 0.000 1.016 644 N CA 1.408 54.045 53.050 -0.688 0.000 0.866 644 N CB -0.540 37.305 38.487 -1.070 0.000 0.980 644 N HN 0.483 nan 8.380 nan 0.000 0.430 645 A N 1.233 123.845 122.820 -0.347 0.000 1.898 645 A HA -0.117 4.202 4.320 -0.002 0.000 0.216 645 A C 1.739 179.237 177.584 -0.144 0.000 1.181 645 A CA 1.402 53.217 52.037 -0.371 0.000 0.620 645 A CB -0.391 18.042 19.000 -0.945 0.000 0.819 645 A HN 0.092 nan 8.150 nan 0.000 0.442 646 D N 0.421 120.797 120.400 -0.040 0.000 2.123 646 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 646 D C 2.221 178.515 176.300 -0.011 0.000 0.992 646 D CA 1.634 55.664 54.000 0.050 0.000 0.833 646 D CB -0.502 40.372 40.800 0.123 0.000 0.954 646 D HN 0.430 nan 8.370 nan 0.000 0.455 647 A N 0.714 123.549 122.820 0.026 0.000 1.877 647 A HA -0.153 4.166 4.320 -0.002 0.000 0.216 647 A C 2.596 180.267 177.584 0.144 0.000 1.186 647 A CA 1.440 53.544 52.037 0.111 0.000 0.620 647 A CB -0.828 18.319 19.000 0.244 0.000 0.822 647 A HN 0.156 nan 8.150 nan 0.000 0.443 648 V N -0.335 119.664 119.914 0.142 0.000 2.343 648 V HA -0.221 3.897 4.120 -0.002 0.000 0.247 648 V C 2.573 178.750 176.094 0.138 0.000 1.051 648 V CA 1.918 64.354 62.300 0.226 0.000 1.036 648 V CB -0.696 31.203 31.823 0.127 0.000 0.654 648 V HN 0.374 nan 8.190 nan 0.000 0.451 649 V N -0.200 119.667 119.914 -0.080 0.000 2.392 649 V HA -0.290 3.829 4.120 -0.002 0.000 0.249 649 V C 2.416 178.418 176.094 -0.153 0.000 1.059 649 V CA 1.972 64.122 62.300 -0.250 0.000 1.051 649 V CB -0.745 30.639 31.823 -0.730 0.000 0.658 649 V HN 0.561 nan 8.190 nan 0.000 0.455 650 K N -0.380 119.973 120.400 -0.079 0.000 2.097 650 K HA -0.111 4.208 4.320 -0.002 0.000 0.206 650 K C 2.048 178.676 176.600 0.047 0.000 1.049 650 K CA 1.286 57.564 56.287 -0.015 0.000 0.933 650 K CB -0.304 32.207 32.500 0.018 0.000 0.717 650 K HN 0.360 nan 8.250 nan 0.000 0.442 651 V N 1.525 121.509 119.914 0.117 0.000 2.379 651 V HA -0.221 3.898 4.120 -0.002 0.000 0.245 651 V C 2.206 178.445 176.094 0.241 0.000 1.044 651 V CA 1.558 63.951 62.300 0.154 0.000 1.036 651 V CB -0.360 31.577 31.823 0.191 0.000 0.664 651 V HN 0.323 nan 8.190 nan 0.000 0.453 652 M N -0.541 119.202 119.600 0.239 0.000 2.117 652 M HA -0.141 4.338 4.480 -0.002 0.000 0.262 652 M C 1.907 178.273 176.300 0.109 0.000 1.065 652 M CA 1.877 57.281 55.300 0.174 0.000 1.114 652 M CB -0.373 32.163 32.600 -0.107 0.000 1.361 652 M HN 0.247 nan 8.290 nan 0.000 0.408 653 L N -0.605 120.641 121.223 0.037 0.000 2.599 653 L HA 0.014 4.353 4.340 -0.002 0.000 0.230 653 L C 0.597 177.499 176.870 0.053 0.000 1.141 653 L CA -0.221 54.635 54.840 0.026 0.000 0.877 653 L CB -0.509 41.541 42.059 -0.015 0.000 1.009 653 L HN 0.140 nan 8.230 nan 0.000 0.447 654 D N 1.153 121.594 120.400 0.069 0.000 2.339 654 D HA 0.080 4.718 4.640 -0.002 0.000 0.256 654 D C -1.669 174.656 176.300 0.042 0.000 1.214 654 D CA -1.880 52.146 54.000 0.044 0.000 0.877 654 D CB 1.796 42.611 40.800 0.024 0.000 1.111 654 D HN -0.090 nan 8.370 nan 0.000 0.478 655 P HA -0.093 nan 4.420 nan 0.000 0.223 655 P C 0.581 177.877 177.300 -0.007 0.000 1.144 655 P CA 1.133 64.255 63.100 0.036 0.000 0.783 655 P CB 0.289 32.012 31.700 0.039 0.000 0.771 656 K N -1.259 119.121 120.400 -0.035 0.000 2.426 656 K HA 0.029 4.348 4.320 -0.002 0.000 0.193 656 K C 1.381 177.887 176.600 -0.157 0.000 1.028 656 K CA 0.580 56.817 56.287 -0.083 0.000 1.047 656 K CB 0.232 32.692 32.500 -0.066 0.000 0.821 656 K HN 0.179 nan 8.250 nan 0.000 0.513 657 E N -0.548 119.559 120.200 -0.156 0.000 2.625 657 E HA 0.131 4.479 4.350 -0.002 0.000 0.185 657 E C 0.967 177.311 176.600 -0.426 0.000 1.085 657 E CA 0.654 56.852 56.400 -0.337 0.000 1.137 657 E CB 0.033 29.584 29.700 -0.247 0.000 1.687 657 E HN 0.101 nan 8.360 nan 0.000 0.512 658 F N 0.516 120.499 119.950 0.054 0.000 2.784 658 F HA 0.251 4.776 4.527 -0.002 0.000 0.323 658 F C 1.039 176.913 175.800 0.123 0.000 1.085 658 F CA -0.371 57.712 58.000 0.139 0.000 1.196 658 F CB 0.459 39.596 39.000 0.227 0.000 1.053 658 F HN -0.092 nan 8.300 nan 0.000 0.578 