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 1v3l_1_B DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDLRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.566 177.584 -0.029 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 2 P HA 0.226 nan 4.420 nan 0.000 0.274 2 P C -0.045 177.229 177.300 -0.044 0.000 1.246 2 P CA 0.226 63.307 63.100 -0.031 0.000 0.795 2 P CB 0.569 32.249 31.700 -0.032 0.000 1.006 3 D N 0.094 120.475 120.400 -0.032 0.000 2.182 3 D HA -0.166 4.493 4.640 0.031 0.000 0.201 3 D C 1.114 177.374 176.300 -0.067 0.000 0.986 3 D CA 2.075 56.057 54.000 -0.029 0.000 0.847 3 D CB -1.547 39.270 40.800 0.029 0.000 0.942 3 D HN 0.448 nan 8.370 nan 0.000 0.467 4 T N -2.518 111.992 114.554 -0.074 0.000 3.148 4 T HA 0.047 4.415 4.350 0.031 0.000 0.253 4 T C 1.021 175.646 174.700 -0.124 0.000 1.134 4 T CA -0.019 62.016 62.100 -0.109 0.000 1.051 4 T CB -0.260 68.554 68.868 -0.089 0.000 0.959 4 T HN 0.158 nan 8.240 nan 0.000 0.525 5 S N 0.381 116.012 115.700 -0.116 0.000 2.572 5 S HA 0.203 4.691 4.470 0.031 0.000 0.279 5 S C 1.453 175.957 174.600 -0.160 0.000 1.341 5 S CA -0.488 57.641 58.200 -0.118 0.000 1.043 5 S CB 1.217 64.358 63.200 -0.099 0.000 0.887 5 S HN 0.193 nan 8.310 nan 0.000 0.516 6 V N 4.460 124.284 119.914 -0.150 0.000 2.688 6 V HA -0.093 4.045 4.120 0.031 0.000 0.256 6 V C 2.128 178.082 176.094 -0.232 0.000 1.084 6 V CA 2.531 64.723 62.300 -0.180 0.000 1.103 6 V CB -0.847 30.902 31.823 -0.123 0.000 0.688 6 V HN 1.024 nan 8.190 nan 0.000 0.480 7 S N -0.001 115.578 115.700 -0.201 0.000 2.607 7 S HA 0.020 4.508 4.470 0.031 0.000 0.224 7 S C 0.987 175.492 174.600 -0.159 0.000 0.969 7 S CA 0.311 58.393 58.200 -0.196 0.000 0.927 7 S CB -0.664 62.447 63.200 -0.148 0.000 0.772 7 S HN 0.632 nan 8.310 nan 0.000 0.533 8 N N 2.304 120.896 118.700 -0.180 0.000 2.555 8 N HA 0.216 4.974 4.740 0.031 0.000 0.244 8 N C 0.429 175.839 175.510 -0.166 0.000 1.114 8 N CA -0.142 52.815 53.050 -0.156 0.000 0.963 8 N CB 0.472 38.857 38.487 -0.169 0.000 1.276 8 N HN 0.352 nan 8.380 nan 0.000 0.510 9 K N 1.738 122.113 120.400 -0.042 0.000 2.366 9 K HA -0.034 4.305 4.320 0.031 0.000 0.198 9 K C 0.852 177.602 176.600 0.249 0.000 1.044 9 K CA 0.791 57.148 56.287 0.116 0.000 0.973 9 K CB 0.448 33.017 32.500 0.115 0.000 0.767 9 K HN 0.429 nan 8.250 nan 0.000 0.475 10 Q N 0.338 120.220 119.800 0.138 0.000 2.250 10 Q HA 0.074 4.433 4.340 0.031 0.000 0.200 10 Q C -0.265 175.849 176.000 0.190 0.000 0.941 10 Q CA 0.824 56.734 55.803 0.179 0.000 0.872 10 Q CB 0.416 29.210 28.738 0.094 0.000 0.965 10 Q HN 0.249 nan 8.270 nan 0.000 0.480 11 N N -1.091 117.651 118.700 0.070 0.000 2.225 11 N HA 0.393 5.151 4.740 0.031 0.000 0.298 11 N C -1.212 174.211 175.510 -0.145 0.000 1.076 11 N CA -0.393 52.626 53.050 -0.051 0.000 0.792 11 N CB 1.250 39.720 38.487 -0.029 0.000 1.498 11 N HN -0.099 nan 8.380 nan 0.000 0.474 12 F N 0.095 119.669 119.950 -0.625 0.000 2.772 12 F HA 0.155 4.700 4.527 0.030 0.000 0.316 12 F C 1.752 177.283 175.800 -0.448 0.000 1.114 12 F CA -0.371 57.292 58.000 -0.562 0.000 1.191 12 F CB 0.423 38.922 39.000 -0.834 0.000 1.065 12 F HN 0.502 nan 8.300 nan 0.000 0.534 13 S N -1.536 114.005 115.700 -0.266 0.000 2.555 13 S HA -0.112 4.377 4.470 0.031 0.000 0.230 13 S C 1.767 176.140 174.600 -0.378 0.000 0.978 13 S CA 1.116 59.132 58.200 -0.307 0.000 0.934 13 S CB -0.986 62.021 63.200 -0.321 0.000 0.766 13 S HN 0.389 nan 8.310 nan 0.000 0.533 14 T N -1.568 112.767 114.554 -0.365 0.000 3.107 14 T HA 0.178 4.547 4.350 0.031 0.000 0.249 14 T C 0.118 174.679 174.700 -0.233 0.000 1.096 14 T CA -0.318 61.581 62.100 -0.335 0.000 1.012 14 T CB -0.199 68.492 68.868 -0.295 0.000 0.977 14 T HN 0.252 nan 8.240 nan 0.000 0.527 15 D N 0.943 121.224 120.400 -0.198 0.000 2.332 15 D HA 0.484 5.143 4.640 0.031 0.000 0.252 15 D C -0.846 175.422 176.300 -0.054 0.000 1.050 15 D CA -0.466 53.462 54.000 -0.119 0.000 0.970 15 D CB 2.520 43.265 40.800 -0.092 0.000 1.141 15 D HN 0.002 nan 8.370 nan 0.000 0.485 16 V N 2.308 122.218 119.914 -0.006 0.000 2.376 16 V HA 0.283 4.421 4.120 0.031 0.000 0.287 16 V C 0.338 176.508 176.094 0.127 0.000 1.015 16 V CA -0.626 61.694 62.300 0.034 0.000 0.834 16 V CB 1.132 32.956 31.823 0.001 0.000 1.001 16 V HN 0.352 nan 8.190 nan 0.000 0.428 17 I N 4.565 125.253 120.570 0.197 0.000 2.519 17 I HA 0.279 4.468 4.170 0.031 0.000 0.287 17 I C -0.600 175.735 176.117 0.363 0.000 1.047 17 I CA -0.301 61.183 61.300 0.307 0.000 1.381 17 I CB 0.721 38.934 38.000 0.355 0.000 1.417 17 I HN 0.588 nan 8.210 nan 0.000 0.540 18 Y N 5.724 126.151 120.300 0.212 0.000 2.345 18 Y HA 0.245 4.810 4.550 0.025 0.000 0.331 18 Y C -0.050 175.966 175.900 0.193 0.000 0.959 18 Y CA -0.614 57.591 58.100 0.175 0.000 1.204 18 Y CB 0.963 39.483 38.460 0.100 0.000 1.135 18 Y HN 0.503 nan 8.280 nan 0.000 0.477 19 Q N 7.310 127.090 119.800 -0.034 0.000 2.314 19 Q HA 0.414 4.773 4.340 0.031 0.000 0.257 19 Q C -1.354 174.519 176.000 -0.212 0.000 0.975 19 Q CA -0.257 55.457 55.803 -0.147 0.000 0.933 19 Q CB 0.613 29.185 28.738 -0.277 0.000 1.195 19 Q HN 0.766 nan 8.270 nan 0.000 0.426 20 I N 3.797 124.208 120.570 -0.265 0.000 2.404 20 I HA 0.276 4.465 4.170 0.031 0.000 0.293 20 I C -0.801 175.119 176.117 -0.328 0.000 0.992 20 I CA -0.860 60.226 61.300 -0.357 0.000 1.149 20 I CB 1.237 38.977 38.000 -0.433 0.000 1.315 20 I HN 0.572 nan 8.210 nan 0.000 0.446 21 F N 4.407 124.019 119.950 -0.563 0.000 2.350 21 F HA 0.201 4.749 4.527 0.034 0.000 0.365 21 F C 1.634 177.229 175.800 -0.343 0.000 1.122 21 F CA -0.044 57.756 58.000 -0.335 0.000 1.139 21 F CB 1.218 40.122 39.000 -0.160 0.000 1.220 21 F HN 0.496 nan 8.300 nan 0.000 0.499 22 T N 1.467 115.824 114.554 -0.329 0.000 2.699 22 T HA -0.280 4.088 4.350 0.031 0.000 0.268 22 T C 1.660 176.311 174.700 -0.083 0.000 1.036 22 T CA 2.082 64.005 62.100 -0.295 0.000 1.147 22 T CB -0.203 68.236 68.868 -0.714 0.000 0.862 22 T HN 0.613 nan 8.240 nan 0.000 0.446 23 D N 0.252 120.682 120.400 0.050 0.000 2.310 23 D HA -0.061 4.597 4.640 0.031 0.000 0.212 23 D C 1.932 178.343 176.300 0.186 0.000 0.965 23 D CA 0.626 54.768 54.000 0.237 0.000 0.879 23 D CB 0.181 41.219 40.800 0.397 0.000 0.921 23 D HN 0.064 nan 8.370 nan 0.000 0.510 24 R N -0.749 119.827 120.500 0.127 0.000 2.393 24 R HA 0.126 4.485 4.340 0.031 0.000 0.244 24 R C 0.633 176.973 176.300 0.066 0.000 0.920 24 R CA -0.107 56.041 56.100 0.079 0.000 1.076 24 R CB -0.211 30.142 30.300 0.088 0.000 1.119 24 R HN 0.292 nan 8.270 nan 0.000 0.524 25 F N -0.035 119.867 119.950 -0.080 0.000 2.484 25 F HA 0.312 4.858 4.527 0.030 0.000 0.268 25 F C 0.256 176.167 175.800 0.185 0.000 0.965 25 F CA 0.207 58.223 58.000 0.027 0.000 1.119 25 F CB 0.377 39.368 39.000 -0.014 0.000 1.153 25 F HN -0.230 nan 8.300 nan 0.000 0.689 26 S N 0.016 115.840 115.700 0.206 0.000 2.614 26 S HA 0.258 4.747 4.470 0.031 0.000 0.275 26 S C -1.880 172.791 174.600 0.118 0.000 1.161 26 S CA -0.728 57.517 58.200 0.075 0.000 0.969 26 S CB 0.922 64.070 63.200 -0.086 0.000 1.059 26 S HN 0.259 nan 8.310 nan 0.000 0.482 27 D N 3.444 123.902 120.400 0.097 0.000 2.422 27 D HA 0.433 5.092 4.640 0.031 0.000 0.227 27 D C 1.162 177.503 176.300 0.068 0.000 1.190 27 D CA -0.024 54.037 54.000 0.102 0.000 0.905 27 D CB 0.554 41.428 40.800 0.123 0.000 1.034 27 D HN 0.658 nan 8.370 nan 0.000 0.507 28 G N 3.434 112.276 108.800 0.071 0.000 2.683 28 G HA2 -0.094 3.885 3.960 0.031 0.000 0.213 28 G HA3 -0.094 3.885 3.960 0.031 0.000 0.213 28 G C 0.624 175.552 174.900 0.047 0.000 1.142 28 G CA -0.334 44.797 45.100 0.051 0.000 0.793 28 G HN 0.553 nan 8.290 nan 0.000 0.534 29 N N -0.144 118.586 118.700 0.049 0.000 2.577 29 N HA 0.270 5.029 4.740 0.031 0.000 0.275 29 N C -2.315 173.200 175.510 0.008 0.000 1.091 29 N CA -1.562 51.505 53.050 0.030 0.000 0.843 29 N CB 2.481 40.991 38.487 0.037 0.000 1.295 29 N HN -0.236 nan 8.380 nan 0.000 0.530 30 P HA -0.045 nan 4.420 nan 0.000 0.218 30 P C 1.051 178.299 177.300 -0.086 0.000 1.149 30 P CA 0.823 63.905 63.100 -0.029 0.000 0.817 30 P CB 0.263 31.957 31.700 -0.010 0.000 0.785 31 A N 0.815 123.597 122.820 -0.064 0.000 2.070 31 A HA -0.192 4.146 4.320 0.031 0.000 0.220 31 A C 1.698 179.218 177.584 -0.106 0.000 1.159 31 A CA 1.841 53.830 52.037 -0.080 0.000 0.656 31 A CB -1.378 17.594 19.000 -0.047 0.000 0.800 31 A HN 0.319 nan 8.150 nan 0.000 0.453 32 N N -0.432 118.208 118.700 -0.101 0.000 2.270 32 N HA 0.024 4.783 4.740 0.031 0.000 0.198 32 N C -0.547 174.844 175.510 -0.198 0.000 1.117 32 N CA -0.294 52.681 53.050 -0.124 0.000 0.845 32 N CB -0.630 37.808 38.487 -0.083 0.000 0.980 32 N HN 0.164 nan 8.380 nan 0.000 0.486 33 N N 2.360 120.906 118.700 -0.258 0.000 2.492 33 N HA 0.202 4.961 4.740 0.031 0.000 0.262 33 N C -2.264 172.944 175.510 -0.502 0.000 1.202 33 N CA -1.025 51.774 53.050 -0.419 0.000 0.926 33 N CB 0.258 38.339 38.487 -0.678 0.000 1.078 33 N HN 0.213 nan 8.380 nan 0.000 0.454 34 P HA 0.074 nan 4.420 nan 0.000 0.270 34 P C -0.333 176.782 177.300 -0.307 0.000 1.227 34 P CA -0.086 62.804 63.100 -0.350 0.000 0.788 34 P CB 0.428 31.889 31.700 -0.399 0.000 0.926 35 T N -2.617 111.855 114.554 -0.136 0.000 2.932 35 T HA 0.618 4.987 4.350 0.031 0.000 0.289 35 T C 0.778 175.518 174.700 0.067 0.000 1.039 35 T CA -0.118 61.941 62.100 -0.068 0.000 1.024 35 T CB 1.430 70.243 68.868 -0.092 0.000 1.090 35 T HN 0.719 nan 8.240 nan 0.000 0.496 36 G N 1.602 110.466 108.800 0.107 0.000 2.646 36 G HA2 -0.258 3.721 3.960 0.031 0.000 0.324 36 G HA3 -0.258 3.721 3.960 0.031 0.000 0.324 36 G C 1.369 176.351 174.900 0.137 0.000 1.195 36 G CA 1.141 46.306 45.100 0.108 0.000 0.976 36 G HN 1.752 nan 8.290 nan 0.000 0.546 37 A N 0.029 122.908 122.820 0.098 0.000 2.015 37 A HA 0.455 4.794 4.320 0.031 0.000 0.219 37 A C 2.744 180.404 177.584 0.126 0.000 1.163 37 A CA 2.721 54.813 52.037 0.092 0.000 0.646 37 A CB -0.630 18.410 19.000 0.066 0.000 0.806 37 A HN 2.099 nan 8.150 nan 0.000 0.448 38 A N -2.160 120.763 122.820 0.171 0.000 2.208 38 A HA 0.449 4.787 4.320 0.031 0.000 0.209 38 A C 0.361 178.152 177.584 0.345 0.000 1.161 38 A CA 0.144 52.331 52.037 0.250 0.000 0.782 38 A CB -0.246 18.903 19.000 0.248 0.000 0.816 38 A HN 0.490 nan 8.150 nan 0.000 0.477 39 F N -0.229 119.777 119.950 0.095 0.000 2.532 39 F HA 0.600 5.147 4.527 0.033 0.000 0.321 39 F C -1.520 174.312 175.800 0.052 0.000 1.089 39 F CA -1.693 56.359 58.000 0.087 0.000 0.926 39 F CB 1.881 40.904 39.000 0.039 0.000 1.168 39 F HN -0.005 nan 8.300 nan 0.000 0.459 40 D N 3.083 122.948 120.400 -0.891 0.000 2.479 40 D HA 0.287 4.946 4.640 0.031 0.000 0.246 40 D C 0.680 176.439 176.300 -0.901 0.000 1.336 40 D CA -0.113 53.466 54.000 -0.702 0.000 0.967 40 D CB 1.412 42.021 40.800 -0.318 0.000 1.275 40 D HN 0.691 nan 8.370 nan 0.000 0.577 41 G N 1.695 109.951 108.800 -0.908 0.000 2.443 41 G HA2 -0.183 3.795 