659 N N 1.769 120.607 118.700 0.230 0.000 3.254 659 N HA 0.036 4.775 4.740 -0.002 0.000 0.308 659 N C 0.040 175.650 175.510 0.165 0.000 1.281 659 N CA 0.189 53.344 53.050 0.176 0.000 1.212 659 N CB -0.250 38.307 38.487 0.117 0.000 1.478 659 N HN 0.189 nan 8.380 nan 0.000 0.548 660 T N -2.462 112.217 114.554 0.207 0.000 2.849 660 T HA 0.166 4.515 4.350 -0.002 0.000 0.276 660 T C 1.437 176.293 174.700 0.260 0.000 0.971 660 T CA -0.708 61.521 62.100 0.215 0.000 0.949 660 T CB 0.371 69.377 68.868 0.230 0.000 1.093 660 T HN 0.130 nan 8.240 nan 0.000 0.545 661 F N 1.152 121.169 119.950 0.112 0.000 2.063 661 F HA -0.085 4.441 4.527 -0.002 0.000 0.297 661 F C 0.748 176.670 175.800 0.203 0.000 1.099 661 F CA 1.563 59.623 58.000 0.100 0.000 1.220 661 F CB -0.283 38.692 39.000 -0.043 0.000 0.972 661 F HN 0.279 nan 8.300 nan 0.000 0.487 662 V N 2.321 122.347 119.914 0.187 0.000 2.326 662 V HA 0.297 4.416 4.120 -0.002 0.000 0.281 662 V C -2.212 174.005 176.094 0.205 0.000 1.015 662 V CA -1.904 60.425 62.300 0.049 0.000 0.823 662 V CB 1.053 32.859 31.823 -0.028 0.000 1.009 662 V HN -0.059 nan 8.190 nan 0.000 0.436 663 P HA 0.241 nan 4.420 nan 0.000 0.271 663 P C 0.193 177.784 177.300 0.484 0.000 1.233 663 P CA -0.129 63.186 63.100 0.359 0.000 0.789 663 P CB 0.306 32.216 31.700 0.351 0.000 0.951 664 L N -1.925 119.571 121.223 0.456 0.000 3.632 664 L HA -0.200 4.138 4.340 -0.002 0.000 0.510 664 L C 0.889 178.196 176.870 0.729 0.000 1.299 664 L CA 0.182 55.309 54.840 0.479 0.000 0.829 664 L CB -2.394 39.721 42.059 0.094 0.000 1.559 664 L HN 0.570 nan 8.230 nan 0.000 0.857 665 G N -0.358 108.904 108.800 0.768 0.000 2.621 665 G HA2 0.288 4.246 3.960 -0.002 0.000 0.271 665 G HA3 0.288 4.246 3.960 -0.002 0.000 0.271 665 G C 0.925 176.271 174.900 0.743 0.000 1.236 665 G CA 0.357 45.870 45.100 0.689 0.000 0.958 665 G HN 0.346 nan 8.290 nan 0.000 0.512 666 T N -1.409 113.519 114.554 0.624 0.000 3.160 666 T HA 0.438 4.787 4.350 -0.002 0.000 0.257 666 T C 0.498 175.528 174.700 0.551 0.000 1.147 666 T CA 1.139 63.584 62.100 0.574 0.000 1.064 666 T CB -0.711 68.511 68.868 0.589 0.000 0.949 666 T HN 1.228 nan 8.240 nan 0.000 0.526 667 A N 0.078 123.275 122.820 0.628 0.000 2.555 667 A HA 0.747 5.065 4.320 -0.002 0.000 0.297 667 A C -0.232 177.583 177.584 0.385 0.000 1.060 667 A CA -0.440 51.920 52.037 0.538 0.000 0.710 667 A CB 0.614 19.915 19.000 0.503 0.000 1.282 667 A HN 0.485 nan 8.150 nan 0.000 0.399 668 A N 1.132 123.899 122.820 -0.089 0.000 2.406 668 A HA 0.519 4.838 4.320 -0.002 0.000 0.243 668 A C 1.102 178.403 177.584 -0.471 0.000 1.082 668 A CA -0.076 51.524 52.037 -0.728 0.000 0.786 668 A CB -0.151 18.247 19.000 -1.004 0.000 1.029 668 A HN 1.238 nan 8.150 nan 0.000 0.495 669 L N 0.923 121.742 121.223 -0.673 0.000 2.261 669 L HA -0.167 4.172 4.340 -0.002 0.000 0.216 669 L C 2.557 179.125 176.870 -0.503 0.000 1.114 669 L CA 1.844 56.126 54.840 -0.930 0.000 0.777 669 L CB -0.672 41.014 42.059 -0.621 0.000 0.910 669 L HN 0.994 nan 8.230 nan 0.000 0.440 670 T N -4.287 110.076 114.554 -0.318 0.000 3.100 670 T HA -0.033 4.315 4.350 -0.002 0.000 0.253 670 T C 1.005 175.691 174.700 -0.023 0.000 1.118 670 T CA -0.281 61.730 62.100 -0.147 0.000 1.058 670 T CB -0.376 68.407 68.868 -0.142 0.000 0.953 670 T HN 0.142 nan 8.240 nan 0.000 0.515 671 N N 3.291 121.997 118.700 0.010 0.000 2.447 671 N HA 0.059 4.798 4.740 -0.002 0.000 0.263 671 N C -1.405 174.249 175.510 0.240 0.000 1.226 671 N CA -1.455 51.696 53.050 0.168 0.000 0.906 671 N CB 1.600 40.232 38.487 0.241 0.000 1.060 671 N HN 0.104 nan 8.380 nan 0.000 0.468 672 P HA -0.073 nan 4.420 nan 0.000 0.228 672 P C 0.162 177.561 177.300 0.166 0.000 1.151 672 P CA 0.873 64.136 63.100 0.272 0.000 0.770 672 P CB 0.264 32.222 31.700 0.430 0.000 0.786 673 A N -1.328 121.616 122.820 0.206 0.000 2.503 673 A HA 0.244 4.562 4.320 -0.002 0.000 0.263 673 A C 0.370 178.062 177.584 0.181 0.000 1.258 673 A CA -0.657 51.440 52.037 0.100 0.000 0.936 673 A CB -0.964 18.087 19.000 0.086 0.000 1.070 673 A HN 0.108 nan 8.150 nan 0.000 0.522 674 F N 1.108 121.122 119.950 0.106 0.000 2.563 674 F HA 0.425 4.951 4.527 -0.002 0.000 0.363 674 F C 0.595 176.448 175.800 0.088 0.000 1.123 674 F CA 0.778 58.843 58.000 0.108 0.000 1.307 674 F CB 0.601 39.651 39.000 0.082 0.000 1.115 674 F HN 0.120 nan 8.300 nan 0.000 0.592 675 G N 4.280 112.470 108.800 -1.016 0.000 2.608 675 G HA2 0.494 4.452 3.960 -0.002 0.000 0.285 675 G HA3 0.494 4.452 3.960 -0.002 0.000 0.285 675 G C -0.037 174.307 174.900 -0.926 0.000 1.407 675 G CA -0.231 44.424 45.100 -0.742 0.000 1.276 675 G HN 1.072 nan 8.290 nan 0.000 0.587 676 A N 1.502 123.858 122.820 -0.774 0.000 2.076 676 A HA -0.001 4.318 4.320 -0.002 0.000 0.220 676 A C 1.483 178.974 177.584 -0.154 0.000 1.160 676 A CA 1.837 53.680 52.037 -0.323 0.000 0.653 676 A CB 0.053 19.045 19.000 -0.013 0.000 0.801 676 A HN 0.498 nan 8.150 nan 0.000 0.455 677 D N -0.985 119.327 120.400 -0.146 0.000 2.398 677 D HA 0.226 4.864 4.640 -0.002 0.000 0.210 677 D C -0.038 176.256 176.300 -0.010 0.000 1.094 677 D CA -0.050 53.909 54.000 -0.067 0.000 0.839 677 D CB 0.264 41.033 40.800 -0.051 0.000 0.963 677 D HN 0.406 nan 8.370 nan 0.000 0.506 678 I N 1.725 122.274 120.570 -0.034 0.000 2.396 678 I HA -0.029 4.140 4.170 -0.002 0.000 0.289 678 I C 1.451 177.669 176.117 0.168 0.000 1.056 678 I CA -0.578 60.764 61.300 0.071 0.000 1.365 678 I CB 0.713 38.732 38.000 0.032 0.000 1.407 678 I HN -0.139 nan 8.210 nan 0.000 0.509 679 Y N 5.265 125.555 120.300 -0.016 0.000 2.030 679 Y HA -0.255 4.294 4.550 -0.003 0.000 0.272 679 Y C 1.426 177.262 175.900 -0.106 0.000 1.185 679 Y CA 2.180 60.236 58.100 -0.073 0.000 1.120 679 Y CB -0.307 38.109 38.460 -0.074 0.000 0.955 679 Y HN 0.600 nan 8.280 nan 0.000 0.495 680 W N -1.216 120.355 121.300 0.452 0.000 2.966 680 W HA 0.336 4.994 4.660 -0.003 0.000 0.406 680 W C 0.696 177.388 176.519 0.288 0.000 1.027 680 W CA -0.123 57.423 57.345 0.335 0.000 1.930 680 W CB 0.390 29.993 29.460 0.239 0.000 1.144 680 W HN -0.315 nan 8.180 nan 0.000 0.626 681 R N 0.142 120.872 120.500 0.383 0.000 2.698 681 R HA 0.359 4.698 4.340 -0.002 0.000 0.422 681 R C 0.804 177.211 176.300 0.178 0.000 1.073 681 R CA 0.365 56.648 56.100 0.304 0.000 1.054 681 R CB 0.684 31.126 30.300 0.236 0.000 1.373 681 R HN 0.231 nan 8.270 nan 0.000 0.593 682 G N 0.225 109.176 108.800 0.252 0.000 4.003 682 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.204 682 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.204 682 G C -0.220 174.845 174.900 0.276 0.000 1.077 682 G CA -0.774 44.450 45.100 0.207 0.000 0.872 682 G HN 0.004 nan 8.290 nan 0.000 0.350 683 R N 1.060 121.656 120.500 0.161 0.000 2.698 683 R HA 0.405 4.743 4.340 -0.002 0.000 0.266 683 R C 0.065 176.520 176.300 0.259 0.000 1.026 683 R CA -0.022 56.133 56.100 0.092 0.000 1.102 683 R CB 0.663 30.860 30.300 -0.172 0.000 0.978 683 R HN 0.188 nan 8.270 nan 0.000 0.436 684 V N 3.853 123.903 119.914 0.226 0.000 2.407 684 V HA 0.216 4.335 4.120 -0.002 0.000 0.278 684 V C -0.327 175.945 176.094 0.296 0.000 1.037 684 V CA -0.522 62.010 62.300 0.388 0.000 0.900 684 V CB 0.711 32.769 31.823 0.391 0.000 0.983 684 V HN 0.561 nan 8.190 nan 0.000 0.459 685 W N 2.777 124.231 121.300 0.256 0.000 2.551 685 W HA 0.539 5.197 4.660 -0.003 0.000 0.330 685 W C 0.992 177.720 176.519 0.349 0.000 1.063 685 W CA -0.701 56.798 57.345 0.257 0.000 1.222 685 W CB 1.448 31.086 29.460 0.297 0.000 1.349 685 W HN 0.322 nan 8.180 nan 0.000 0.536 686 V N 1.720 121.974 119.914 0.566 0.000 2.594 686 V HA -0.272 3.847 4.120 -0.002 0.000 0.253 686 V C 1.935 178.109 176.094 0.134 0.000 1.069 686 V CA 2.268 64.812 62.300 0.407 0.000 1.082 686 V CB -0.712 31.380 31.823 0.448 0.000 0.680 686 V HN 0.693 nan 8.190 nan 0.000 0.469 687 D N -0.343 120.019 120.400 -0.063 0.000 2.103 687 D HA -0.203 4.435 4.640 -0.002 0.000 0.199 687 D C 1.969 177.652 176.300 -1.027 0.000 0.978 687 D CA 1.023 54.295 54.000 -1.214 0.000 0.829 687 D CB -0.440 39.556 40.800 -1.340 0.000 0.981 687 D HN 0.340 nan 8.370 nan 0.000 0.464 688 Q N -0.475 119.232 119.800 -0.154 