3.960 0.031 0.000 0.219 41 G HA3 -0.183 3.795 3.960 0.031 0.000 0.219 41 G C 1.255 176.036 174.900 -0.198 0.000 1.131 41 G CA 1.030 45.858 45.100 -0.453 0.000 0.775 41 G HN 0.533 nan 8.290 nan 0.000 0.547 42 S N -1.558 114.035 115.700 -0.179 0.000 2.527 42 S HA 0.019 4.508 4.470 0.031 0.000 0.222 42 S C 1.261 175.797 174.600 -0.108 0.000 0.985 42 S CA 0.493 58.632 58.200 -0.102 0.000 0.921 42 S CB -0.585 62.568 63.200 -0.078 0.000 0.772 42 S HN 0.790 nan 8.310 nan 0.000 0.529 43 c N 1.751 120.256 118.600 -0.159 0.000 4.167 43 c HA -0.175 4.414 4.570 0.031 0.000 0.302 43 c C 1.464 175.491 174.090 -0.104 0.000 1.384 43 c CA 0.993 57.240 56.329 -0.138 0.000 2.041 43 c CB -2.846 39.609 42.510 -0.092 0.000 1.303 43 c HN 0.777 nan 8.230 nan 0.000 0.718 44 T N -0.307 114.185 114.554 -0.104 0.000 3.031 44 T HA 0.002 4.371 4.350 0.031 0.000 0.254 44 T C 0.755 175.407 174.700 -0.079 0.000 1.060 44 T CA 1.139 63.193 62.100 -0.075 0.000 1.135 44 T CB -0.147 68.684 68.868 -0.062 0.000 0.896 44 T HN 0.721 nan 8.240 nan 0.000 0.472 45 N N 2.006 120.646 118.700 -0.100 0.000 2.485 45 N HA 0.192 4.950 4.740 0.031 0.000 0.243 45 N C 0.288 175.710 175.510 -0.147 0.000 0.987 45 N CA -0.242 52.751 53.050 -0.094 0.000 0.940 45 N CB 0.494 38.934 38.487 -0.079 0.000 1.122 45 N HN 0.226 nan 8.380 nan 0.000 0.509 46 L N 2.923 124.061 121.223 -0.142 0.000 2.675 46 L HA 0.121 4.479 4.340 0.031 0.000 0.239 46 L C 1.253 177.906 176.870 -0.361 0.000 1.151 46 L CA 0.355 55.061 54.840 -0.224 0.000 0.905 46 L CB -0.040 41.943 42.059 -0.127 0.000 1.057 46 L HN 0.365 nan 8.230 nan 0.000 0.435 47 R N -0.999 119.343 120.500 -0.264 0.000 2.476 47 R HA 0.335 4.694 4.340 0.031 0.000 0.276 47 R C 0.130 176.305 176.300 -0.208 0.000 0.941 47 R CA -0.137 55.845 56.100 -0.197 0.000 1.088 47 R CB 0.715 31.052 30.300 0.063 0.000 1.216 47 R HN 0.199 nan 8.270 nan 0.000 0.533 48 L N -0.177 120.887 121.223 -0.265 0.000 2.376 48 L HA 0.409 4.768 4.340 0.031 0.000 0.267 48 L C -0.276 176.484 176.870 -0.183 0.000 1.035 48 L CA -1.225 53.540 54.840 -0.125 0.000 0.800 48 L CB 0.612 42.636 42.059 -0.058 0.000 1.290 48 L HN -0.053 nan 8.230 nan 0.000 0.462 49 Y N -0.686 119.617 120.300 0.005 0.000 2.465 49 Y HA -0.011 4.558 4.550 0.031 0.000 0.331 49 Y C 0.937 176.833 175.900 -0.007 0.000 1.102 49 Y CA -0.131 58.024 58.100 0.092 0.000 1.358 49 Y CB 0.740 39.342 38.460 0.237 0.000 1.213 49 Y HN 0.524 nan 8.280 nan 0.000 0.525 50 c N 1.082 119.762 118.600 0.133 0.000 2.673 50 c HA 0.304 4.892 4.570 0.031 0.000 0.264 50 c C 1.815 176.050 174.090 0.241 0.000 1.304 50 c CA 0.538 56.871 56.329 0.006 0.000 1.727 50 c CB -0.713 41.784 42.510 -0.022 0.000 1.932 50 c HN 1.232 nan 8.230 nan 0.000 0.563 51 G N 0.138 109.198 108.800 0.432 0.000 2.284 51 G HA2 -0.042 3.936 3.960 0.031 0.000 0.201 51 G HA3 -0.042 3.936 3.960 0.031 0.000 0.201 51 G C 0.413 175.461 174.900 0.247 0.000 0.998 51 G CA -0.143 45.203 45.100 0.409 0.000 0.651 51 G HN 0.768 nan 8.290 nan 0.000 0.489 52 G N 0.908 109.847 108.800 0.231 0.000 2.414 52 G HA2 0.518 4.496 3.960 0.031 0.000 0.236 52 G HA3 0.518 4.496 3.960 0.031 0.000 0.236 52 G C 0.005 175.000 174.900 0.158 0.000 1.293 52 G CA 1.186 46.398 45.100 0.186 0.000 0.869 52 G HN 1.015 nan 8.290 nan 0.000 0.556 53 D N -0.363 120.109 120.400 0.121 0.000 2.812 53 D HA 0.217 4.875 4.640 0.031 0.000 0.318 53 D C 0.473 176.849 176.300 0.127 0.000 1.234 53 D CA -0.898 53.126 54.000 0.039 0.000 0.989 53 D CB 0.186 41.015 40.800 0.048 0.000 1.442 53 D HN 0.306 nan 8.370 nan 0.000 0.537 54 W N -0.453 120.918 121.300 0.119 0.000 2.388 54 W HA -0.010 4.667 4.660 0.030 0.000 0.294 54 W C 2.067 178.636 176.519 0.083 0.000 1.212 54 W CA 0.916 58.319 57.345 0.095 0.000 1.271 54 W CB -0.943 28.607 29.460 0.150 0.000 1.126 54 W HN 0.521 nan 8.180 nan 0.000 0.535 55 Q N 0.278 120.248 119.800 0.283 0.000 2.226 55 Q HA -0.066 4.293 4.340 0.031 0.000 0.204 55 Q C 2.289 178.373 176.000 0.141 0.000 0.975 55 Q CA 2.125 58.034 55.803 0.177 0.000 0.866 55 Q CB -0.831 27.985 28.738 0.130 0.000 0.915 55 Q HN 0.169 nan 8.270 nan 0.000 0.440 56 G N -0.299 108.599 108.800 0.163 0.000 2.430 56 G HA2 -0.090 3.889 3.960 0.031 0.000 0.216 56 G HA3 -0.090 3.889 3.960 0.031 0.000 0.216 56 G C 1.363 176.395 174.900 0.221 0.000 1.146 56 G CA 0.527 45.713 45.100 0.143 0.000 0.793 56 G HN 0.397 nan 8.290 nan 0.000 0.537 57 I N 0.540 121.284 120.570 0.290 0.000 2.252 57 I HA -0.083 4.105 4.170 0.031 0.000 0.245 57 I C 2.592 178.805 176.117 0.161 0.000 1.102 57 I CA 0.639 62.116 61.300 0.295 0.000 1.385 57 I CB -0.207 37.900 38.000 0.178 0.000 1.064 57 I HN 0.113 nan 8.210 nan 0.000 0.414 58 I N 1.253 121.889 120.570 0.110 0.000 2.151 58 I HA -0.371 3.818 4.170 0.031 0.000 0.243 58 I C 2.018 178.146 176.117 0.019 0.000 1.080 58 I CA 2.089 63.416 61.300 0.046 0.000 1.339 58 I CB -0.682 37.353 38.000 0.058 0.000 1.039 58 I HN 0.339 nan 8.210 nan 0.000 0.409 59 N N 0.357 119.072 118.700 0.025 0.000 2.289 59 N HA -0.151 4.608 4.740 0.031 0.000 0.184 59 N C 1.587 177.067 175.510 -0.049 0.000 1.016 59 N CA 0.630 53.667 53.050 -0.022 0.000 0.872 59 N CB 0.039 38.499 38.487 -0.044 0.000 0.973 59 N HN 0.266 nan 8.380 nan 0.000 0.433 60 K N 0.789 121.186 120.400 -0.005 0.000 2.365 60 K HA 0.105 4.443 4.320 0.031 0.000 0.197 60 K C 1.718 178.357 176.600 0.065 0.000 1.042 60 K CA 0.283 56.583 56.287 0.022 0.000 0.987 60 K CB 0.162 32.761 32.500 0.165 0.000 0.779 60 K HN 0.317 nan 8.250 nan 0.000 0.484 61 I N 1.263 121.827 120.570 -0.009 0.000 2.277 61 I HA -0.229 3.960 4.170 0.031 0.000 0.243 61 I C 1.691 177.646 176.117 -0.269 0.000 1.094 61 I CA 0.853 62.060 61.300 -0.155 0.000 1.393 61 I CB -0.205 37.665 38.000 -0.217 0.000 1.078 61 I HN 0.082 nan 8.210 nan 0.000 0.417 62 N N 1.172 119.752 118.700 -0.200 0.000 2.244 62 N HA -0.166 4.593 4.740 0.031 0.000 0.183 62 N C 1.135 176.617 175.510 -0.047 0.000 1.016 62 N CA 1.527 54.499 53.050 -0.129 0.000 0.866 62 N CB -0.362 38.100 38.487 -0.041 0.000 0.980 62 N HN 0.516 nan 8.380 nan 0.000 0.430 63 D N -1.761 118.618 120.400 -0.036 0.000 2.339 63 D HA 0.166 4.824 4.640 0.031 0.000 0.217 63 D C 1.148 177.462 176.300 0.022 0.000 1.050 63 D CA 0.557 54.551 54.000 -0.010 0.000 0.856 63 D CB -0.140 40.638 40.800 -0.037 0.000 0.922 63 D HN 0.189 nan 8.370 nan 0.000 0.518 64 G N -0.398 108.417 108.800 0.026 0.000 2.179 64 G HA2 -0.388 3.590 3.960 0.031 0.000 0.220 64 G HA3 -0.388 3.590 3.960 0.031 0.000 0.220 64 G C 0.595 175.550 174.900 0.093 0.000 0.990 64 G CA 0.211 45.340 45.100 0.048 0.000 0.646 64 G HN 0.334 nan 8.290 nan 0.000 0.517 65 Y N 1.015 121.330 120.300 0.025 0.000 2.133 65 Y HA 0.233 4.797 4.550 0.024 0.000 0.287 65 Y C 2.657 178.645 175.900 0.147 0.000 1.134 65 Y CA 2.307 60.480 58.100 0.122 0.000 1.133 65 Y CB -0.323 38.179 38.460 0.070 0.000 0.987 65 Y HN 0.245 nan 8.280 nan 0.000 0.502 66 L N -0.483 120.768 121.223 0.045 0.000 2.109 66 L HA -0.171 4.188 4.340 0.031 0.000 0.207 66 L C 2.496 179.267 176.870 -0.165 0.000 1.086 66 L CA 1.768 56.527 54.840 -0.135 0.000 0.760 66 L CB -0.932 41.109 42.059 -0.029 0.000 0.910 66 L HN 0.388 nan 8.230 nan 0.000 0.437 67 T N -3.524 110.982 114.554 -0.081 0.000 2.904 67 T HA -0.069 4.300 4.350 0.031 0.000 0.267 67 T C 1.913 176.575 174.700 -0.063 0.000 1.059 67 T CA 0.864 62.929 62.100 -0.057 0.000 1.137 67 T CB -0.786 68.081 68.868 -0.001 0.000 0.879 67 T HN 0.364 nan 8.240 nan 0.000 0.467 68 G N 0.571 109.352 108.800 -0.032 0.000 2.498 68 G HA2 -0.047 3.932 3.960 0.031 0.000 0.219 68 G HA3 -0.047 3.932 3.960 0.031 0.000 0.219 68 G C 1.450 176.299 174.900 -0.085 0.000 1.119 68 G CA 0.501 45.618 45.100 0.029 0.000 0.766 68 G HN 0.504 nan 8.290 nan 0.000 0.552 69 M N -0.382 119.012 119.600 -0.344 0.000 2.476 69 M HA 0.240 4.739 4.480 0.031 0.000 0.262 69 M C 1.807 177.886 176.300 -0.369 0.000 1.111 69 M CA 1.062 55.954 55.300 -0.680 0.000 1.127 69 M CB 0.469 32.548 32.600 -0.868 0.000 1.376 69 M HN 0.356 nan 8.290 nan 0.000 0.465 70 G N 1.052 109.717 108.800 -0.225 0.000 2.176 70 G HA2 -0.182 3.796 3.960 0.031 0.000 0.232 70 G HA3 -0.182 3.796 3.960 0.031 0.000 0.232 70 G C 0.030 174.853 174.900 -0.129 0.000 0.986 70 G CA -0.304 44.706 45.100 -0.150 0.000 0.643 70 G HN 0.337 nan 8.290 nan 0.000 0.522 71 I N 2.052 122.530 120.570 -0.154 0.000 2.710 71 I HA 0.266 4.454 4.170 0.031 0.000 0.286 71 I C 1.793 177.884 176.117 -0.042 0.000 1.181 71 I CA 1.613 62.859 61.300 -0.091 0.000 1.430 71 I CB 0.953 38.862 38.000 -0.151 0.000 1.367 71 I HN 0.428 nan 8.210 nan 0.000 0.577 72 T N 1.692 116.243 114.554 -0.004 0.000 3.111 72 T HA 0.655 5.024 4.350 0.031 0.000 0.284 72 T C 0.074 174.794 174.700 0.034 0.000 0.983 72 T CA 0.007 62.100 62.100 -0.011 0.000 0.900 72 T CB 0.266 69.097 68.868 -0.061 0.000 1.132 72 T HN 0.728 nan 8.240 nan 0.000 0.531 73 A N 1.668 124.559 122.820 0.120 0.000 2.589 73 A HA 0.765 5.104 4.320 0.031 0.000 0.296 73 A C -1.039 176.704 177.584 0.265 0.000 1.062 73 A CA -1.186 50.985 52.037 0.223 0.000 0.686 73 A CB 1.149 20.383 19.000 0.391 0.000 1.282 73 A HN 0.743 nan 8.150 nan 0.000 0.404 74 I N -1.886 118.842 120.570 0.263 0.000 2.603 74 I HA 0.868 5.056 4.170 0.031 0.000 0.300 74 I C -1.037 175.282 176.117 0.336 0.000 1.017 74 I CA -0.777 60.684 61.300 0.267 0.000 1.098 74 I CB 2.015 40.103 38.000 0.145 0.000 1.279 74 I HN 0.751 nan 8.210 nan 0.000 0.437 75 W N 8.405 129.769 121.300 0.107 0.000 2.538 75 W HA 0.752 5.433 4.660 0.035 0.000 0.322 75 W C -1.422 175.092 176.519 -0.008 0.000 1.028 75 W CA -1.876 55.518 57.345 0.080 0.000 1.228 75 W CB 0.954 30.498 29.460 0.141 0.000 1.356 75 W HN 0.655 nan 8.180 nan 0.000 0.452 76 I N 2.369 123.055 120.570 0.194 0.000 2.910 76 I HA 0.660 4.848 4.170 0.031 0.000 0.310 76 I C 0.335 176.381 176.117 -0.119 0.000 1.043 76 I CA -1.065 60.205 61.300 -0.050 0.000 1.053 76 I CB 1.712 39.722 38.000 0.016 0.000 1.242 76 I HN 0.194 nan 8.210 nan 0.000 0.452 77 S N 1.842 117.334 115.700 -0.345 0.000 2.563 77 S HA -0.031 4.458 4.470 0.031 0.000 0.284 77 S C 0.008 174.504 174.600 -0.172 0.000 1.331 77 S CA -0.321 57.623 58.200 -0.427 0.000 1.047 77 S CB 0.314 63.177 63.200 -0.562 0.000 0.859 77 S HN 0.728 nan 8.310 nan 0.000 0.514 78 Q N 3.315 122.991 119.800 -0.207 0.000 2.308 78 Q HA -0.037 4.322 4.340 0.031 0.000 0.313 78 Q C -1.525 174.460 176.000 -0.025 0.000 1.075 78 Q CA -0.851 54.874 55.803 -0.130 0.000 0.995 78 Q CB 0.557 29.184 28.738 -0.185 0.000 1.107 78 Q HN 0.359 nan 8.270 nan 0.000 0.380 79 P HA -0.019 nan 4.420 nan 0.000 0.251 79 P C 0.354 177.670 177.300 0.028 0.000 1.223 79 P CA 0.265 63.423 63.100 0.096 0.000 0.796 79 P CB -0.003 31.526 31.700 -0.285 0.000 1.068 80 V N -1.800 118.046 119.914 -0.114 0.000 3.264 80 V HA 0.279 4.418 4.120 0.031 0.000 0.304 80 V C 0.447 176.517 176.094 -0.041 0.000 1.086 80 V CA -0.980 61.346 62.300 