0.000 2.167 688 Q HA -0.067 4.271 4.340 -0.002 0.000 0.202 688 Q C 2.092 178.311 176.000 0.365 0.000 0.970 688 Q CA 0.509 56.475 55.803 0.272 0.000 0.855 688 Q CB -0.616 28.448 28.738 0.544 0.000 0.911 688 Q HN 0.398 nan 8.270 nan 0.000 0.438 689 F N -0.287 119.739 119.950 0.126 0.000 2.102 689 F HA -0.217 4.309 4.527 -0.003 0.000 0.298 689 F C 2.090 177.806 175.800 -0.140 0.000 1.105 689 F CA 1.456 59.460 58.000 0.007 0.000 1.239 689 F CB -0.490 38.494 39.000 -0.027 0.000 0.991 689 F HN 0.143 nan 8.300 nan 0.000 0.474 690 W N 0.086 121.188 121.300 -0.329 0.000 2.363 690 W HA -0.212 4.448 4.660 -0.001 0.000 0.296 690 W C 1.901 178.242 176.519 -0.297 0.000 1.212 690 W CA 1.825 58.950 57.345 -0.366 0.000 1.260 690 W CB -0.648 28.700 29.460 -0.186 0.000 1.131 690 W HN 0.042 nan 8.180 nan 0.000 0.530 691 F N 0.626 120.396 119.950 -0.300 0.000 2.126 691 F HA -0.043 4.482 4.527 -0.003 0.000 0.299 691 F C 2.601 178.167 175.800 -0.389 0.000 1.096 691 F CA 1.401 59.023 58.000 -0.631 0.000 1.255 691 F CB -1.584 37.120 39.000 -0.494 0.000 0.997 691 F HN -0.007 nan 8.300 nan 0.000 0.479 692 G N 0.026 108.647 108.800 -0.298 0.000 2.421 692 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.216 692 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.216 692 G C 1.700 176.158 174.900 -0.736 0.000 1.171 692 G CA 0.715 45.250 45.100 -0.941 0.000 0.775 692 G HN 0.207 nan 8.290 nan 0.000 0.543 693 L N 0.581 121.282 121.223 -0.871 0.000 2.046 693 L HA 0.011 4.350 4.340 -0.002 0.000 0.208 693 L C 2.804 179.334 176.870 -0.566 0.000 1.077 693 L CA 1.399 55.655 54.840 -0.973 0.000 0.747 693 L CB -0.404 40.667 42.059 -1.648 0.000 0.896 693 L HN 0.048 nan 8.230 nan 0.000 0.432 694 K N -0.503 119.634 120.400 -0.439 0.000 2.057 694 K HA -0.047 4.272 4.320 -0.002 0.000 0.207 694 K C 2.101 178.725 176.600 0.039 0.000 1.049 694 K CA 1.329 57.554 56.287 -0.104 0.000 0.931 694 K CB -1.025 31.326 32.500 -0.249 0.000 0.714 694 K HN 0.424 nan 8.250 nan 0.000 0.440 695 G N 1.266 110.098 108.800 0.053 0.000 2.418 695 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.217 695 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.217 695 G C 1.656 176.658 174.900 0.170 0.000 1.158 695 G CA 0.854 46.048 45.100 0.157 0.000 0.771 695 G HN 0.214 nan 8.290 nan 0.000 0.545 696 M N 0.135 119.739 119.600 0.006 0.000 2.065 696 M HA -0.053 4.426 4.480 -0.002 0.000 0.259 696 M C 2.506 178.928 176.300 0.204 0.000 1.069 696 M CA 2.173 57.509 55.300 0.060 0.000 1.110 696 M CB -0.192 32.330 32.600 -0.131 0.000 1.328 696 M HN 0.428 nan 8.290 nan 0.000 0.405 697 E N 0.049 120.325 120.200 0.126 0.000 2.058 697 E HA -0.307 4.041 4.350 -0.002 0.000 0.194 697 E C 2.112 178.760 176.600 0.080 0.000 0.997 697 E CA 1.585 58.075 56.400 0.151 0.000 0.801 697 E CB -0.287 29.551 29.700 0.230 0.000 0.746 697 E HN 0.466 nan 8.360 nan 0.000 0.450 698 R N -0.649 119.873 120.500 0.037 0.000 2.139 698 R HA -0.179 4.160 4.340 -0.002 0.000 0.243 698 R C 0.821 176.917 176.300 -0.340 0.000 1.145 698 R CA 1.588 57.593 56.100 -0.159 0.000 0.976 698 R CB -0.175 29.985 30.300 -0.234 0.000 0.866 698 R HN 0.298 nan 8.270 nan 0.000 0.449 699 Y N -0.603 119.741 120.300 0.074 0.000 2.683 699 Y HA 0.286 4.835 4.550 -0.002 0.000 0.297 699 Y C 1.049 176.941 175.900 -0.015 0.000 1.147 699 Y CA 0.319 58.466 58.100 0.078 0.000 1.274 699 Y CB 0.976 39.533 38.460 0.162 0.000 1.143 699 Y HN 0.350 nan 8.280 nan 0.000 0.527 700 G N -0.656 108.136 108.800 -0.013 0.000 2.136 700 G HA2 -0.345 3.613 3.960 -0.002 0.000 0.242 700 G HA3 -0.345 3.613 3.960 -0.002 0.000 0.242 700 G C -0.166 174.534 174.900 -0.333 0.000 0.989 700 G CA -0.110 44.878 45.100 -0.188 0.000 0.682 700 G HN 0.484 nan 8.290 nan 0.000 0.522 701 Y N -0.474 119.856 120.300 0.048 0.000 2.736 701 Y HA 0.391 4.939 4.550 -0.002 0.000 0.293 701 Y C 1.923 177.837 175.900 0.025 0.000 1.062 701 Y CA -0.089 58.028 58.100 0.029 0.000 1.247 701 Y CB 0.303 38.773 38.460 0.016 0.000 1.200 701 Y HN 0.274 nan 8.280 nan 0.000 0.552 702 R N 0.496 121.072 120.500 0.128 0.000 2.105 702 R HA -0.168 4.170 4.340 -0.002 0.000 0.239 702 R C 1.172 177.553 176.300 0.134 0.000 1.135 702 R CA 2.084 58.276 56.100 0.153 0.000 0.967 702 R CB 0.069 30.441 30.300 0.120 0.000 0.861 702 R HN 0.339 nan 8.270 nan 0.000 0.442 703 D N 0.717 121.176 120.400 0.098 0.000 2.104 703 D HA -0.182 4.457 4.640 -0.002 0.000 0.194 703 D C 1.392 177.743 176.300 0.085 0.000 0.994 703 D CA 1.365 55.416 54.000 0.085 0.000 0.830 703 D CB -0.339 40.501 40.800 0.066 0.000 0.959 703 D HN 0.323 nan 8.370 nan 0.000 0.452 704 D N 0.336 120.795 120.400 0.099 0.000 2.178 704 D HA -0.067 4.571 4.640 -0.002 0.000 0.202 704 D C 1.978 178.270 176.300 -0.012 0.000 0.974 704 D CA 0.803 54.839 54.000 0.059 0.000 0.841 704 D CB 0.055 40.902 40.800 0.079 0.000 0.953 704 D HN 0.107 nan 8.370 nan 0.000 0.478 705 A N 1.031 123.828 122.820 -0.039 0.000 1.877 705 A HA -0.120 4.199 4.320 -0.002 0.000 0.216 705 A C 2.391 179.890 177.584 -0.142 0.000 1.186 705 A CA 0.792 52.691 52.037 -0.229 0.000 0.620 705 A CB -0.776 18.036 19.000 -0.312 0.000 0.822 705 A HN 0.176 nan 8.150 nan 0.000 0.443 706 L N -0.663 120.601 121.223 0.070 0.000 2.079 706 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 706 L C 2.537 179.476 176.870 0.116 0.000 1.081 706 L CA 1.713 56.649 54.840 0.160 0.000 0.752 706 L CB -0.423 41.736 42.059 0.167 0.000 0.896 706 L HN 0.370 nan 8.230 nan 0.000 0.433 707 K N 0.071 120.513 120.400 0.071 0.000 2.057 707 K HA -0.119 4.200 4.320 -0.002 0.000 0.206 707 K C 2.081 178.729 176.600 0.079 0.000 1.050 707 K CA 1.095 57.422 56.287 0.066 0.000 0.935 707 K CB -0.164 32.365 32.500 0.048 0.000 0.715 707 K HN 0.255 nan 8.250 nan 0.000 0.439 708 L N 0.443 121.700 121.223 0.057 0.000 2.093 708 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 708 L C 2.575 179.641 176.870 0.327 0.000 1.085 708 L CA 0.850 55.768 54.840 0.130 0.000 0.755 708 L CB -0.567 41.491 42.059 -0.002 0.000 0.904 708 L HN 0.201 nan 8.230 nan 0.000 0.435 709 A N 0.164 123.148 122.820 0.273 0.000 1.930 709 A HA -0.280 4.039 4.320 -0.002 0.000 0.217 709 A C 1.950 179.836 177.584 0.503 0.000 1.175 709 A CA 2.059 54.394 52.037 0.497 0.000 0.627 709 A CB -0.579 18.674 19.000 0.422 0.000 0.815 709 A HN 0.452 nan 8.150 nan 0.000 0.443 710 D N -0.965 119.609 120.400 0.290 0.000 2.097 710 D HA -0.121 4.517 4.640 -0.002 0.000 0.195 710 D C 1.911 178.258 176.300 0.077 0.000 0.989 710 D CA 2.041 56.149 54.000 0.180 0.000 0.827 710 D CB -0.202 40.653 40.800 0.092 0.000 0.966 710 D HN 0.332 nan 8.370 nan 0.000 0.456 711 T N -0.464 114.096 114.554 0.010 0.000 2.684 711 T HA -0.165 4.184 4.350 -0.002 0.000 0.267 711 T C 1.603 176.131 174.700 -0.287 0.000 1.036 711 T CA 1.220 63.171 62.100 -0.249 0.000 1.148 711 T CB -0.672 68.127 68.868 -0.115 0.000 0.863 711 T HN 0.246 nan 8.240 nan 0.000 0.436 712 F N 1.018 120.884 119.950 -0.141 0.000 2.069 712 F HA -0.108 4.418 4.527 -0.003 0.000 0.298 712 F C 1.920 177.601 175.800 -0.198 0.000 1.113 712 F CA 1.191 59.051 58.000 -0.232 0.000 1.214 712 F CB -0.504 38.365 39.000 -0.219 0.000 0.978 712 F HN 0.124 nan 8.300 nan 0.000 0.474 713 F N 1.145 121.098 119.950 0.004 0.000 2.216 713 F HA -0.129 4.397 4.527 -0.003 0.000 0.300 713 F C 2.370 178.001 175.800 -0.282 0.000 1.085 713 F CA 1.659 59.544 58.000 -0.191 0.000 1.326 713 F CB -0.335 38.506 39.000 -0.266 0.000 1.027 713 F HN -0.124 nan 8.300 nan 0.000 0.497 714 R N -1.819 118.529 120.500 -0.253 0.000 2.210 714 R HA 0.032 4.370 4.340 -0.002 0.000 0.203 714 R C 1.443 177.585 176.300 -0.263 0.000 1.010 714 R CA 1.143 57.074 56.100 -0.281 0.000 1.008 714 R CB -0.255 29.881 30.300 -0.275 0.000 0.923 714 R HN 0.478 nan 8.270 nan 0.000 0.469 715 H N -0.746 118.019 119.070 -0.509 0.000 2.729 715 H HA 0.304 4.858 4.556 -0.002 0.000 0.263 715 H C 0.249 175.235 175.328 -0.570 0.000 0.961 715 H CA -0.339 55.310 56.048 -0.665 0.000 1.217 715 H CB 0.683 29.643 29.762 -1.337 0.000 1.447 715 H HN 0.048 nan 8.280 nan 0.000 0.496 716 A N 2.710 125.086 122.820 -0.740 0.000 2.505 716 A HA 0.032 4.351 4.320 -0.002 0.000 