0.043 0.000 1.090 80 V CB 0.223 32.066 31.823 0.034 0.000 1.112 80 V HN -0.058 nan 8.190 nan 0.000 0.472 81 E N 2.174 122.367 120.200 -0.011 0.000 2.366 81 E HA 0.139 4.508 4.350 0.031 0.000 0.266 81 E C -0.195 176.268 176.600 -0.228 0.000 1.015 81 E CA -0.039 56.290 56.400 -0.117 0.000 0.906 81 E CB 0.289 29.968 29.700 -0.035 0.000 0.979 81 E HN 0.852 nan 8.360 nan 0.000 0.443 82 N N 3.209 121.705 118.700 -0.341 0.000 2.477 82 N HA 0.266 5.025 4.740 0.031 0.000 0.284 82 N C 0.040 175.291 175.510 -0.433 0.000 1.182 82 N CA -0.729 52.141 53.050 -0.300 0.000 0.949 82 N CB 1.001 39.335 38.487 -0.254 0.000 1.204 82 N HN 0.470 nan 8.380 nan 0.000 0.526 83 I N -0.611 119.843 120.570 -0.193 0.000 2.815 83 I HA -0.084 4.105 4.170 0.031 0.000 0.291 83 I C 0.129 176.094 176.117 -0.253 0.000 1.209 83 I CA 0.167 61.372 61.300 -0.158 0.000 1.431 83 I CB 0.195 38.197 38.000 0.003 0.000 1.351 83 I HN 0.591 nan 8.210 nan 0.000 0.585 84 Y N 2.641 122.953 120.300 0.020 0.000 2.523 84 Y HA 0.114 4.683 4.550 0.031 0.000 0.279 84 Y C 1.557 177.476 175.900 0.033 0.000 1.139 84 Y CA 0.016 58.123 58.100 0.012 0.000 1.296 84 Y CB -0.321 38.118 38.460 -0.035 0.000 1.045 84 Y HN 0.599 nan 8.280 nan 0.000 0.538 85 S N 0.670 116.444 115.700 0.123 0.000 2.552 85 S HA 0.137 4.626 4.470 0.031 0.000 0.289 85 S C -0.001 174.648 174.600 0.082 0.000 1.304 85 S CA -0.418 57.812 58.200 0.050 0.000 1.063 85 S CB 0.906 64.060 63.200 -0.077 0.000 0.848 85 S HN -0.048 nan 8.310 nan 0.000 0.499 86 V N 4.687 124.637 119.914 0.060 0.000 2.407 86 V HA 0.359 4.498 4.120 0.031 0.000 0.278 86 V C 0.147 176.236 176.094 -0.008 0.000 1.037 86 V CA -0.422 61.925 62.300 0.078 0.000 0.900 86 V CB 0.714 32.585 31.823 0.080 0.000 0.983 86 V HN 0.709 nan 8.190 nan 0.000 0.459 87 I N 4.078 124.627 120.570 -0.036 0.000 2.412 87 I HA 0.371 4.560 4.170 0.031 0.000 0.296 87 I C -0.053 175.939 176.117 -0.208 0.000 0.987 87 I CA -0.485 60.685 61.300 -0.217 0.000 1.180 87 I CB 1.682 39.426 38.000 -0.426 0.000 1.340 87 I HN 0.558 nan 8.210 nan 0.000 0.455 88 N N 5.005 123.592 118.700 -0.189 0.000 2.546 88 N HA 0.248 5.007 4.740 0.031 0.000 0.238 88 N C -1.508 173.946 175.510 -0.095 0.000 0.984 88 N CA -0.324 52.675 53.050 -0.086 0.000 0.935 88 N CB 0.360 38.842 38.487 -0.009 0.000 1.122 88 N HN 0.246 nan 8.380 nan 0.000 0.510 89 Y N 2.378 122.744 120.300 0.109 0.000 2.518 89 Y HA 0.135 4.703 4.550 0.030 0.000 0.344 89 Y C 0.639 176.569 175.900 0.050 0.000 0.982 89 Y CA -0.991 57.156 58.100 0.078 0.000 1.234 89 Y CB 0.243 38.753 38.460 0.084 0.000 1.114 89 Y HN 0.647 nan 8.280 nan 0.000 0.515 90 S N 1.072 116.879 115.700 0.178 0.000 3.477 90 S HA -0.213 4.276 4.470 0.031 0.000 0.371 90 S C 1.101 175.748 174.600 0.078 0.000 0.965 90 S CA 0.851 59.111 58.200 0.100 0.000 1.239 90 S CB -1.991 61.259 63.200 0.083 0.000 0.918 90 S HN 1.969 nan 8.310 nan 0.000 0.498 91 G N -2.110 106.731 108.800 0.069 0.000 2.175 91 G HA2 -0.128 3.851 3.960 0.031 0.000 0.244 91 G HA3 -0.128 3.851 3.960 0.031 0.000 0.244 91 G C 0.027 174.964 174.900 0.061 0.000 0.982 91 G CA -0.135 44.997 45.100 0.052 0.000 0.641 91 G HN 1.806 nan 8.290 nan 0.000 0.527 92 V N 0.858 120.827 119.914 0.092 0.000 2.409 92 V HA 0.424 4.563 4.120 0.031 0.000 0.291 92 V C 0.313 176.475 176.094 0.112 0.000 1.020 92 V CA -1.020 61.341 62.300 0.101 0.000 0.848 92 V CB 1.508 33.408 31.823 0.128 0.000 0.990 92 V HN 0.349 nan 8.190 nan 0.000 0.430 93 N N 3.847 122.598 118.700 0.085 0.000 2.529 93 N HA 0.363 5.121 4.740 0.031 0.000 0.278 93 N C -0.699 174.885 175.510 0.124 0.000 1.146 93 N CA -0.336 52.762 53.050 0.079 0.000 0.980 93 N CB 0.702 39.225 38.487 0.060 0.000 1.124 93 N HN 0.678 nan 8.380 nan 0.000 0.458 94 N N 0.495 119.288 118.700 0.154 0.000 2.235 94 N HA 0.307 5.066 4.740 0.031 0.000 0.293 94 N C -1.424 174.247 175.510 0.268 0.000 1.083 94 N CA -0.249 52.962 53.050 0.268 0.000 0.801 94 N CB 2.458 41.232 38.487 0.478 0.000 1.559 94 N HN 0.348 nan 8.380 nan 0.000 0.472 95 T N 0.028 114.690 114.554 0.179 0.000 2.916 95 T HA 0.487 4.855 4.350 0.031 0.000 0.292 95 T C 0.094 174.578 174.700 -0.361 0.000 1.064 95 T CA -0.290 61.860 62.100 0.083 0.000 1.011 95 T CB 1.398 70.323 68.868 0.095 0.000 1.152 95 T HN 0.484 nan 8.240 nan 0.000 0.510 96 A N 1.656 124.232 122.820 -0.407 0.000 2.543 96 A HA 0.198 4.537 4.320 0.031 0.000 0.258 96 A C 1.264 178.184 177.584 -1.107 0.000 1.391 96 A CA 0.064 51.539 52.037 -0.936 0.000 1.066 96 A CB -1.373 17.457 19.000 -0.285 0.000 0.972 96 A HN 0.926 nan 8.150 nan 0.000 0.560 97 Y N -0.345 119.165 120.300 -1.316 0.000 2.298 97 Y HA -0.320 4.249 4.550 0.031 0.000 0.287 97 Y C 1.821 177.434 175.900 -0.479 0.000 1.164 97 Y CA 1.722 59.073 58.100 -1.248 0.000 1.229 97 Y CB -1.041 36.872 38.460 -0.913 0.000 0.977 97 Y HN 0.647 nan 8.280 nan 0.000 0.538 98 H N -1.286 117.068 119.070 -1.194 0.000 2.555 98 H HA 0.352 4.926 4.556 0.030 0.000 0.269 98 H C 1.985 176.811 175.328 -0.836 0.000 0.988 98 H CA -0.217 55.281 56.048 -0.916 0.000 1.178 98 H CB -0.544 28.738 29.762 -0.800 0.000 1.373 98 H HN 0.450 nan 8.280 nan 0.000 0.588 99 G N 0.066 108.575 108.800 -0.485 0.000 2.212 99 G HA2 -0.409 3.570 3.960 0.031 0.000 0.266 99 G HA3 -0.409 3.570 3.960 0.031 0.000 0.266 99 G C 0.544 175.242 174.900 -0.336 0.000 0.978 99 G CA 0.585 45.472 45.100 -0.354 0.000 0.632 99 G HN 0.536 nan 8.290 nan 0.000 0.537 100 Y N -1.139 119.178 120.300 0.028 0.000 2.578 100 Y HA 0.292 4.859 4.550 0.030 0.000 0.297 100 Y C 0.991 177.095 175.900 0.339 0.000 1.176 100 Y CA -0.009 58.144 58.100 0.089 0.000 1.315 100 Y CB 0.150 38.616 38.460 0.010 0.000 1.031 100 Y HN 0.383 nan 8.280 nan 0.000 0.524 101 W N 1.182 122.592 121.300 0.183 0.000 2.101 101 W HA 0.680 5.360 4.660 0.033 0.000 0.301 101 W C -0.032 176.448 176.519 -0.065 0.000 0.846 101 W CA -2.222 55.186 57.345 0.106 0.000 1.823 101 W CB -0.428 29.085 29.460 0.088 0.000 2.007 101 W HN -0.189 nan 8.180 nan 0.000 0.373 102 A N 2.471 125.308 122.820 0.029 0.000 2.462 102 A HA 0.405 4.743 4.320 0.031 0.000 0.243 102 A C 1.357 178.819 177.584 -0.203 0.000 1.076 102 A CA 0.063 51.916 52.037 -0.307 0.000 0.773 102 A CB 0.553 18.962 19.000 -0.985 0.000 1.010 102 A HN 0.665 nan 8.150 nan 0.000 0.493 103 R N 0.618 121.020 120.500 -0.165 0.000 2.342 103 R HA 0.268 4.626 4.340 0.031 0.000 0.204 103 R C -0.703 175.659 176.300 0.104 0.000 0.882 103 R CA 0.079 56.199 56.100 0.034 0.000 1.041 103 R CB 0.526 30.909 30.300 0.138 0.000 1.188 103 R HN 0.528 nan 8.270 nan 0.000 0.598 104 D N 0.053 120.456 120.400 0.005 0.000 2.575 104 D HA 0.194 4.853 4.640 0.031 0.000 0.250 104 D C -0.552 175.864 176.300 0.193 0.000 1.279 104 D CA -0.714 53.410 54.000 0.208 0.000 0.925 104 D CB 1.190 42.119 40.800 0.216 0.000 1.261 104 D HN -0.008 nan 8.370 nan 0.000 0.567 105 F N 1.813 122.006 119.950 0.406 0.000 2.748 105 F HA 0.143 4.688 4.527 0.031 0.000 0.299 105 F C 2.102 178.192 175.800 0.484 0.000 1.154 105 F CA 0.475 58.705 58.000 0.383 0.000 1.446 105 F CB 0.380 39.563 39.000 0.305 0.000 1.112 105 F HN 0.126 nan 8.300 nan 0.000 0.584 106 K N -0.330 120.363 120.400 0.489 0.000 2.358 106 K HA 0.139 4.477 4.320 0.031 0.000 0.197 106 K C 0.347 177.062 176.600 0.192 0.000 1.025 106 K CA 0.215 56.665 56.287 0.272 0.000 1.104 106 K CB 0.495 33.118 32.500 0.206 0.000 0.855 106 K HN 0.104 nan 8.250 nan 0.000 0.531 107 K N 0.720 121.291 120.400 0.286 0.000 2.400 107 K HA 0.216 4.555 4.320 0.031 0.000 0.246 107 K C -0.249 176.549 176.600 0.329 0.000 0.995 107 K CA -0.611 55.806 56.287 0.218 0.000 0.840 107 K CB 1.990 34.581 32.500 0.151 0.000 1.293 107 K HN -0.041 nan 8.250 nan 0.000 0.445 108 T N -1.331 113.403 114.554 0.301 0.000 2.874 108 T HA 0.162 4.531 4.350 0.031 0.000 0.281 108 T C 0.228 175.005 174.700 0.128 0.000 0.994 108 T CA -0.804 61.513 62.100 0.362 0.000 1.015 108 T CB 0.804 69.969 68.868 0.494 0.000 1.028 108 T HN 0.438 nan 8.240 nan 0.000 0.523 109 N N 2.718 121.412 118.700 -0.011 0.000 2.405 109 N HA 0.167 4.925 4.740 0.031 0.000 0.260 109 N C -1.315 174.023 175.510 -0.288 0.000 1.152 109 N CA -2.350 50.537 53.050 -0.271 0.000 0.948 109 N CB 1.015 39.134 38.487 -0.612 0.000 1.111 109 N HN 0.397 nan 8.380 nan 0.000 0.485 110 P HA -0.140 nan 4.420 nan 0.000 0.221 110 P C 0.767 177.940 177.300 -0.212 0.000 1.145 110 P CA 0.869 63.894 63.100 -0.124 0.000 0.795 110 P CB 0.208 31.887 31.700 -0.035 0.000 0.775 111 A N -1.151 121.467 122.820 -0.338 0.000 1.969 111 A HA -0.170 4.169 4.320 0.031 0.000 0.218 111 A C 2.009 179.472 177.584 -0.202 0.000 1.169 111 A CA 1.098 52.931 52.037 -0.340 0.000 0.635 111 A CB -1.333 17.321 19.000 -0.578 0.000 0.810 111 A HN 0.074 nan 8.150 nan 0.000 0.445 112 Y N -0.766 119.240 120.300 -0.490 0.000 2.231 112 Y HA 0.380 4.949 4.550 0.032 0.000 0.294 112 Y C 1.581 176.909 175.900 -0.953 0.000 1.120 112 Y CA 0.182 57.730 58.100 -0.919 0.000 1.141 112 Y CB -0.698 36.855 38.460 -1.513 0.000 1.022 112 Y HN 0.405 nan 8.280 nan 0.000 0.523 113 G N -1.234 107.220 108.800 -0.578 0.000 2.324 113 G HA2 0.334 4.312 3.960 0.031 0.000 0.293 113 G HA3 0.334 4.312 3.960 0.031 0.000 0.293 113 G C -0.835 174.194 174.900 0.215 0.000 1.297 113 G CA -0.487 44.608 45.100 -0.009 0.000 0.853 113 G HN 0.141 nan 8.290 nan 0.000 0.535 114 T N -1.389 113.364 114.554 0.331 0.000 2.847 114 T HA 0.446 4.815 4.350 0.031 0.000 0.279 114 T C 1.769 176.734 174.700 0.441 0.000 0.984 114 T CA -0.322 61.958 62.100 0.300 0.000 0.988 114 T CB 1.057 70.039 68.868 0.190 0.000 1.040 114 T HN 0.363 nan 8.240 nan 0.000 0.528 115 M N 0.153 119.942 119.600 0.314 0.000 2.144 115 M HA -0.142 4.356 4.480 0.031 0.000 0.260 115 M C 2.279 178.743 176.300 0.275 0.000 1.067 115 M CA 1.745 57.215 55.300 0.282 0.000 1.095 115 M CB -1.333 31.355 32.600 0.148 0.000 1.365 115 M HN 0.825 nan 8.290 nan 0.000 0.406 116 Q N 0.758 120.688 119.800 0.217 0.000 2.119 116 Q HA -0.124 4.235 4.340 0.031 0.000 0.201 116 Q C 1.396 177.512 176.000 0.193 0.000 0.972 116 Q CA 1.592 57.495 55.803 0.167 0.000 0.847 116 Q CB -0.194 28.619 28.738 0.125 0.000 0.903 116 Q HN 0.444 nan 8.270 nan 0.000 0.433 117 D N -0.776 119.798 120.400 0.290 0.000 2.178 117 D HA -0.133 4.526 4.640 0.031 0.000 0.202 117 D C 1.540 178.004 176.300 0.273 0.000 0.974 117 D CA 0.649 54.844 54.000 0.324 0.000 0.841 117 D CB -0.223 40.872 40.800 0.492 0.000 0.953 117 D HN 0.291 nan 8.370 nan 0.000 0.478 118 F N 1.772 121.783 119.950 0.102 0.000 2.113 118 F HA -0.162 4.383 4.527 0.030 0.000 0.297 118 F C 2.287 177.985 175.800 -0.172 0.000 1.103 118 F CA 1.287 59.093 58.000 -0.324 0.000 1.248 118 F CB 0.232 39.044 39.000 -0.313 0.000 0.999 118 F HN -0.239 nan 8.300 nan 0.000 0.475 119 K N 0.532 120.923 120.400 -0.014 0.000 2.026 119 K HA -0.180 4.159 4.320 0.031 0.000 0.208 119 K C 1.617 178.139 176.600 -0.131 0.000 1.048 119 K CA 2.109 58.345 56.287 -0.085 0.000 0.929 119 K CB -0.453 32.065 32.500 0.029 0.000 0.713 119 K HN 0.382 nan 8.250 nan 0.000 0.439 120 N N 0.410 119.079 118.700 -0.052 0.000 2.149 120 N HA -0.190 4.569 4.740 0.031 0.000 0.188 120 N C 1.593 177.037 175.510 -0.110 0.000 1.019 120 N CA 0.768 53.792 53.050 -0.044 0.000 0.857 120 N CB -0.101 38.400 38.487 0.023 0.000 0.997 120 N HN 0.021 nan 8.380 nan 0.000 0.426 121 L N 1.376 122.481 121.223 -0.197 0.000 2.005 121 L HA -0.086 4.273 4.340 0.031 0.000 0.207 121 L C 1.867 178.511 176.870 -0.378 0.000 1.072 121 L CA 1.424 56.104 54.840 -0.267 0.000 0.744 121 L CB -0.550 41.266 42.059 -0.405 0.000 0.895 121 L HN 0.138 nan 8.230 nan 0.000 0.433 122 I N 0.159 120.387 120.570 -0.569 0.000 2.118 122 I HA -0.312 3.877 4.170 0.031 0.000 0.241 122 I C 2.256 178.057 176.117 -0.528 0.000 1.070 122 I CA 1.659 62.570 61.300 -0.649 0.000 1.327 122 I CB -1.410 36.225 38.000 -0.607 0.000 1.034 122 I HN 0.348 nan 8.210 nan 0.000 0.405 123 D N 0.538 120.777 120.400 -0.269 0.000 2.097 123 D HA -0.138 4.521 4.640 0.031 0.000 0.195 123 D C 2.160 178.430 176.300 -0.050 0.000 0.989 123 D CA 1.737 55.670 54.000 -0.112 0.000 0.827 123 D CB -0.437 40.335 40.800 -0.046 0.000 0.966 123 D HN 0.274 nan 8.370 nan 0.000 0.456 124 T N 0.809 115.342 114.554 -0.035 0.000 2.803 124 T HA -0.108 4.261 4.350 0.031 0.000 0.269 124 T C 1.955 176.730 174.700 0.125 0.000 1.052 124 T CA 1.394 63.541 62.100 0.077 0.000 1.136 124 T CB -0.189 68.701 68.868 0.037 0.000 0.864 124 T HN 0.205 nan 8.240 nan 0.000 0.467 125 A N 1.276 124.077 122.820 -0.031 0.000 1.872 125 A HA -0.124 4.214 4.320 0.031 0.000 0.214 125 A C 2.094 179.739 177.584 0.102 0.000 1.187 125 A CA 1.297 53.328 52.037 -0.010 0.000 0.614 125 A CB -0.763 18.158 19.000 -0.132 0.000 0.826 125 A HN 0.452 nan 8.150 nan 0.000 0.442 126 H N -0.036 119.038 119.070 0.006 0.000 2.387 126 H HA 0.033 4.608 4.556 0.031 0.000 0.299 126 H C 2.406 177.727 175.328 -0.011 0.000 1.090 126 H CA 1.020 57.062 56.048 -0.011 0.000 1.332 126 H CB -0.730 29.015 29.762 -0.030 0.000 1.386 126 H HN 0.487 nan 8.280 nan 0.000 0.516 127 A N 0.292 123.182 122.820 0.116 0.000 2.125 127 A HA -0.162 4.177 4.320 0.031 0.000 0.219 127 A C 0.861 178.362 177.584 -0.138 0.000 1.156 127 A CA 1.426 53.447 52.037 -0.026 0.000 0.671 127 A CB -0.454 18.501 19.000 -0.076 0.000 0.794 127 A HN 0.492 nan 8.150 nan 0.000 0.459 128 H N -0.973 118.108 119.070 0.017 0.000 2.567 128 H HA 0.222 4.798 4.556 0.032 0.000 0.267 128 H C -0.147 175.181 175.328 -0.000 0.000 1.148 128 H CA -0.361 55.690 56.048 0.004 0.000 1.031 128 H CB 0.135 29.899 29.762 0.003 0.000 1.691 128 H HN 0.374 nan 8.280 nan 0.000 0.588 129 N N 0.874 119.629 118.700 0.092 0.000 2.725 129 N HA -0.185 4.573 4.740 0.031 0.000 0.251 129 N C -0.868 174.665 175.510 0.038 0.000 1.031 129 N CA 0.724 53.797 53.050 0.038 0.000 0.720 129 N CB -1.276 37.207 38.487 -0.007 0.000 0.930 129 N HN 0.458 nan 8.380 nan 0.000 0.543 130 I N 0.548 121.170 120.570 0.087 0.000 2.406 130 I HA 0.219 4.408 4.170 0.031 0.000 0.290 130 I C 0.600 176.798 176.117 0.136 0.000 0.999 130 I CA -0.590 60.756 61.300 0.077 0.000 1.124 130 I CB 1.551 39.588 38.000 0.062 0.000 1.289 130 I HN -0.134 nan 8.210 nan 0.000 0.441 131 K N 4.349 124.816 120.400 0.112 0.000 2.090 131 K HA 0.652 4.990 4.320 0.031 0.000 0.250 131 K C -1.045 175.702 176.600 0.245 0.000 1.004 131 K CA -0.692 55.710 56.287 0.192 0.000 0.919 131 K CB 1.612 34.160 32.500 0.079 0.000 1.045 131 K HN 0.233 nan 8.250 nan 0.000 0.471 132 V N 3.263 123.335 119.914 0.262 0.000 2.443 132 V HA 0.349 4.488 4.120 0.031 0.000 0.293 132 V C -0.477 175.762 176.094 0.242 0.000 1.021 132 V CA -0.711 61.695 62.300 0.177 0.000 0.848 132 V CB 1.186 33.005 31.823 -0.005 0.000 0.998 132 V HN 0.584 nan 8.190 nan 0.000 0.424 133 I N 6.218 126.938 120.570 0.250 0.000 2.412 133 I HA 0.563 4.752 4.170 0.031 0.000 0.296 133 I C -0.156 176.071 176.117 0.183 0.000 0.987 133 I CA -0.612 60.798 61.300 0.184 0.000 1.180 133 I CB 1.737 39.810 38.000 0.122 0.000 1.340 133 I HN 0.609 nan 8.210 nan 0.000 0.455 134 I N 1.334 121.972 120.570 0.113 0.000 2.562 134 I HA 0.559 4.747 4.170 0.031 0.000 0.301 134 I C -0.627 175.526 176.117 0.060 0.000 1.003 134 I CA -0.819 60.543 61.300 0.104 0.000 1.127 134 I CB 1.608 39.631 38.000 0.037 0.000 1.304 134 I HN 0.306 nan 8.210 nan 0.000 0.446 135 D N 3.922 124.379 120.400 0.097 0.000 2.372 135 D HA 0.332 4.991 4.640 0.031 0.000 0.243 135 D C -1.319 175.060 176.300 0.132 0.000 1.121 135 D CA 0.680 54.733 54.000 0.089 0.000 0.898 135 D CB 1.303 42.142 40.800 0.066 0.000 1.202 135 D HN 0.514 nan 8.370 nan 0.000 0.428 136 F N 0.447 120.393 119.950 -0.007 0.000 2.573 136 F HA 0.477 5.023 4.527 0.031 0.000 0.316 136 F C -0.979 174.878 175.800 0.096 0.000 1.148 136 F CA -0.713 57.315 58.000 0.046 0.000 0.940 136 F CB 1.509 40.549 39.000 0.067 0.000 1.214 136 F HN 0.300 nan 8.300 nan 0.000 0.448 137 A N 7.349 129.968 122.820 -0.335 0.000 2.938 137 A HA 0.459 4.797 4.320 0.031 0.000 0.344 137 A C -2.438 174.970 177.584 -0.294 0.000 1.142 137 A CA -1.165 50.760 52.037 -0.186 0.000 0.841 137 A CB -0.193 18.775 19.000 -0.054 0.000 1.083 137 A HN 0.479 nan 8.150 nan 0.000 0.479 138 P HA 0.014 nan 4.420 nan 0.000 0.257 138 P C 0.520 177.738 177.300 -0.136 0.000 1.281 138 P CA 0.347 63.246 63.100 -0.334 0.000 0.826 138 P CB 0.235 31.768 31.700 -0.278 0.000 1.237 139 N N 0.959 119.582 118.700 -0.129 0.000 2.354 139 N HA -0.104 4.655 4.740 0.031 0.000 0.179 139 N C 0.280 175.820 175.510 0.050 0.000 1.021 139 N CA 0.672 53.741 53.050 0.031 0.000 0.887 139 N CB -0.232 38.323 38.487 0.114 0.000 0.974 139 N HN 0.316 nan 8.380 nan 0.000 0.437 140 H N -4.868 114.259 119.070 0.095 0.000 3.037 140 H HA 0.415 4.989 4.556 0.031 0.000 0.355 140 H C 0.541 175.987 175.328 0.198 0.000 1.263 140 H CA -0.385 55.724 56.048 0.102 0.000 1.129 140 H CB 0.652 30.449 29.762 0.058 0.000 1.861 140 H HN -0.070 nan 8.280 nan 0.000 0.546 141 T N -0.776 113.990 114.554 0.355 0.000 3.401 141 T HA 0.396 4.765 4.350 0.031 0.000 0.225 141 T C 0.598 175.456 174.700 0.263 0.000 0.961 141 T CA 0.821 63.086 62.100 0.275 0.000 1.429 141 T CB -0.728 68.293 68.868 0.256 0.000 1.213 141 T HN 0.991 nan 8.240 nan 0.000 0.440 142 S N 0.536 116.274 115.700 0.063 0.000 2.705 142 S HA 0.619 5.107 4.470 0.031 0.000 0.280 142 S C -3.352 171.061 174.600 -0.313 0.000 1.174 142 S CA -1.595 56.531 58.200 -0.124 0.000 0.823 142 S CB 0.931 64.075 63.200 -0.093 0.000 1.162 142 S HN 0.179 nan 8.310 nan 0.000 0.487 143 P HA 0.373 nan 4.420 nan 0.000 0.258 143 P C -0.988 176.221 177.300 -0.152 0.000 1.172 143 P CA 0.707 63.630 63.100 -0.294 0.000 0.762 143 P CB 0.165 31.622 31.700 -0.404 0.000 0.764 144 A N 2.880 125.678 122.820 -0.038 0.000 2.556 144 A HA 0.741 5.079 4.320 0.031 0.000 0.294 144 A C -0.891 176.737 177.584 0.073 0.000 1.091 144 A CA -0.492 51.528 52.037 -0.028 0.000 0.704 144 A CB 1.762 20.510 19.000 -0.420 0.000 1.300 144 A HN 0.321 nan 8.150 nan 0.000 0.406 145 S N -0.054 115.772 115.700 0.210 0.000 2.672 145 S HA 0.468 4.957 4.470 0.031 0.000 0.291 145 S C 0.941 175.679 174.600 0.229 0.000 1.145 145 S CA 0.206 58.493 58.200 0.144 0.000 1.013 145 S CB 1.150 64.356 63.200 0.009 0.000 1.017 145 S HN 1.659 nan 8.310 nan 0.000 0.487 146 S N 3.236 119.110 115.700 0.291 0.000 2.406 146 S HA -0.075 4.414 4.470 0.031 0.000 0.228 146 S C 1.086 175.687 174.600 0.000 0.000 1.020 146 S CA 0.918 59.160 58.200 0.070 0.000 0.965 146 S CB -0.377 62.711 63.200 -0.187 0.000 0.798 146 S HN 0.748 nan 8.310 nan 0.000 0.488 147 D N 1.854 122.259 120.400 0.009 0.000 2.178 147 D HA 0.009 4.667 4.640 0.031 0.000 0.202 147 D C 0.090 176.386 176.300 -0.006 0.000 0.974 147 D CA 1.150 55.139 54.000 -0.018 0.000 0.841 147 D CB -0.193 40.591 40.800 -0.026 0.000 0.953 147 D HN 0.456 nan 8.370 nan 0.000 0.478 148 D N -0.352 120.060 120.400 0.020 0.000 2.432 148 D HA 0.118 4.776 4.640 0.031 0.000 0.265 148 D C -1.864 174.482 176.300 0.076 0.000 1.160 148 D CA -2.114 51.908 54.000 0.037 0.000 0.911 148 D CB 1.480 42.299 40.800 0.031 0.000 1.052 148 D HN -0.117 nan 8.370 nan 0.000 0.508 149 P HA -0.154 nan 4.420 nan 0.000 0.224 149 P C 0.942 178.269 177.300 0.044 0.000 1.142 149 P CA 0.743 63.867 63.100 0.040 0.000 0.778 149 P CB 0.146 31.853 31.700 0.012 0.000 0.764 150 S N -1.828 113.907 115.700 0.058 0.000 2.528 150 S HA 0.007 4.496 4.470 0.031 0.000 0.219 150 S C 0.507 175.142 174.600 0.057 0.000 0.985 150 S CA -0.644 57.581 58.200 0.043 0.000 0.914 150 S CB -1.193 62.030 63.200 0.039 0.000 0.776 150 S HN 0.066 nan 8.310 nan 0.000 0.526 151 F N 3.593 123.516 119.950 -0.045 0.000 2.504 151 F HA 0.472 5.017 4.527 0.031 0.000 0.369 151 F C 1.084 176.833 175.800 -0.085 0.000 1.082 151 F CA 0.033 57.991 58.000 -0.069 0.000 1.216 151 F CB 0.023 38.980 39.000 -0.072 0.000 1.108 151 F HN 0.500 nan 8.300 nan 0.000 0.554 152 A N 4.706 127.001 122.820 -0.875 0.000 5.395 152 A HA -0.371 3.968 4.320 0.031 0.000 0.324 152 A C 0.961 178.343 177.584 -0.337 0.000 1.813 152 A CA 1.613 53.220 52.037 -0.717 0.000 0.714 152 A CB -1.361 16.997 19.000 -1.071 0.000 1.374 152 A HN 0.834 nan 8.150 nan 0.000 0.390 153 E N 1.160 121.209 120.200 -0.251 0.000 2.499 153 E HA 0.219 4.588 4.350 0.031 0.000 0.207 153 E C 0.373 176.923 176.600 -0.084 0.000 1.034 153 E CA 0.348 56.692 56.400 -0.094 0.000 1.098 153 E CB -0.210 29.489 29.700 -0.001 0.000 1.148 153 E HN 0.650 nan 8.360 nan 0.000 0.447 154 N N 0.943 119.572 118.700 -0.119 0.000 2.701 154 N HA -0.255 4.504 4.740 0.031 0.000 0.250 154 N C 0.677 176.112 175.510 -0.125 0.000 1.046 154 N CA 0.445 53.453 53.050 -0.070 0.000 0.733 154 N CB -0.832 37.644 38.487 -0.019 0.000 0.973 154 N HN 0.588 nan 8.380 nan 0.000 0.541 155 G N 0.095 108.794 108.800 -0.169 0.000 2.258 155 G HA2 -0.361 3.618 3.960 0.031 0.000 0.274 155 G HA3 -0.361 3.618 3.960 0.031 0.000 0.274 155 G C 0.217 175.087 174.900 -0.051 0.000 1.021 155 G CA 0.772 45.760 45.100 -0.188 0.000 0.798 155 G HN 0.666 nan 8.290 nan 0.000 0.507 156 R N -1.031 119.463 120.500 -0.011 0.000 2.570 156 R HA 0.381 4.740 4.340 0.031 0.000 0.277 156 R C 0.150 176.457 176.300 0.010 0.000 1.039 156 R CA -0.358 55.738 56.100 -0.008 0.000 1.065 156 R CB 0.568 30.805 30.300 -0.106 0.000 0.964 156 R HN 0.235 nan 8.270 nan 0.000 0.428 157 L N 4.290 125.486 121.223 -0.045 0.000 2.296 157 L HA 0.371 4.729 4.340 0.031 0.000 0.286 157 L C -1.372 175.336 176.870 -0.269 0.000 1.023 157 L CA -0.332 54.483 54.840 -0.041 0.000 0.812 157 L CB 0.879 42.916 42.059 -0.037 0.000 1.223 157 L HN 0.430 nan 8.230 nan 0.000 0.421 158 Y N 2.002 122.316 120.300 0.023 0.000 2.602 158 Y HA 0.540 5.109 4.550 0.031 0.000 0.330 158 Y C -0.361 175.567 175.900 0.047 0.000 1.114 158 Y CA -0.653 57.463 58.100 0.027 0.000 1.182 158 Y CB 1.570 40.076 38.460 0.076 0.000 