0.271 716 A C 0.128 177.432 177.584 -0.466 0.000 1.112 716 A CA -0.215 51.226 52.037 -0.993 0.000 0.781 716 A CB -0.046 17.849 19.000 -1.841 0.000 1.059 716 A HN 0.128 nan 8.150 nan 0.000 0.508 717 K N 1.733 122.033 120.400 -0.167 0.000 2.489 717 K HA 0.205 4.524 4.320 -0.002 0.000 0.278 717 K C 1.368 177.961 176.600 -0.011 0.000 1.000 717 K CA 1.168 57.432 56.287 -0.037 0.000 1.012 717 K CB 0.261 32.785 32.500 0.041 0.000 0.903 717 K HN 1.555 nan 8.250 nan 0.000 0.485 718 G N 1.899 110.670 108.800 -0.049 0.000 2.168 718 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.263 718 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.263 718 G C 0.802 175.672 174.900 -0.050 0.000 0.977 718 G CA 0.422 45.502 45.100 -0.032 0.000 0.659 718 G HN 0.524 nan 8.290 nan 0.000 0.533 719 L N 1.424 122.564 121.223 -0.138 0.000 2.012 719 L HA 0.046 4.385 4.340 -0.002 0.000 0.210 719 L C 2.981 179.773 176.870 -0.129 0.000 1.073 719 L CA 3.362 58.104 54.840 -0.163 0.000 0.748 719 L CB -0.622 41.180 42.059 -0.429 0.000 0.891 719 L HN 0.674 nan 8.230 nan 0.000 0.431 720 T N -3.355 111.092 114.554 -0.178 0.000 3.144 720 T HA 0.491 4.839 4.350 -0.002 0.000 0.249 720 T C 0.707 175.401 174.700 -0.010 0.000 1.089 720 T CA 0.149 62.207 62.100 -0.069 0.000 0.989 720 T CB -0.326 68.496 68.868 -0.077 0.000 0.992 720 T HN 0.305 nan 8.240 nan 0.000 0.540 721 A N 2.276 125.088 122.820 -0.013 0.000 2.239 721 A HA 0.552 4.871 4.320 -0.002 0.000 0.303 721 A C 0.830 178.436 177.584 0.037 0.000 1.114 721 A CA -0.225 51.820 52.037 0.012 0.000 0.871 721 A CB 0.445 19.447 19.000 0.005 0.000 1.201 721 A HN 0.427 nan 8.150 nan 0.000 0.506 722 D N -0.730 119.697 120.400 0.045 0.000 2.427 722 D HA 0.263 4.902 4.640 -0.002 0.000 0.224 722 D C 0.566 176.906 176.300 0.066 0.000 1.157 722 D CA 0.334 54.371 54.000 0.062 0.000 0.828 722 D CB -0.554 40.285 40.800 0.067 0.000 0.974 722 D HN 0.549 nan 8.370 nan 0.000 0.498 723 G N 1.109 109.941 108.800 0.053 0.000 2.537 723 G HA2 0.458 4.416 3.960 -0.002 0.000 0.273 723 G HA3 0.458 4.416 3.960 -0.002 0.000 0.273 723 G C -2.318 172.617 174.900 0.060 0.000 1.189 723 G CA -1.197 43.934 45.100 0.052 0.000 0.881 723 G HN 0.055 nan 8.290 nan 0.000 0.535 724 P HA 0.194 nan 4.420 nan 0.000 0.272 724 P C -0.075 177.251 177.300 0.043 0.000 1.230 724 P CA -0.222 62.917 63.100 0.065 0.000 0.788 724 P CB 1.239 32.978 31.700 0.065 0.000 0.949 725 I N 1.596 122.202 120.570 0.061 0.000 2.556 725 I HA 0.035 4.204 4.170 -0.002 0.000 0.284 725 I C 1.358 177.479 176.117 0.007 0.000 1.114 725 I CA 0.325 61.660 61.300 0.060 0.000 1.418 725 I CB 0.087 38.153 38.000 0.110 0.000 1.394 725 I HN 0.322 nan 8.210 nan 0.000 0.552 726 Q N 4.123 123.867 119.800 -0.093 0.000 2.934 726 Q HA 0.311 4.650 4.340 -0.002 0.000 0.219 726 Q C 0.399 176.162 176.000 -0.394 0.000 1.024 726 Q CA -0.763 54.893 55.803 -0.245 0.000 0.928 726 Q CB 1.167 29.711 28.738 -0.323 0.000 1.594 726 Q HN 0.524 nan 8.270 nan 0.000 0.485 727 E N -0.017 119.734 120.200 -0.748 0.000 2.127 727 E HA -0.034 4.314 4.350 -0.002 0.000 0.191 727 E C -0.205 175.601 176.600 -1.323 0.000 0.964 727 E CA 0.696 56.399 56.400 -1.163 0.000 0.832 727 E CB 0.331 29.086 29.700 -1.576 0.000 0.790 727 E HN 0.477 nan 8.360 nan 0.000 0.465 728 N N -1.366 116.523 118.700 -1.352 0.000 3.039 728 N HA 0.270 5.008 4.740 -0.002 0.000 0.257 728 N C -1.614 173.265 175.510 -1.052 0.000 1.497 728 N CA -0.749 51.515 53.050 -1.310 0.000 0.861 728 N CB 0.593 37.971 38.487 -1.849 0.000 1.479 728 N HN -0.154 nan 8.380 nan 0.000 0.547 729 Y N -1.337 118.733 120.300 -0.384 0.000 2.512 729 Y HA 0.446 4.995 4.550 -0.002 0.000 0.348 729 Y C -0.155 175.673 175.900 -0.121 0.000 0.990 729 Y CA -1.080 56.896 58.100 -0.207 0.000 1.033 729 Y CB 1.635 40.022 38.460 -0.122 0.000 1.259 729 Y HN 0.582 nan 8.280 nan 0.000 0.461 730 N N 4.690 123.444 118.700 0.090 0.000 2.475 730 N HA 0.066 4.804 4.740 -0.002 0.000 0.267 730 N C -1.856 173.758 175.510 0.174 0.000 1.169 730 N CA -1.474 51.623 53.050 0.079 0.000 0.947 730 N CB 1.397 39.906 38.487 0.036 0.000 1.061 730 N HN 0.383 nan 8.380 nan 0.000 0.466 731 P HA -0.081 nan 4.420 nan 0.000 0.223 731 P C 1.152 178.628 177.300 0.293 0.000 1.151 731 P CA 0.984 64.258 63.100 0.291 0.000 0.787 731 P CB 0.469 32.394 31.700 0.374 0.000 0.788 732 L N -0.692 120.658 121.223 0.212 0.000 2.408 732 L HA 0.086 4.425 4.340 -0.002 0.000 0.215 732 L C 2.362 179.155 176.870 -0.128 0.000 1.081 732 L CA 1.702 56.602 54.840 0.101 0.000 0.840 732 L CB -0.896 41.209 42.059 0.076 0.000 1.002 732 L HN 0.083 nan 8.230 nan 0.000 0.468 733 T N -5.214 109.302 114.554 -0.063 0.000 2.959 733 T HA 0.283 4.632 4.350 -0.002 0.000 0.254 733 T C 1.448 176.169 174.700 0.035 0.000 1.003 733 T CA 0.586 62.557 62.100 -0.215 0.000 0.950 733 T CB 1.018 69.805 68.868 -0.134 0.000 1.090 733 T HN 0.318 nan 8.240 nan 0.000 0.503 734 G N 1.763 110.692 108.800 0.214 0.000 2.179 734 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.260 734 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.260 734 G C 0.369 175.371 174.900 0.169 0.000 0.977 734 G CA -0.002 45.223 45.100 0.208 0.000 0.641 734 G HN 1.276 nan 8.290 nan 0.000 0.533 735 A N 0.016 122.893 122.820 0.094 0.000 2.462 735 A HA 0.582 4.900 4.320 -0.002 0.000 0.243 735 A C 0.648 178.233 177.584 0.003 0.000 1.076 735 A CA 0.465 52.525 52.037 0.039 0.000 0.773 735 A CB 0.270 19.262 19.000 -0.013 0.000 1.010 735 A HN 0.572 nan 8.150 nan 0.000 0.493 736 Q N 0.746 120.508 119.800 -0.065 0.000 2.227 736 Q HA 0.517 4.855 4.340 -0.002 0.000 0.245 736 Q C -0.639 175.205 176.000 -0.260 0.000 0.926 736 Q CA -0.241 55.408 55.803 -0.256 0.000 0.895 736 Q CB 1.313 29.901 28.738 -0.251 0.000 1.230 736 Q HN 0.807 nan 8.270 nan 0.000 0.450 737 Q N -0.545 119.015 119.800 -0.399 0.000 2.482 737 Q HA 0.639 4.978 4.340 -0.002 0.000 0.286 737 Q C -0.899 174.840 176.000 -0.435 0.000 1.007 737 Q CA -0.566 55.046 55.803 -0.317 0.000 0.801 737 Q CB 2.644 31.218 28.738 -0.273 0.000 1.455 737 Q HN 0.897 nan 8.270 nan 0.000 0.398 738 G N 0.121 108.775 108.800 -0.244 0.000 2.479 738 G HA2 0.236 4.195 3.960 -0.002 0.000 0.686 738 G HA3 0.236 4.195 3.960 -0.002 0.000 0.686 738 G C -1.078 173.654 174.900 -0.280 0.000 1.295 738 G CA -0.558 44.361 45.100 -0.302 0.000 0.922 738 G HN 0.773 nan 8.290 nan 0.000 0.582 739 A N 1.586 124.159 122.820 -0.412 0.000 2.498 739 A HA 0.672 4.990 4.320 -0.002 0.000 0.239 739 A C -1.265 176.120 177.584 -0.331 0.000 1.068 739 A CA -0.067 51.547 52.037 -0.704 0.000 0.766 739 A CB -0.028 18.610 19.000 -0.604 0.000 1.003 739 A HN 0.777 nan 8.150 nan 0.000 0.497 740 P HA 0.185 nan 4.420 nan 0.000 0.278 740 P C -0.591 176.709 177.300 -0.001 0.000 1.238 740 P CA -0.204 62.851 63.100 -0.075 0.000 0.794 740 P CB 0.306 31.991 31.700 -0.025 0.000 0.955 741 N N -1.315 117.414 118.700 0.048 0.000 2.783 741 N HA -0.234 4.504 4.740 -0.002 0.000 0.247 741 N C -0.768 174.792 175.510 0.083 0.000 1.089 741 N CA 0.102 53.195 53.050 0.072 0.000 0.690 741 N CB -2.138 36.393 38.487 0.073 0.000 0.991 741 N HN 0.387 nan 8.380 nan 0.000 0.552 742 F N 1.135 121.026 119.950 -0.098 0.000 2.471 742 F HA 0.280 4.806 4.527 -0.002 0.000 0.365 742 F C 1.567 177.309 175.800 -0.097 0.000 1.095 742 F CA -0.230 57.675 58.000 -0.159 0.000 1.174 742 F CB 0.662 39.508 39.000 -0.256 0.000 1.105 742 F HN 0.059 nan 8.300 nan 0.000 0.535 743 S N 5.126 120.495 115.700 -0.553 0.000 2.359 743 S HA -0.264 4.205 4.470 -0.002 0.000 0.223 743 S C 1.678 176.099 174.600 -0.299 0.000 1.039 743 S CA 1.982 59.956 58.200 -0.377 0.000 1.042 743 S CB -0.656 62.353 63.200 -0.318 0.000 0.915 743 S HN 0.925 nan 8.310 nan 0.000 0.439 744 W N 2.341 123.187 121.300 -0.757 0.000 2.465 744 W HA 0.171 4.829 4.660 -0.003 0.000 0.268 744 W C 1.823 178.331 176.519 -0.019 0.000 1.242 744 W CA 0.417 57.558 57.345 -0.340 0.000 1.248 744 W CB -1.174 28.111 29.460 -0.292 0.000 1.118 744 W HN 0.105 nan 8.180 nan 0.000 0.587 745 S N 1.038 116.925 115.700 0.311 0.000 2.371 745 S HA -0.035 4.433 4.470 -0.002 0.000 0.224 745 S C 2.238 177.017 174.600 0.299 0.000 1.029 745 S CA 1.773 