1.305 158 Y HN 0.517 nan 8.280 nan 0.000 0.502 159 D N 1.489 122.046 120.400 0.261 0.000 2.389 159 D HA 0.135 4.793 4.640 0.031 0.000 0.256 159 D C -0.609 175.863 176.300 0.288 0.000 1.239 159 D CA -0.338 53.859 54.000 0.328 0.000 0.925 159 D CB 0.026 40.936 40.800 0.183 0.000 1.145 159 D HN 0.567 nan 8.370 nan 0.000 0.542 160 N N 3.230 122.109 118.700 0.299 0.000 2.707 160 N HA -0.252 4.507 4.740 0.031 0.000 0.253 160 N C 0.926 176.523 175.510 0.145 0.000 0.998 160 N CA 1.764 54.928 53.050 0.191 0.000 0.751 160 N CB -0.907 37.668 38.487 0.148 0.000 0.920 160 N HN 0.920 nan 8.380 nan 0.000 0.539 161 G N -1.209 107.684 108.800 0.155 0.000 2.254 161 G HA2 -0.263 3.716 3.960 0.031 0.000 0.225 161 G HA3 -0.263 3.716 3.960 0.031 0.000 0.225 161 G C -0.036 175.003 174.900 0.232 0.000 1.003 161 G CA 0.159 45.311 45.100 0.087 0.000 0.622 161 G HN 0.516 nan 8.290 nan 0.000 0.507 162 N N 0.907 119.767 118.700 0.268 0.000 2.434 162 N HA 0.408 5.167 4.740 0.031 0.000 0.272 162 N C -0.040 175.611 175.510 0.236 0.000 1.040 162 N CA -0.438 52.754 53.050 0.237 0.000 0.956 162 N CB 1.611 40.176 38.487 0.131 0.000 1.108 162 N HN 0.240 nan 8.380 nan 0.000 0.481 163 L N 3.220 124.524 121.223 0.134 0.000 2.462 163 L HA -0.047 4.311 4.340 0.031 0.000 0.272 163 L C 1.006 177.784 176.870 -0.152 0.000 1.166 163 L CA -0.177 54.543 54.840 -0.200 0.000 0.880 163 L CB 0.700 42.659 42.059 -0.166 0.000 1.142 163 L HN 0.477 nan 8.230 nan 0.000 0.473 164 L N 3.981 125.065 121.223 -0.231 0.000 2.221 164 L HA 0.410 4.769 4.340 0.031 0.000 0.202 164 L C 0.889 177.677 176.870 -0.136 0.000 1.074 164 L CA 0.953 55.685 54.840 -0.179 0.000 0.795 164 L CB -0.314 41.587 42.059 -0.264 0.000 0.960 164 L HN 0.759 nan 8.230 nan 0.000 0.458 165 G N -2.635 106.087 108.800 -0.129 0.000 2.313 165 G HA2 0.468 4.446 3.960 0.031 0.000 0.296 165 G HA3 0.468 4.446 3.960 0.031 0.000 0.296 165 G C -1.172 173.799 174.900 0.119 0.000 1.356 165 G CA -0.242 44.859 45.100 0.001 0.000 0.833 165 G HN 0.322 nan 8.290 nan 0.000 0.552 166 G N -2.060 106.839 108.800 0.164 0.000 2.730 166 G HA2 0.526 4.504 3.960 0.031 0.000 0.289 166 G HA3 0.526 4.504 3.960 0.031 0.000 0.289 166 G C 0.042 174.942 174.900 0.001 0.000 1.341 166 G CA -0.277 44.864 45.100 0.068 0.000 0.932 166 G HN 0.708 nan 8.290 nan 0.000 0.481 167 Y N 0.269 120.302 120.300 -0.445 0.000 2.337 167 Y HA 0.148 4.717 4.550 0.032 0.000 0.293 167 Y C 1.831 177.651 175.900 -0.133 0.000 1.123 167 Y CA 1.093 58.885 58.100 -0.514 0.000 1.201 167 Y CB 0.063 38.185 38.460 -0.563 0.000 1.011 167 Y HN 0.326 nan 8.280 nan 0.000 0.545 168 T N 1.508 116.012 114.554 -0.082 0.000 2.869 168 T HA 0.085 4.453 4.350 0.031 0.000 0.295 168 T C 0.136 174.765 174.700 -0.118 0.000 0.987 168 T CA 0.073 62.099 62.100 -0.124 0.000 1.109 168 T CB 0.388 69.224 68.868 -0.053 0.000 0.932 168 T HN 0.408 nan 8.240 nan 0.000 0.518 169 N N 1.362 119.963 118.700 -0.165 0.000 2.758 169 N HA -0.163 4.595 4.740 0.031 0.000 0.248 169 N C -0.888 174.571 175.510 -0.085 0.000 1.076 169 N CA 0.290 53.265 53.050 -0.125 0.000 0.696 169 N CB -0.564 37.876 38.487 -0.078 0.000 0.979 169 N HN 0.629 nan 8.380 nan 0.000 0.550 170 D N -0.468 119.871 120.400 -0.101 0.000 2.608 170 D HA 0.130 4.788 4.640 0.031 0.000 0.224 170 D C 1.505 177.785 176.300 -0.033 0.000 1.123 170 D CA 0.522 54.534 54.000 0.020 0.000 1.030 170 D CB 0.018 40.944 40.800 0.209 0.000 1.093 170 D HN 0.401 nan 8.370 nan 0.000 0.497 171 T N -0.345 114.183 114.554 -0.043 0.000 2.821 171 T HA -0.227 4.141 4.350 0.031 0.000 0.267 171 T C 1.716 176.398 174.700 -0.030 0.000 1.046 171 T CA 0.879 62.948 62.100 -0.051 0.000 1.139 171 T CB -0.242 68.599 68.868 -0.045 0.000 0.871 171 T HN 0.336 nan 8.240 nan 0.000 0.454 172 Q N 1.005 120.794 119.800 -0.018 0.000 2.364 172 Q HA -0.030 4.329 4.340 0.031 0.000 0.207 172 Q C 0.281 176.266 176.000 -0.026 0.000 0.970 172 Q CA 0.231 56.019 55.803 -0.024 0.000 0.888 172 Q CB -0.207 28.510 28.738 -0.034 0.000 0.951 172 Q HN 0.489 nan 8.270 nan 0.000 0.469 173 N N -0.096 118.607 118.700 0.005 0.000 2.738 173 N HA -0.206 4.552 4.740 0.031 0.000 0.249 173 N C 0.028 175.492 175.510 -0.076 0.000 1.047 173 N CA 0.401 53.464 53.050 0.023 0.000 0.707 173 N CB -1.000 37.493 38.487 0.010 0.000 0.937 173 N HN 0.365 nan 8.380 nan 0.000 0.545 174 L N -1.641 119.488 121.223 -0.156 0.000 2.376 174 L HA 0.050 4.409 4.340 0.031 0.000 0.219 174 L C 0.571 177.014 176.870 -0.712 0.000 1.133 174 L CA 1.037 55.585 54.840 -0.486 0.000 0.816 174 L CB -0.160 41.464 42.059 -0.725 0.000 0.933 174 L HN 0.103 nan 8.230 nan 0.000 0.449 175 F N -2.605 117.225 119.950 -0.200 0.000 2.603 175 F HA 0.390 4.936 4.527 0.031 0.000 0.317 175 F C 0.345 175.845 175.800 -0.499 0.000 1.066 175 F CA -0.988 56.818 58.000 -0.323 0.000 0.941 175 F CB 0.969 39.894 39.000 -0.125 0.000 1.291 175 F HN -0.227 nan 8.300 nan 0.000 0.472 176 H N -0.524 118.466 119.070 -0.134 0.000 2.582 176 H HA 0.290 4.864 4.556 0.031 0.000 0.345 176 H C -0.951 174.034 175.328 -0.571 0.000 1.104 176 H CA -0.190 55.707 56.048 -0.252 0.000 1.390 176 H CB 0.601 30.404 29.762 0.068 0.000 1.461 176 H HN 0.547 nan 8.280 nan 0.000 0.551 177 H N 3.184 122.037 119.070 -0.361 0.000 2.439 177 H HA 0.111 4.685 4.556 0.031 0.000 0.230 177 H C -0.704 174.346 175.328 -0.463 0.000 1.420 177 H CA -0.050 55.790 56.048 -0.346 0.000 1.305 177 H CB 0.116 29.646 29.762 -0.385 0.000 1.667 177 H HN 0.666 nan 8.280 nan 0.000 0.515 178 Y N -0.004 120.345 120.300 0.082 0.000 2.481 178 Y HA 0.387 4.955 4.550 0.031 0.000 0.247 178 Y C 1.532 177.429 175.900 -0.004 0.000 1.151 178 Y CA 0.337 58.442 58.100 0.007 0.000 1.238 178 Y CB 1.081 39.514 38.460 -0.046 0.000 1.179 178 Y HN 0.608 nan 8.280 nan 0.000 0.524 179 G N -0.311 108.559 108.800 0.117 0.000 2.483 179 G HA2 0.165 4.144 3.960 0.031 0.000 0.521 179 G HA3 0.165 4.144 3.960 0.031 0.000 0.521 179 G C -0.101 174.808 174.900 0.015 0.000 1.278 179 G CA -0.719 44.415 45.100 0.056 0.000 0.965 179 G HN 0.492 nan 8.290 nan 0.000 0.504 180 G N -1.116 107.657 108.800 -0.045 0.000 2.437 180 G HA2 0.676 4.655 3.960 0.031 0.000 0.319 180 G HA3 0.676 4.655 3.960 0.031 0.000 0.319 180 G C 0.147 174.933 174.900 -0.190 0.000 1.158 180 G CA 0.840 45.865 45.100 -0.126 0.000 0.899 180 G HN 1.246 nan 8.290 nan 0.000 0.502 181 T N -0.601 113.745 114.554 -0.347 0.000 2.869 181 T HA 0.271 4.640 4.350 0.031 0.000 0.295 181 T C 0.907 175.302 174.700 -0.510 0.000 0.987 181 T CA -0.114 61.713 62.100 -0.455 0.000 1.109 181 T CB 0.756 69.213 68.868 -0.686 0.000 0.932 181 T HN 0.572 nan 8.240 nan 0.000 0.518 182 D N 3.086 123.312 120.400 -0.290 0.000 2.339 182 D HA 0.072 4.730 4.640 0.031 0.000 0.217 182 D C 0.521 176.842 176.300 0.035 0.000 1.050 182 D CA -0.241 53.689 54.000 -0.117 0.000 0.856 182 D CB -0.692 40.086 40.800 -0.038 0.000 0.922 182 D HN 0.649 nan 8.370 nan 0.000 0.518 183 F N 0.148 120.060 119.950 -0.064 0.000 3.093 183 F HA -0.315 4.231 4.527 0.032 0.000 0.287 183 F C 1.785 177.569 175.800 -0.026 0.000 0.882 183 F CA 0.527 58.501 58.000 -0.044 0.000 1.063 183 F CB -2.394 36.577 39.000 -0.049 0.000 1.097 183 F HN 0.160 nan 8.300 nan 0.000 0.604 184 S N -1.476 114.278 115.700 0.090 0.000 2.348 184 S HA 0.031 4.520 4.470 0.031 0.000 0.219 184 S C 1.071 175.705 174.600 0.056 0.000 1.033 184 S CA 1.033 59.270 58.200 0.063 0.000 0.974 184 S CB -0.123 63.089 63.200 0.020 0.000 0.868 184 S HN 0.538 nan 8.310 nan 0.000 0.459 185 T N -1.473 113.097 114.554 0.025 0.000 2.942 185 T HA 0.619 4.988 4.350 0.031 0.000 0.289 185 T C 1.077 175.786 174.700 0.014 0.000 1.044 185 T CA -0.939 61.173 62.100 0.020 0.000 1.023 185 T CB 0.908 69.763 68.868 -0.022 0.000 1.123 185 T HN -0.017 nan 8.240 nan 0.000 0.512 186 I N 0.686 121.278 120.570 0.035 0.000 2.179 186 I HA -0.112 4.076 4.170 0.031 0.000 0.242 186 I C 2.612 178.681 176.117 -0.081 0.000 1.088 186 I CA 1.722 63.036 61.300 0.023 0.000 1.357 186 I CB -1.099 36.991 38.000 0.150 0.000 1.051 186 I HN 0.967 nan 8.210 nan 0.000 0.409 187 E N 1.167 121.225 120.200 -0.237 0.000 2.070 187 E HA -0.299 4.070 4.350 0.031 0.000 0.197 187 E C 2.109 178.597 176.600 -0.186 0.000 1.004 187 E CA 1.700 57.793 56.400 -0.512 0.000 0.805 187 E CB -0.171 29.051 29.700 -0.797 0.000 0.744 187 E HN 0.411 nan 8.360 nan 0.000 0.451 188 N N -0.090 118.529 118.700 -0.136 0.000 2.120 188 N HA -0.116 4.643 4.740 0.031 0.000 0.188 188 N C 1.906 177.354 175.510 -0.102 0.000 1.024 188 N CA 1.448 54.439 53.050 -0.098 0.000 0.852 188 N CB -0.291 38.143 38.487 -0.087 0.000 1.003 188 N HN 0.253 nan 8.380 nan 0.000 0.424 189 G N 0.395 109.151 108.800 -0.073 0.000 2.598 189 G HA2 -0.037 3.942 3.960 0.031 0.000 0.215 189 G HA3 -0.037 3.942 3.960 0.031 0.000 0.215 189 G C 1.667 176.582 174.900 0.025 0.000 1.131 189 G CA 0.072 45.163 45.100 -0.014 0.000 0.785 189 G HN 0.303 nan 8.290 nan 0.000 0.539 190 I N -1.238 119.267 120.570 -0.109 0.000 2.385 190 I HA 0.035 4.224 4.170 0.031 0.000 0.244 190 I C 1.929 177.845 176.117 -0.336 0.000 1.089 190 I CA 0.655 61.802 61.300 -0.254 0.000 1.410 190 I CB 0.035 37.763 38.000 -0.454 0.000 1.117 190 I HN 0.086 nan 8.210 nan 0.000 0.429 191 Y N 1.043 121.291 120.300 -0.086 0.000 2.517 191 Y HA 0.164 4.733 4.550 0.032 0.000 0.281 191 Y C 0.985 176.820 175.900 -0.108 0.000 1.125 191 Y CA 0.159 58.113 58.100 -0.243 0.000 1.283 191 Y CB -0.121 38.096 38.460 -0.405 0.000 1.042 191 Y HN -0.050 nan 8.280 nan 0.000 0.547 192 K N 0.579 120.993 120.400 0.024 0.000 2.168 192 K HA 0.221 4.560 4.320 0.031 0.000 0.239 192 K C -0.422 176.144 176.600 -0.057 0.000 0.999 192 K CA -1.057 55.246 56.287 0.027 0.000 0.900 192 K CB 0.560 33.029 32.500 -0.052 0.000 1.111 192 K HN -0.085 nan 8.250 nan 0.000 0.452 193 N N 1.452 120.108 118.700 -0.074 0.000 2.479 193 N HA 0.031 4.789 4.740 0.031 0.000 0.257 193 N C -0.513 174.796 175.510 -0.335 0.000 1.232 193 N CA -0.050 52.909 53.050 -0.152 0.000 0.920 193 N CB 0.411 38.814 38.487 -0.140 0.000 1.105 193 N HN 0.397 nan 8.380 nan 0.000 0.444 194 L N 4.577 125.554 121.223 -0.410 0.000 2.282 194 L HA 0.117 4.476 4.340 0.031 0.000 0.287 194 L C -0.406 176.121 176.870 -0.573 0.000 1.075 194 L CA -0.100 54.305 54.840 -0.724 0.000 0.839 194 L CB -0.661 40.984 42.059 -0.691 0.000 1.219 194 L HN 0.568 nan 8.230 nan 0.000 0.434 195 Y N 1.783 121.923 120.300 -0.267 0.000 2.887 195 Y HA -0.384 4.185 4.550 0.032 0.000 0.467 195 Y C 1.215 176.998 175.900 -0.194 0.000 1.192 195 Y CA 0.934 58.915 58.100 -0.197 0.000 2.535 195 Y CB -1.176 37.183 38.460 -0.168 0.000 1.225 195 Y HN 0.770 nan 8.280 nan 0.000 0.630 196 D N 1.305 121.714 120.400 0.015 0.000 2.424 196 D HA 0.253 4.912 4.640 0.031 0.000 0.220 196 D C -0.292 175.908 176.300 -0.166 0.000 1.150 196 D CA 0.115 54.066 54.000 -0.081 0.000 0.831 196 D CB -0.570 40.213 40.800 -0.029 0.000 0.981 196 D HN 0.422 nan 8.370 