60.236 58.200 0.440 0.000 0.978 745 S CB -0.838 62.581 63.200 0.365 0.000 0.833 745 S HN 0.425 nan 8.310 nan 0.000 0.466 746 A N 1.615 124.539 122.820 0.173 0.000 1.902 746 A HA 0.066 4.385 4.320 -0.002 0.000 0.217 746 A C 2.337 180.010 177.584 0.148 0.000 1.181 746 A CA 1.774 53.901 52.037 0.150 0.000 0.623 746 A CB -1.114 17.936 19.000 0.083 0.000 0.818 746 A HN 0.512 nan 8.150 nan 0.000 0.443 747 A N -1.133 121.733 122.820 0.076 0.000 1.883 747 A HA -0.217 4.101 4.320 -0.002 0.000 0.217 747 A C 2.061 179.568 177.584 -0.128 0.000 1.186 747 A CA 1.659 53.681 52.037 -0.024 0.000 0.624 747 A CB -0.916 17.988 19.000 -0.161 0.000 0.822 747 A HN 0.669 nan 8.150 nan 0.000 0.444 748 H N -0.853 118.223 119.070 0.010 0.000 2.502 748 H HA 0.126 4.681 4.556 -0.002 0.000 0.283 748 H C 1.970 177.267 175.328 -0.051 0.000 1.015 748 H CA 1.002 56.952 56.048 -0.163 0.000 1.298 748 H CB -0.052 29.639 29.762 -0.119 0.000 1.411 748 H HN 0.397 nan 8.280 nan 0.000 0.556 749 L N -0.257 121.093 121.223 0.212 0.000 2.109 749 L HA -0.189 4.149 4.340 -0.002 0.000 0.207 749 L C 2.464 179.453 176.870 0.199 0.000 1.086 749 L CA 0.859 55.859 54.840 0.267 0.000 0.760 749 L CB -0.393 41.887 42.059 0.368 0.000 0.910 749 L HN 0.187 nan 8.230 nan 0.000 0.437 750 Y N 0.409 120.759 120.300 0.083 0.000 2.200 750 Y HA -0.236 4.313 4.550 -0.001 0.000 0.290 750 Y C 2.492 178.427 175.900 0.060 0.000 1.137 750 Y CA 1.528 59.678 58.100 0.084 0.000 1.163 750 Y CB -0.139 38.353 38.460 0.053 0.000 0.988 750 Y HN 0.045 nan 8.280 nan 0.000 0.518 751 M N -0.566 118.913 119.600 -0.201 0.000 2.159 751 M HA -0.207 4.272 4.480 -0.002 0.000 0.263 751 M C 2.109 178.293 176.300 -0.193 0.000 1.063 751 M CA 1.540 56.642 55.300 -0.330 0.000 1.110 751 M CB -0.367 31.776 32.600 -0.762 0.000 1.374 751 M HN 0.304 nan 8.290 nan 0.000 0.411 752 L N -1.222 119.886 121.223 -0.191 0.000 2.093 752 L HA -0.222 4.117 4.340 -0.002 0.000 0.208 752 L C 2.597 179.062 176.870 -0.675 0.000 1.085 752 L CA 1.253 55.900 54.840 -0.322 0.000 0.755 752 L CB -0.736 40.955 42.059 -0.614 0.000 0.904 752 L HN 0.306 nan 8.230 nan 0.000 0.435 753 Y N 0.525 120.509 120.300 -0.527 0.000 2.181 753 Y HA -0.268 4.281 4.550 -0.002 0.000 0.288 753 Y C 2.297 178.066 175.900 -0.218 0.000 1.146 753 Y CA 1.986 59.993 58.100 -0.156 0.000 1.164 753 Y CB -0.416 38.027 38.460 -0.030 0.000 0.982 753 Y HN 0.179 nan 8.280 nan 0.000 0.515 754 N N -0.696 117.678 118.700 -0.544 0.000 2.250 754 N HA -0.150 4.589 4.740 -0.002 0.000 0.181 754 N C 0.757 176.015 175.510 -0.420 0.000 1.017 754 N CA 1.188 53.899 53.050 -0.566 0.000 0.866 754 N CB 0.073 38.276 38.487 -0.473 0.000 0.985 754 N HN 0.431 nan 8.380 nan 0.000 0.429 755 D N -0.943 119.238 120.400 -0.365 0.000 2.323 755 D HA 0.032 4.671 4.640 -0.002 0.000 0.218 755 D C 0.560 176.328 176.300 -0.887 0.000 0.973 755 D CA 0.781 54.426 54.000 -0.591 0.000 0.890 755 D CB 0.135 40.583 40.800 -0.587 0.000 1.011 755 D HN 0.266 nan 8.370 nan 0.000 0.499 756 F N -0.860 119.023 119.950 -0.111 0.000 2.880 756 F HA 0.231 4.757 4.527 -0.002 0.000 0.346 756 F C 0.182 176.027 175.800 0.075 0.000 1.054 756 F CA -0.612 57.360 58.000 -0.047 0.000 1.151 756 F CB 0.438 39.413 39.000 -0.041 0.000 1.066 756 F HN -0.288 nan 8.300 nan 0.000 0.566 757 F N 2.919 122.919 119.950 0.085 0.000 2.443 757 F HA 0.545 5.071 4.527 -0.003 0.000 0.353 757 F C 0.579 176.317 175.800 -0.103 0.000 1.101 757 F CA -0.964 57.027 58.000 -0.016 0.000 1.226 757 F CB 0.451 39.422 39.000 -0.048 0.000 1.140 757 F HN 0.008 nan 8.300 nan 0.000 0.557 758 R N 0.916 121.464 120.500 0.080 0.000 2.741 758 R HA 0.473 4.811 4.340 -0.002 0.000 0.274 758 R C -1.352 174.913 176.300 -0.058 0.000 1.029 758 R CA -1.187 54.909 56.100 -0.006 0.000 0.880 758 R CB 1.102 31.415 30.300 0.021 0.000 1.264 758 R HN 0.440 nan 8.270 nan 0.000 0.465 759 K N 0.000 120.374 120.400 -0.043 0.000 2.780 759 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 759 K CA 0.000 56.263 56.287 -0.039 0.000 0.838 759 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543