nan 0.000 0.500 197 L N 1.193 122.298 121.223 -0.195 0.000 2.319 197 L HA 0.440 4.799 4.340 0.031 0.000 0.280 197 L C 0.742 177.438 176.870 -0.290 0.000 1.099 197 L CA -0.993 53.690 54.840 -0.262 0.000 0.828 197 L CB 1.168 43.009 42.059 -0.364 0.000 1.150 197 L HN -0.010 nan 8.230 nan 0.000 0.442 198 A N 2.627 125.218 122.820 -0.382 0.000 2.505 198 A HA -0.005 4.334 4.320 0.031 0.000 0.271 198 A C -0.013 177.539 177.584 -0.054 0.000 1.112 198 A CA -0.164 51.544 52.037 -0.548 0.000 0.781 198 A CB -0.426 18.163 19.000 -0.684 0.000 1.059 198 A HN 0.755 nan 8.150 nan 0.000 0.508 199 D N 2.774 123.164 120.400 -0.017 0.000 2.338 199 D HA 0.340 4.998 4.640 0.031 0.000 0.255 199 D C 0.108 176.437 176.300 0.049 0.000 1.237 199 D CA 0.147 54.195 54.000 0.080 0.000 0.883 199 D CB 0.217 41.092 40.800 0.124 0.000 1.087 199 D HN 0.499 nan 8.370 nan 0.000 0.485 200 L N 3.545 124.703 121.223 -0.109 0.000 2.456 200 L HA 0.109 4.468 4.340 0.031 0.000 0.272 200 L C 0.670 177.027 176.870 -0.855 0.000 1.189 200 L CA -0.196 54.353 54.840 -0.485 0.000 0.846 200 L CB 0.387 42.100 42.059 -0.577 0.000 1.111 200 L HN 0.442 nan 8.230 nan 0.000 0.475 201 N N 0.876 119.051 118.700 -0.876 0.000 2.589 201 N HA 0.127 4.886 4.740 0.031 0.000 0.232 201 N C 0.480 175.633 175.510 -0.595 0.000 1.015 201 N CA -0.239 52.314 53.050 -0.827 0.000 0.931 201 N CB 0.370 38.513 38.487 -0.573 0.000 1.150 201 N HN 0.432 nan 8.380 nan 0.000 0.512 202 H N 1.043 119.861 119.070 -0.420 0.000 2.545 202 H HA 0.006 4.580 4.556 0.031 0.000 0.282 202 H C 1.039 176.245 175.328 -0.202 0.000 1.020 202 H CA 0.653 56.365 56.048 -0.561 0.000 1.243 202 H CB 0.265 29.349 29.762 -1.130 0.000 1.377 202 H HN 0.495 nan 8.280 nan 0.000 0.581 203 N N 0.691 119.426 118.700 0.058 0.000 2.461 203 N HA -0.105 4.654 4.740 0.031 0.000 0.188 203 N C -0.097 175.455 175.510 0.070 0.000 1.134 203 N CA -0.016 53.117 53.050 0.138 0.000 0.878 203 N CB 0.041 38.649 38.487 0.201 0.000 0.972 203 N HN 0.186 nan 8.380 nan 0.000 0.456 204 N N 0.085 118.775 118.700 -0.017 0.000 2.422 204 N HA 0.064 4.823 4.740 0.031 0.000 0.264 204 N C 0.198 175.713 175.510 0.008 0.000 1.063 204 N CA 0.101 53.133 53.050 -0.029 0.000 0.959 204 N CB 1.100 39.516 38.487 -0.119 0.000 1.087 204 N HN 0.002 nan 8.380 nan 0.000 0.483 205 S N 2.175 117.903 115.700 0.047 0.000 2.402 205 S HA -0.140 4.348 4.470 0.031 0.000 0.233 205 S C 1.740 176.381 174.600 0.069 0.000 1.030 205 S CA 1.323 59.570 58.200 0.078 0.000 1.003 205 S CB 0.004 63.249 63.200 0.076 0.000 0.813 205 S HN 0.674 nan 8.310 nan 0.000 0.477 206 S N 0.967 116.682 115.700 0.025 0.000 2.402 206 S HA -0.022 4.466 4.470 0.031 0.000 0.229 206 S C 1.948 176.574 174.600 0.044 0.000 1.021 206 S CA 0.878 59.092 58.200 0.024 0.000 0.974 206 S CB -0.293 62.888 63.200 -0.032 0.000 0.800 206 S HN 0.363 nan 8.310 nan 0.000 0.484 207 V N 2.041 121.944 119.914 -0.019 0.000 2.346 207 V HA -0.141 3.997 4.120 0.031 0.000 0.244 207 V C 2.288 178.444 176.094 0.104 0.000 1.037 207 V CA 1.946 64.218 62.300 -0.046 0.000 1.029 207 V CB -0.719 30.947 31.823 -0.261 0.000 0.663 207 V HN 0.450 nan 8.190 nan 0.000 0.454 208 D N 0.610 121.091 120.400 0.136 0.000 2.092 208 D HA -0.194 4.465 4.640 0.031 0.000 0.193 208 D C 2.041 178.547 176.300 0.344 0.000 0.994 208 D CA 2.084 56.298 54.000 0.356 0.000 0.828 208 D CB -0.106 40.910 40.800 0.360 0.000 0.963 208 D HN 0.326 nan 8.370 nan 0.000 0.450 209 V N -1.078 118.976 119.914 0.233 0.000 2.951 209 V HA -0.008 4.130 4.120 0.031 0.000 0.255 209 V C 2.056 178.266 176.094 0.192 0.000 1.088 209 V CA 1.164 63.577 62.300 0.189 0.000 1.109 209 V CB -0.985 30.915 31.823 0.128 0.000 0.724 209 V HN 0.379 nan 8.190 nan 0.000 0.471 210 Y N 1.227 121.586 120.300 0.098 0.000 2.145 210 Y HA -0.134 4.435 4.550 0.031 0.000 0.286 210 Y C 2.061 178.039 175.900 0.130 0.000 1.145 210 Y CA 2.368 60.525 58.100 0.094 0.000 1.148 210 Y CB -0.289 38.208 38.460 0.062 0.000 0.981 210 Y HN 0.277 nan 8.280 nan 0.000 0.507 211 L N 0.077 121.357 121.223 0.095 0.000 2.083 211 L HA -0.216 4.143 4.340 0.031 0.000 0.209 211 L C 2.391 179.394 176.870 0.221 0.000 1.083 211 L CA 1.695 56.571 54.840 0.061 0.000 0.752 211 L CB -0.471 41.722 42.059 0.224 0.000 0.899 211 L HN 0.161 nan 8.230 nan 0.000 0.433 212 K N -0.309 120.249 120.400 0.263 0.000 2.097 212 K HA -0.133 4.205 4.320 0.031 0.000 0.205 212 K C 1.642 178.225 176.600 -0.028 0.000 1.050 212 K CA 1.215 57.593 56.287 0.152 0.000 0.938 212 K CB -0.085 32.491 32.500 0.128 0.000 0.718 212 K HN 0.232 nan 8.250 nan 0.000 0.442 213 D N 0.767 121.138 120.400 -0.049 0.000 2.178 213 D HA -0.091 4.568 4.640 0.031 0.000 0.202 213 D C 1.813 178.039 176.300 -0.123 0.000 0.974 213 D CA 1.037 54.973 54.000 -0.107 0.000 0.841 213 D CB -0.112 40.651 40.800 -0.062 0.000 0.953 213 D HN 0.183 nan 8.370 nan 0.000 0.478 214 A N 0.951 123.687 122.820 -0.138 0.000 1.858 214 A HA -0.158 4.180 4.320 0.031 0.000 0.216 214 A C 2.206 179.852 177.584 0.104 0.000 1.190 214 A CA 0.933 52.964 52.037 -0.011 0.000 0.617 214 A CB -0.685 18.333 19.000 0.029 0.000 0.827 214 A HN 0.182 nan 8.150 nan 0.000 0.443 215 I N -0.058 120.491 120.570 -0.035 0.000 2.286 215 I HA -0.195 3.994 4.170 0.031 0.000 0.248 215 I C 2.127 178.178 176.117 -0.110 0.000 1.115 215 I CA 1.648 62.808 61.300 -0.233 0.000 1.392 215 I CB -0.377 37.366 38.000 -0.428 0.000 1.065 215 I HN 0.277 nan 8.210 nan 0.000 0.418 216 K N -0.516 119.782 120.400 -0.170 0.000 2.103 216 K HA -0.213 4.126 4.320 0.031 0.000 0.207 216 K C 2.184 178.729 176.600 -0.092 0.000 1.048 216 K CA 1.826 57.981 56.287 -0.220 0.000 0.930 216 K CB -0.312 31.877 32.500 -0.518 0.000 0.716 216 K HN 0.389 nan 8.250 nan 0.000 0.444 217 M N -0.587 118.934 119.600 -0.132 0.000 2.117 217 M HA -0.181 4.318 4.480 0.031 0.000 0.262 217 M C 1.283 177.433 176.300 -0.250 0.000 1.065 217 M CA 1.776 56.950 55.300 -0.209 0.000 1.114 217 M CB -0.097 32.315 32.600 -0.312 0.000 1.361 217 M HN 0.236 nan 8.290 nan 0.000 0.408 218 W N 0.344 121.640 121.300 -0.006 0.000 2.436 218 W HA -0.049 4.630 4.660 0.032 0.000 0.284 218 W C 1.966 178.530 176.519 0.075 0.000 1.225 218 W CA 0.470 57.833 57.345 0.030 0.000 1.271 218 W CB -0.334 29.123 29.460 -0.004 0.000 1.114 218 W HN 0.171 nan 8.180 nan 0.000 0.559 219 L N -0.099 121.257 121.223 0.220 0.000 2.046 219 L HA -0.223 4.136 4.340 0.031 0.000 0.208 219 L C 1.967 178.944 176.870 0.179 0.000 1.077 219 L CA 1.173 56.129 54.840 0.194 0.000 0.747 219 L CB -0.781 41.396 42.059 0.197 0.000 0.896 219 L HN -0.091 nan 8.230 nan 0.000 0.432 220 D N 0.033 120.528 120.400 0.159 0.000 2.178 220 D HA -0.130 4.529 4.640 0.031 0.000 0.201 220 D C 2.046 178.404 176.300 0.097 0.000 0.980 220 D CA 0.923 54.991 54.000 0.114 0.000 0.842 220 D CB 0.003 40.850 40.800 0.079 0.000 0.948 220 D HN 0.137 nan 8.370 nan 0.000 0.472 221 L N -0.335 120.961 121.223 0.122 0.000 2.622 221 L HA 0.087 4.446 4.340 0.031 0.000 0.233 221 L C 1.622 178.618 176.870 0.210 0.000 1.156 221 L CA 1.021 55.976 54.840 0.192 0.000 0.866 221 L CB -1.101 41.173 42.059 0.358 0.000 0.980 221 L HN 0.191 nan 8.230 nan 0.000 0.448 222 G N -1.177 107.741 108.800 0.197 0.000 2.138 222 G HA2 -0.211 3.767 3.960 0.031 0.000 0.193 222 G HA3 -0.211 3.767 3.960 0.031 0.000 0.193 222 G C 0.275 175.308 174.900 0.221 0.000 0.998 222 G CA 0.070 45.279 45.100 0.181 0.000 0.668 222 G HN 0.095 nan 8.290 nan 0.000 0.516 223 V N 0.963 121.030 119.914 0.255 0.000 2.843 223 V HA 0.240 4.379 4.120 0.031 0.000 0.305 223 V C 1.117 177.352 176.094 0.235 0.000 1.065 223 V CA 0.945 63.400 62.300 0.260 0.000 1.116 223 V CB 1.249 33.266 31.823 0.324 0.000 0.968 223 V HN 0.365 nan 8.190 nan 0.000 0.487 224 D N 2.714 123.277 120.400 0.273 0.000 2.389 224 D HA 0.237 4.896 4.640 0.031 0.000 0.206 224 D C 0.527 177.059 176.300 0.387 0.000 1.055 224 D CA 0.772 54.971 54.000 0.332 0.000 0.856 224 D CB 1.258 42.298 40.800 0.399 0.000 0.957 224 D HN 0.678 nan 8.370 nan 0.000 0.509 225 G N 0.406 109.353 108.800 0.246 0.000 2.673 225 G HA2 0.581 4.559 3.960 0.031 0.000 0.292 225 G HA3 0.581 4.559 3.960 0.031 0.000 0.292 225 G C -1.642 173.249 174.900 -0.015 0.000 1.450 225 G CA -0.624 44.533 45.100 0.095 0.000 0.837 225 G HN -0.010 nan 8.290 nan 0.000 0.505 226 I N 1.193 121.676 120.570 -0.145 0.000 2.478 226 I HA 0.419 4.608 4.170 0.031 0.000 0.287 226 I C -0.212 175.594 176.117 -0.517 0.000 1.042 226 I CA -0.896 60.279 61.300 -0.209 0.000 1.067 226 I CB 2.150 40.075 38.000 -0.125 0.000 1.233 226 I HN 0.208 nan 8.210 nan 0.000 0.431 227 R N 6.327 126.424 120.500 -0.671 0.000 2.198 227 R HA 0.443 4.802 4.340 0.031 0.000 0.339 227 R C -1.340 174.731 176.300 -0.382 0.000 1.020 227 R CA -0.498 54.942 56.100 -1.101 0.000 0.864 227 R CB 1.194 30.726 30.300 -1.281 0.000 1.105 227 R HN 0.396 nan 8.270 nan 0.000 0.463 228 V N 4.657 124.429 119.914 -0.236 0.000 2.461 228 V HA 0.043 4.182 4.120 0.031 0.000 0.275 228 V C 0.455 176.574 176.094 0.041 0.000 1.047 228 V CA -0.582 61.736 62.300 0.030 0.000 0.955 228 V CB 1.290 33.194 31.823 0.136 0.000 0.988 228 V HN 0.653 nan 8.190 nan 0.000 0.471 229 D N 4.231 124.688 120.400 0.095 0.000 2.304 229 D HA 0.499 5.157 4.640 0.031 0.000 0.250 229 D C 0.662 177.026 176.300 0.108 0.000 1.107 229 D CA 0.657 54.732 54.000 0.125 0.000 0.885 229 D CB 0.968 41.873 40.800 0.176 0.000 1.192 229 D HN 1.084 nan 8.370 nan 0.000 0.436 230 A N 2.565 125.460 122.820 0.125 0.000 2.667 230 A HA -0.164 4.175 4.320 0.031 0.000 0.298 230 A C 1.401 178.990 177.584 0.008 0.000 1.483 230 A CA 0.859 52.974 52.037 0.130 0.000 0.738 230 A CB -2.390 16.743 19.000 0.222 0.000 1.067 230 A HN 1.092 nan 8.150 nan 0.000 0.451 231 V N -1.999 117.869 119.914 -0.076 0.000 2.913 231 V HA -0.102 4.037 4.120 0.031 0.000 0.260 231 V C 1.861 177.668 176.094 -0.478 0.000 1.098 231 V CA 2.427 64.607 62.300 -0.201 0.000 1.121 231 V CB -0.599 31.084 31.823 -0.233 0.000 0.714 231 V HN 0.661 nan 8.190 nan 0.000 0.487 232 K N -0.776 119.206 120.400 -0.698 0.000 2.432 232 K HA -0.046 4.292 4.320 0.031 0.000 0.196 232 K C 1.358 177.408 176.600 -0.918 0.000 1.038 232 K CA 0.851 56.406 56.287 -1.219 0.000 0.986 232 K CB -0.036 31.544 32.500 -1.533 0.000 0.782 232 K HN 0.668 nan 8.250 nan 0.000 0.485 233 H N -0.905 118.017 119.070 -0.246 0.000 2.581 233 H HA 0.254 4.829 4.556 0.031 0.000 0.275 233 H C -0.384 174.876 175.328 -0.113 0.000 1.126 233 H CA 0.000 55.950 56.048 -0.164 0.000 1.097 233 H CB 0.313 30.002 29.762 -0.122 0.000 1.626 233 H HN 0.096 nan 8.280 nan 0.000 0.565 234 M N 1.035 120.616 119.600 -0.033 0.000 2.530 234 M HA 0.359 4.857 4.480 0.031 0.000 0.307 234 M C -2.602 173.726 176.300 0.048 0.000 1.161 234 M CA -1.913 53.387 55.300 -0.000 0.000 0.903 234 M CB 2.794 35.397 32.600 0.006 0.000 1.711 234 M HN -0.193 nan 8.290 nan 0.000 0.451 235 P HA -0.029 nan 4.420 nan 0.000 0.265 235 P C 0.038 177.531 177.300 0.321 0.000 1.193 235 P CA 0.091 63.293 63.100 0.169 0.000 0.765 235 P CB 0.282 32.110 31.700 0.213 0.000 0.823 236 F N 3.930 124.014 119.950 0.223 0.000 2.126 236 F HA -0.148 4.397 4.527 0.031 0.000 0.299 236 F C 2.193 178.134 175.800 0.235 0.000 1.096 236 F CA 2.489 60.674 58.000 0.309 0.000 1.255 236 F CB -0.816 38.395 39.000 0.350 0.000 0.997 236 F HN 0.391 nan 8.300 nan 0.000 0.479 237 G N -1.014 108.068 108.800 0.470 0.000 2.442 237 G HA2 -0.354 3.625 3.960 0.031 0.000 0.219 237 G HA3 -0.354 3.625 3.960 0.031 0.000 0.219 237 G C 1.436 176.483 174.900 0.244 0.000 1.141 237 G CA 0.785 46.098 45.100 0.356 0.000 0.763 237 G HN 0.608 nan 8.290 nan 0.000 0.554 238 W N 1.066 122.439 121.300 0.121 0.000 2.409 238 W HA 0.050 4.728 4.660 0.031 0.000 0.299 238 W C 2.801 179.334 176.519 0.024 0.000 1.203 238 W CA 1.321 58.701 57.345 0.058 0.000 1.298 238 W CB -0.013 29.429 29.460 -0.031 0.000 1.127 238 W HN 0.256 nan 8.180 nan 0.000 0.528 239 Q N 0.216 120.050 119.800 0.057 0.000 2.226 239 Q HA -0.236 4.123 4.340 0.031 0.000 0.204 239 Q C 2.143 178.016 176.000 -0.211 0.000 0.975 239 Q CA 1.612 57.370 55.803 -0.076 0.000 0.866 239 Q CB -0.321 28.486 28.738 0.115 0.000 0.915 239 Q HN 0.322 nan 8.270 nan 0.000 0.440 240 K N 0.580 120.831 120.400 -0.249 0.000 2.062 240 K HA -0.126 4.213 4.320 0.031 0.000 0.205 240 K C 2.280 178.754 176.600 -0.210 0.000 1.051 240 K CA 1.486 57.619 56.287 -0.257 0.000 0.941 240 K CB 0.005 32.404 32.500 -0.168 0.000 0.719 240 K HN 0.187 nan 8.250 nan 0.000 0.440 241 S N -0.037 115.530 115.700 -0.221 0.000 2.423 241 S HA -0.143 4.345 4.470 0.031 0.000 0.231 241 S C 1.841 176.241 174.600 -0.332 0.000 1.014 241 S CA 0.589 58.651 58.200 -0.230 0.000 0.965 241 S CB -0.494 62.594 63.200 -0.186 0.000 0.785 241 S HN 0.396 nan 8.310 nan 0.000 0.495 242 F N 1.996 121.510 119.950 -0.726 0.000 2.128 242 F HA 0.171 4.716 4.527 0.031 0.000 0.295 242 F C 2.292 177.855 175.800 -0.394 0.000 1.100 242 F CA 1.127 58.697 58.000 -0.717 0.000 1.260 242 F CB -0.344 37.986 39.000 -1.116 0.000 1.009 242 F HN 0.088 nan 8.300 nan 0.000 0.476 243 M N 0.570 119.973 119.600 -0.328 0.000 2.108 243 M HA -0.142 4.357 4.480 0.031 0.000 0.261 243 M C 2.521 178.643 176.300 -0.297 0.000 1.066 243 M CA 1.675 56.775 55.300 -0.333 0.000 1.107 243 M CB -1.910 30.546 32.600 -0.240 0.000 1.356 243 M HN 0.308 nan 8.290 nan 0.000 0.406 244 A N -0.729 121.947 122.820 -0.240 0.000 1.972 244 A HA -0.146 4.193 4.320 0.031 0.000 0.219 244 A C 2.282 179.763 177.584 -0.172 0.000 1.169 244 A CA 2.194 54.127 52.037 -0.172 0.000 0.635 244 A CB -1.061 17.862 19.000 -0.127 0.000 0.810 244 A HN 0.495 nan 8.150 nan 0.000 0.446 245 T N 0.177 114.589 114.554 -0.237 0.000 2.788 245 T HA -0.069 4.300 4.350 0.031 0.000 0.268 245 T C 1.769 176.347 174.700 -0.202 0.000 1.044 245 T CA 1.477 63.448 62.100 -0.215 0.000 1.139 245 T CB -0.354 68.349 68.868 -0.275 0.000 0.867 245 T HN 0.451 nan 8.240 nan 0.000 0.454 246 I N 1.376 121.754 120.570 -0.319 0.000 2.163 246 I HA -0.153 4.036 4.170 0.031 0.000 0.240 246 I C 2.373 178.436 176.117 -0.089 0.000 1.081 246 I CA 0.981 62.141 61.300 -0.232 0.000 1.353 246 I CB -0.301 37.487 38.000 -0.354 0.000 1.054 246 I HN 0.133 nan 8.210 nan 0.000 0.407 247 N N 1.001 119.632 118.700 -0.115 0.000 2.244 247 N HA -0.129 4.630 4.740 0.031 0.000 0.183 247 N C 1.325 176.816 175.510 -0.030 0.000 1.016 247 N CA 1.037 54.048 53.050 -0.065 0.000 0.866 247 N CB -0.519 37.918 38.487 -0.084 0.000 0.980 247 N HN 0.298 nan 8.380 nan 0.000 0.430 248 N N -0.502 118.183 118.700 -0.024 0.000 2.461 248 N HA -0.047 4.712 4.740 0.031 0.000 0.188 248 N C 0.833 176.378 175.510 0.059 0.000 1.134 248 N CA 0.196 53.249 53.050 0.005 0.000 0.878 248 N CB 0.170 38.656 38.487 -0.001 0.000 0.972 248 N HN 0.459 nan 8.380 nan 0.000 0.456 249 Y N 0.269 120.522 120.300 -0.079 0.000 2.808 249 Y HA 0.321 4.890 4.550 0.031 0.000 0.244 249 Y C -0.331 175.537 175.900 -0.054 0.000 1.033 249 Y CA 0.148 58.207 58.100 -0.068 0.000 1.415 249 Y CB 0.832 39.239 38.460 -0.088 0.000 1.420 249 Y HN -0.313 nan 8.280 nan 0.000 0.484 250 K N 2.419 122.726 120.400 -0.155 0.000 2.723 250 K HA 0.295 4.634 4.320 0.031 0.000 0.229 250 K C -2.944 173.629 176.600 -0.044 0.000 1.022 250 K CA -2.089 54.080 56.287 -0.197 0.000 1.045 250 K CB 1.728 34.105 32.500 -0.206 0.000 1.227 250 K HN 0.060 nan 8.250 nan 0.000 0.516 251 P HA 0.009 nan 4.420 nan 0.000 0.267 251 P C -0.285 177.038 177.300 0.038 0.000 1.209 251 P CA -0.222 62.877 63.100 -0.002 0.000 0.763 251 P CB 0.963 32.669 31.700 0.009 0.000 0.816 252 V N 1.084 121.029 119.914 0.053 0.000 3.040 252 V HA 0.498 4.636 4.120 0.031 0.000 0.312 252 V C -0.296 175.900 176.094 0.170 0.000 1.115 252 V CA -1.576 60.803 62.300 0.132 0.000 0.998 252 V CB 1.780 33.675 31.823 0.120 0.000 1.042 252 V HN 0.391 nan 8.190 nan 0.000 0.433 253 F N 2.050 122.042 119.950 0.070 0.000 2.590 253 F HA 0.443 4.988 4.527 0.030 0.000 0.389 253 F C 0.355 176.139 175.800 -0.026 0.000 1.049 253 F CA 0.871 58.871 58.000 -0.001 0.000 1.199 253 F CB 0.279 39.216 39.000 -0.105 0.000 1.058 253 F HN 0.747 nan 8.300 nan 0.000 0.556 254 T N 8.131 122.479 114.554 -0.343 0.000 2.812 254 T HA 0.518 4.887 4.350 0.031 0.000 0.282 254 T C -0.951 173.520 174.700 -0.382 0.000 0.990 254 T CA -0.362 61.537 62.100 -0.335 0.000 0.960 254 T CB 0.919 69.675 68.868 -0.186 0.000 0.948 254 T HN 0.484 nan 8.240 nan 0.000 0.438 255 F N -0.169 119.420 119.950 -0.603 0.000 2.613 255 F HA 0.958 5.502 4.527 0.030 0.000 0.314 255 F C 0.088 175.776 175.800 -0.187 0.000 1.075 255 F CA -1.227 56.507 58.000 -0.443 0.000 0.945 255 F CB 1.402 40.037 39.000 -0.608 0.000 1.310 255 F HN 0.745 nan 8.300 nan 0.000 0.467 256 G N 0.005 108.886 108.800 0.135 0.000 2.730 256 G HA2 0.536 4.515 3.960 0.031 0.000 0.289 256 G HA3 0.536 4.515 3.960 0.031 0.000 0.289 256 G C -2.301 172.741 174.900 0.236 0.000 1.341 256 G CA -0.915 44.263 45.100 0.130 0.000 0.932 256 G HN 0.925 nan 8.290 nan 0.000 0.481 257 E N -0.162 120.168 120.200 0.217 0.000 2.176 257 E HA 0.367 4.735 4.350 0.031 0.000 0.267 257 E C -1.570 175.204 176.600 0.290 0.000 0.893 257 E CA -0.965 55.608 56.400 0.287 0.000 0.761 257 E CB 1.741 31.611 29.700 0.283 0.000 1.133 257 E HN 0.453 nan 8.360 nan 0.000 0.409 258 W N 7.545 128.957 121.300 0.186 0.000 2.499 258 W HA 0.336 5.015 4.660 0.030 0.000 0.320 258 W C -1.806 174.865 176.519 0.254 0.000 1.010 258 W CA -1.255 56.201 57.345 0.185 0.000 1.267 258 W CB 0.720 30.300 29.460 0.201 0.000 1.316 258 W HN 0.537 nan 8.180 nan 0.000 0.431 259 F N 5.981 126.044 119.950 0.187 0.000 2.543 259 F HA 0.258 4.803 4.527 0.030 0.000 0.375 259 F C 0.012 175.955 175.800 0.238 0.000 1.075 259 F CA 0.709 58.810 58.000 0.168 0.000 1.225 259 F CB 0.585 39.592 39.000 0.012 0.000 1.099 259 F HN 0.083 nan 8.300 nan 0.000 0.561 260 L N 4.604 125.883 121.223 0.093 0.000 2.386 260 L HA 0.491 4.850 4.340 0.031 0.000 0.271 260 L C 0.414 177.326 176.870 0.070 0.000 0.993 260 L CA -0.979 53.902 54.840 0.068 0.000 0.819 260 L CB 1.783 43.717 42.059 -0.207 0.000 1.294 260 L HN 0.659 nan 8.230 nan 0.000 0.414 261 G N 1.561 110.426 108.800 0.108 0.000 2.527 261 G HA2 0.352 4.331 3.960 0.031 0.000 0.248 261 G HA3 0.352 4.331 3.960 0.031 0.000 0.248 261 G C -0.085 174.830 174.900 0.026 0.000 1.231 261 G CA -0.426 44.731 45.100 0.094 0.000 0.838 261 G HN 0.330 nan 8.290 nan 0.000 0.570 262 V N 3.034 122.964 119.914 0.026 0.000 2.475 262 V HA -0.052 4.086 4.120 0.031 0.000 0.292 262 V C 0.707 176.798 176.094 -0.004 0.000 1.003 262 V CA 0.277 62.577 62.300 0.001 0.000 1.120 262 V CB -0.034 31.793 31.823 0.007 0.000 0.937 262 V HN 0.931 nan 8.190 nan 0.000 0.476 263 N N 1.727 120.417 118.700 -0.018 0.000 2.708 263 N HA -0.212 4.547 4.740 0.031 0.000 0.251 263 N C 0.196 175.701 175.510 -0.007 0.000 1.123 263 N CA 1.558 54.600 53.050 -0.014 0.000 0.739 263 N CB -1.041 37.440 38.487 -0.010 0.000 1.113 263 N HN 1.080 nan 8.380 nan 0.000 0.561 264 E N -0.161 120.035 120.200 -0.006 0.000 2.266 264 E HA 0.528 4.896 4.350 0.031 0.000 0.277 264 E C -0.066 176.532 176.600 -0.004 0.000 1.018 264 E CA -0.728 55.676 56.400 0.007 0.000 0.840 264 E CB 0.999 30.714 29.700 0.025 0.000 1.082 264 E HN 0.076 nan 8.360 nan 0.000 0.395 265 I N 2.288 122.866 120.570 0.013 0.000 2.353 265 I HA 0.306 4.494 4.170 0.031 0.000 0.293 265 I C -0.157 175.981 176.117 0.035 0.000 0.992 265 I CA -0.522 60.789 61.300 0.017 0.000 1.268 265 I CB 0.890 38.910 38.000 0.034 0.000 1.387 265 I HN 0.598 nan 8.210 nan 0.000 0.478 266 S N 6.958 122.670 115.700 0.020 0.000 2.561 266 S HA 0.575 5.063 4.470 0.031 0.000 0.303 266 S C -1.925 172.715 174.600 0.066 0.000 1.110 266 S CA -1.146 57.090 58.200 0.059 0.000 1.034 266 S CB 1.850 65.094 63.200 0.073 0.000 1.010 266 S HN 0.346 nan 8.310 nan 0.000 0.482 267 P HA 0.032 nan 4.420 nan 0.000 0.215 267 P C 0.744 178.071 177.300 0.044 0.000 1.157 267 P CA 0.830 63.989 63.100 0.098 0.000 0.856 267 P CB 0.185 31.939 31.700 0.090 0.000 0.786 268 E N -1.175 119.041 120.200 0.028 0.000 2.160 268 E HA -0.228 4.140 4.350 0.031 0.000 0.195 268 E C 1.917 178.173 176.600 -0.574 0.000 0.991 268 E CA 0.971 57.335 56.400 -0.061 0.000 0.810 268 E CB -1.343 28.490 29.700 0.222 0.000 0.742 268 E HN 0.385 nan 8.360 nan 0.000 0.466 269 Y N 1.009 120.729 120.300 -0.966 0.000 2.030 269 Y HA -0.354 4.214 4.550 0.031 0.000 0.274 269 Y C 2.105 177.648 175.900 -0.596 0.000 1.153 269 Y CA 2.413 59.680 58.100 -1.388 0.000 1.115 269 Y CB -0.465 37.434 38.460 -0.935 0.000 0.969 269 Y HN 0.148 nan 8.280 nan 0.000 0.488 270 H N -0.701 118.269 119.070 -0.167 0.000 2.321 270 H HA -0.183 4.392 4.556 0.031 0.000 0.300 270 H C 2.378 177.657 175.328 -0.081 0.000 1.087 270 H CA 1.433 57.410 56.048 -0.118 0.000 1.319 270 H CB -0.277 29.476 29.762 -0.015 0.000 1.379 270 H HN 0.390 nan 8.280 nan 0.000 0.501 271 Q N 0.350 120.183 119.800 0.054 0.000 2.133 271 Q HA -0.235 4.123 4.340 0.031 0.000 0.208 271 Q C 2.025 178.119 176.000 0.156 0.000 0.991 271 Q CA 1.777 57.619 55.803 0.065 0.000 0.867 271 Q CB -0.274 28.480 28.738 0.028 0.000 0.911 271 Q HN 0.476 nan 8.270 nan 0.000 0.417 272 F N 0.405 120.349 119.950 -0.011 0.000 2.084 272 F HA -0.082 4.463 4.527 0.031 0.000 0.296 272 F C 2.246 178.087 175.800 0.068 0.000 1.111 272 F CA 1.603 59.712 58.000 0.183 0.000 1.224 272 F CB -0.634 38.365 39.000 -0.002 0.000 0.991 272 F HN 0.110 nan 8.300 nan 0.000 0.471 273 A N 0.322 123.148 122.820 0.010 0.000 1.986 273 A HA -0.229 4.110 4.320 0.031 0.000 0.220 273 A C 1.920 179.485 177.584 -0.031 0.000 1.171 273 A CA 2.131 54.148 52.037 -0.033 0.000 0.640 273 A CB -0.811 18.216 19.000 0.045 0.000 0.811 273 A HN 0.551 nan 8.150 nan 0.000 0.451 274 N N -0.654 118.056 118.700 0.018 0.000 2.305 274 N HA -0.014 4.745 4.740 0.031 0.000 0.179 274 N C 1.420 176.940 175.510 0.017 0.000 1.019 274 N CA 1.322 54.391 53.050 0.032 0.000 0.869 274 N CB -0.225 38.296 38.487 0.057 0.000 1.000 274 N HN 0.658 nan 8.380 nan 0.000 0.431 275 E N -0.014 120.227 120.200 0.068 0.000 2.460 275 E HA 0.072 4.441 4.350 0.031 0.000 0.200 275 E C 1.451 178.082 176.600 0.052 0.000 1.011 275 E CA 0.039 56.523 56.400 0.141 0.000 0.912 275 E CB 0.306 30.179 29.700 0.289 0.000 0.953 275 E HN 0.299 nan 8.360 nan 0.000 0.494 276 S N -0.512 115.000 115.700 -0.313 0.000 2.406 276 S HA 0.028 4.516 4.470 0.031 0.000 0.228 276 S C 1.795 176.104 174.600 -0.485 0.000 1.020 276 S CA 0.748 58.476 58.200 -0.787 0.000 0.965 276 S CB 0.140 62.431 63.200 -1.514 0.000 0.798 276 S HN 0.317 nan 8.310 nan 0.000 0.488 277 G N 1.241 109.839 108.800 -0.337 0.000 2.179 277 G HA2 -0.199 3.780 3.960 0.031 0.000 0.220 277 G HA3 -0.199 3.780 3.960 0.031 0.000 0.220 277 G C -0.089 174.687 174.900 -0.207 0.000 0.990 277 G CA 0.121 45.080 45.100 -0.234 0.000 0.646 277 G HN 0.900 nan 8.290 nan 0.000 0.517 278 M N 0.005 119.448 119.600 -0.261 0.000 2.644 278 M HA 0.848 5.347 4.480 0.031 0.000 0.304 278 M C 0.361 176.590 176.300 -0.119 0.000 1.215 278 M CA -0.359 54.841 55.300 -0.168 0.000 0.871 278 M CB 2.049 34.579 32.600 -0.115 0.000 1.740 278 M HN 0.539 nan 8.290 nan 0.000 0.464 279 S N 1.543 117.196 115.700 -0.078 0.000 2.694 279 S HA 0.847 5.336 4.470 0.031 0.000 0.278 279 S C -0.440 174.182 174.600 0.037 0.000 1.152 279 S CA -0.884 57.294 58.200 -0.036 0.000 1.010 279 S CB 1.060 64.242 63.200 -0.030 0.000 1.104 279 S HN 0.759 nan 8.310 nan 0.000 0.547 280 L N 0.140 121.373 121.223 0.016 0.000 2.354 280 L HA 0.497 4.855 4.340 0.031 0.000 0.264 280 L C -0.712 176.233 176.870 0.125 0.000 1.008 280 L CA -1.056 53.853 54.840 0.114 0.000 0.819 280 L CB 1.748 43.827 42.059 0.032 0.000 1.339 280 L HN 0.604 nan 8.230 nan 0.000 0.420 281 L N 1.528 122.916 121.223 0.275 0.000 2.453 281 L HA 0.055 4.413 4.340 0.031 0.000 0.272 281 L C 0.015 177.154 176.870 0.448 0.000 1.182 281 L CA 0.129 55.176 54.840 0.345 0.000 0.858 281 L CB 0.309 42.587 42.059 0.364 0.000 1.120 281 L HN 0.509 nan 8.230 nan 0.000 0.474 282 D N 3.441 124.108 120.400 0.446 0.000 2.494 282 D HA 0.124 4.783 4.640 0.031 0.000 0.217 282 D C 0.723 177.246 176.300 0.372 0.000 1.153 282 D CA -0.166 54.064 54.000 0.384 0.000 0.954 282 D CB 0.922 41.819 40.800 0.162 0.000 1.034 282 D HN 0.329 nan 8.370 nan 0.000 0.518 283 L N 3.194 124.655 121.223 0.397 0.000 2.093 283 L HA -0.078 4.281 4.340 0.031 0.000 0.208 283 L C 2.333 179.245 176.870 0.070 0.000 1.085 283 L CA 1.239 56.187 54.840 0.180 0.000 0.755 283 L CB -0.018 42.085 42.059 0.072 0.000 0.904 283 L HN 0.273 nan 8.230 nan 0.000 0.435 284 R N -1.542 119.038 120.500 0.133 0.000 2.096 284 R HA -0.203 4.155 4.340 0.031 0.000 0.235 284 R C 2.176 178.550 176.300 0.124 0.000 1.127 284 R CA 1.724 57.884 56.100 0.100 0.000 0.968 284 R CB -0.829 29.562 30.300 0.151 0.000 0.861 284 R HN 0.222 nan 8.270 nan 0.000 0.440 285 F N 1.626 121.614 119.950 0.064 0.000 2.069 285 F HA -0.205 4.340 4.527 0.029 0.000 0.298 285 F C 2.367 178.152 175.800 -0.025 0.000 1.113 285 F CA 1.654 59.686 58.000 0.053 0.000 1.214 285 F CB -0.420 38.604 39.000 0.040 0.000 0.978 285 F HN 0.035 nan 8.300 nan 0.000 0.474 286 A N 0.201 123.007 122.820 -0.022 0.000 1.877 286 A HA -0.217 4.122 4.320 0.031 0.000 0.216 286 A C 2.130 179.651 177.584 -0.104 0.000 1.186 286 A CA 1.692 53.591 52.037 -0.230 0.000 0.620 286 A CB -0.845 17.655 19.000 -0.833 0.000 0.822 286 A HN 0.542 nan 8.150 nan 0.000 0.443 287 Q N -0.225 119.529 119.800 -0.078 0.000 2.045 287 Q HA -0.232 4.127 4.340 0.031 0.000 0.206 287 Q C 2.057 178.030 176.000 -0.045 0.000 0.991 287 Q CA 2.064 57.843 55.803 -0.040 0.000 0.851 287 Q CB -0.582 28.136 28.738 -0.033 0.000 0.911 287 Q HN 0.597 nan 8.270 nan 0.000 0.418 288 K N 0.847 121.204 120.400 -0.072 0.000 2.097 288 K HA 0.002 4.340 4.320 0.031 0.000 0.205 288 K C 1.921 178.445 176.600 -0.127 0.000 1.050 288 K CA 1.294 57.521 56.287 -0.101 0.000 0.938 288 K CB -0.576 31.862 32.500 -0.104 0.000 0.718 288 K HN 0.185 nan 8.250 nan 0.000 0.442 289 A N 0.623 123.365 122.820 -0.130 0.000 1.933 289 A HA -0.152 4.187 4.320 0.031 0.000 0.218 289 A C 2.097 179.818 177.584 0.229 0.000 1.175 289 A CA 1.600 53.654 52.037 0.027 0.000 0.628 289 A CB -0.396 18.624 19.000 0.034 0.000 0.814 289 A HN 0.319 nan 8.150 nan 0.000 0.444 290 R N -0.796 119.807 120.500 0.172 0.000 2.073 290 R HA -0.084 4.274 4.340 0.031 0.000 0.229 290 R C 2.463 178.772 176.300 0.015 0.000 1.120 290 R CA 1.442 57.641 56.100 0.166 0.000 0.967 290 R CB -0.309 30.044 30.300 0.087 0.000 0.862 290 R HN 0.668 nan 8.270 nan 0.000 0.436 291 Q N 0.013 119.791 119.800 -0.036 0.000 2.096 291 Q HA -0.140 4.218 4.340 0.031 0.000 0.204 291 Q C 2.123 178.046 176.000 -0.128 0.000 0.982 291 Q CA 1.594 57.349 55.803 -0.080 0.000 0.850 291 Q CB 0.048 28.736 28.738 -0.083 0.000 0.901 291 Q HN 0.177 nan 8.270 nan 0.000 0.422 292 V N -0.747 119.040 119.914 -0.213 0.000 2.446 292 V HA -0.129 4.010 4.120 0.031 0.000 0.244 292 V C 1.411 177.243 176.094 -0.437 0.000 1.039 292 V CA 1.524 63.574 62.300 -0.417 0.000 1.045 292 V CB -0.241 31.165 31.823 -0.695 0.000 0.681 292 V HN 0.266 nan 8.190 nan 0.000 0.459 293 F N -0.987 118.966 119.950 0.005 0.000 2.731 293 F HA 0.274 4.820 4.527 0.031 0.000 0.298 293 F C 2.302 178.183 175.800 0.136 0.000 1.106 293 F CA 0.333 58.396 58.000 0.104 0.000 1.329 293 F CB 0.201 39.323 39.000 0.203 0.000 1.100 293 F HN -0.105 nan 8.300 nan 0.000 0.592 294 R N 0.178 120.749 120.500 0.119 0.000 2.098 294 R HA 0.035 4.394 4.340 0.031 0.000 0.203 294 R C 1.045 177.262 176.300 -0.138 0.000 1.166 294 R CA 0.888 56.867 56.100 -0.201 0.000 1.090 294 R CB 0.055 29.907 30.300 -0.747 0.000 0.992 294 R HN 0.014 nan 8.270 nan 0.000 0.477 295 D N 0.179 120.506 120.400 -0.122 0.000 2.327 295 D HA -0.043 4.615 4.640 0.031 0.000 0.205 295 D C -0.112 176.146 176.300 -0.071 0.000 0.989 295 D CA 0.395 54.337 54.000 -0.098 0.000 0.873 295 D CB -0.168 40.577 40.800 -0.092 0.000 0.955 295 D HN 0.370 nan 8.370 nan 0.000 0.515 296 N N 0.639 119.295 118.700 -0.074 0.000 2.738 296 N HA -0.194 4.564 4.740 0.031 0.000 0.249 296 N C -0.054 175.418 175.510 -0.064 0.000 1.047 296 N CA 0.628 53.635 53.050 -0.072 0.000 0.707 296 N CB -0.715 37.742 38.487 -0.051 0.000 0.937 296 N HN 0.227 nan 8.380 nan 0.000 0.545 297 T N -3.421 111.092 114.554 -0.069 0.000 3.134 297 T HA 0.269 4.637 4.350 0.031 0.000 0.260 297 T C 0.012 174.677 174.700 -0.058 0.000 1.027 297 T CA -0.157 61.910 62.100 -0.055 0.000 0.913 297 T CB 0.688 69.526 68.868 -0.049 0.000 1.046 297 T HN 0.312 nan 8.240 nan 0.000 0.553 298 D N 0.774 121.127 120.400 -0.078 0.000 2.713 298 D HA 0.349 5.007 4.640 0.031 0.000 0.306 298 D C -1.502 174.734 176.300 -0.106 0.000 1.299 298 D CA -0.399 53.555 54.000 -0.077 0.000 0.823 298 D CB 1.882 42.631 40.800 -0.085 0.000 1.353 298 D HN 0.326 nan 8.370 nan 0.000 0.447 299 N N -0.938 117.705 118.700 -0.096 0.000 3.229 299 N HA 0.233 4.992 4.740 0.031 0.000 0.315 299 N C 0.734 176.145 175.510 -0.164 0.000 1.520 299 N CA -0.462 52.517 53.050 -0.118 0.000 0.769 299 N CB 0.146 38.620 38.487 -0.022 0.000 1.766 299 N HN 0.200 nan 8.380 nan 0.000 0.618 300 M N -0.650 118.826 119.600 -0.207 0.000 2.267 300 M HA -0.034 4.465 4.480 0.031 0.000 0.263 300 M C 1.100 177.221 176.300 -0.299 0.000 1.063 300 M CA 1.454 56.584 55.300 -0.284 0.000 1.090 300 M CB -1.397 31.027 32.600 -0.293 0.000 1.392 300 M HN 0.550 nan 8.290 nan 0.000 0.422 301 Y N -0.059 120.195 120.300 -0.077 0.000 2.352 301 Y HA -0.057 4.512 4.550 0.032 0.000 0.292 301 Y C 2.570 178.436 175.900 -0.057 0.000 1.136 301 Y CA 1.233 59.299 58.100 -0.056 0.000 1.227 301 Y CB -0.922 37.506 38.460 -0.054 0.000 0.991 301 Y HN 0.314 nan 8.280 nan 0.000 0.545 302 G N -0.379 108.442 108.800 0.036 0.000 2.394 302 G HA2 -0.223 3.756 3.960 0.031 0.000 0.215 302 G HA3 -0.223 3.756 3.960 0.031 0.000 0.215 302 G C 1.582 176.452 174.900 -0.049 0.000 1.165 302 G CA 0.746 45.840 45.100 -0.009 0.000 0.784 302 G HN 0.300 nan 8.290 nan 0.000 0.535 303 L N 0.861 122.014 121.223 -0.117 0.000 2.017 303 L HA 0.048 4.407 4.340 0.031 0.000 0.208 303 L C 2.758 179.599 176.870 -0.047 0.000 1.073 303 L CA 2.413 57.170 54.840 -0.139 0.000 0.745 303 L CB -0.443 41.451 42.059 -0.276 0.000 0.894 303 L HN 0.253 nan 8.230 nan 0.000 0.432 304 K N -0.611 119.762 120.400 -0.045 0.000 2.074 304 K HA -0.233 4.105 4.320 0.031 0.000 0.209 304 K C 1.884 178.510 176.600 0.045 0.000 1.048 304 K CA 1.668 57.960 56.287 0.009 0.000 0.926 304 K CB -0.270 32.222 32.500 -0.012 0.000 0.713 304 K HN 0.425 nan 8.250 nan 0.000 0.444 305 A N 1.510 124.356 122.820 0.042 0.000 1.969 305 A HA -0.132 4.206 4.320 0.031 0.000 0.218 305 A C 2.114 179.727 177.584 0.048 0.000 1.169 305 A CA 1.337 53.404 52.037 0.049 0.000 0.635 305 A CB -0.477 18.550 19.000 0.046 0.000 0.810 305 A HN 0.484 nan 8.150 nan 0.000 0.445 306 M N -0.155 119.471 119.600 0.044 0.000 2.132 306 M HA -0.044 4.454 4.480 0.031 0.000 0.263 306 M C 1.912 178.281 176.300 0.115 0.000 1.065 306 M CA 1.660 57.002 55.300 0.069 0.000 1.122 306 M CB -0.795 31.837 32.600 0.053 0.000 1.365 306 M HN 0.415 nan 8.290 nan 0.000 0.411 307 L N 0.068 121.361 121.223 0.118 0.000 2.046 307 L HA -0.220 4.139 4.340 0.031 0.000 0.208 307 L C 2.324 179.269 176.870 0.125 0.000 1.077 307 L CA 1.410 56.339 54.840 0.149 0.000 0.747 307 L CB -0.579 41.556 42.059 0.126 0.000 0.896 307 L HN 0.367 nan 8.230 nan 0.000 0.432 308 E N -0.231 120.028 120.200 0.097 0.000 2.046 308 E HA -0.141 4.227 4.350 0.031 0.000 0.190 308 E C 2.221 178.857 176.600 0.060 0.000 0.982 308 E CA 0.996 57.445 56.400 0.082 0.000 0.800 308 E CB -0.303 29.441 29.700 0.074 0.000 0.756 308 E HN 0.527 nan 8.360 nan 0.000 0.449 309 G N 1.240 110.068 108.800 0.047 0.000 2.422 309 G HA2 -0.297 3.682 3.960 0.031 0.000 0.218 309 G HA3 -0.297 3.682 3.960 0.031 0.000 0.218 309 G C 1.749 176.642 174.900 -0.012 0.000 1.146 309 G CA 1.182 46.288 45.100 0.009 0.000 0.769 309 G HN 0.356 nan 8.290 nan 0.000 0.547 310 S N 0.899 116.635 115.700 0.060 0.000 2.382 310 S HA -0.103 4.386 4.470 0.031 0.000 0.228 310 S C 1.908 176.587 174.600 0.132 0.000 1.027 310 S CA 1.499 59.756 58.200 0.096 0.000 0.991 310 S CB -0.384 63.026 63.200 0.351 0.000 0.823 310 S HN 0.577 nan 8.310 nan 0.000 0.469 311 E N 0.690 120.968 120.200 0.129 0.000 2.160 311 E HA -0.075 4.293 4.350 0.031 0.000 0.195 311 E C 1.696 178.325 176.600 0.048 0.000 0.991 311 E CA 1.283 57.750 56.400 0.112 0.000 0.810 311 E CB -0.214 29.539 29.700 0.089 0.000 0.742 311 E HN 0.428 nan 8.360 nan 0.000 0.466 312 V N 1.225 121.132 119.914 -0.013 0.000 3.354 312 V HA -0.072 4.066 4.120 0.031 0.000 0.258 312 V C 0.887 176.909 176.094 -0.119 0.000 1.159 312 V CA 1.038 63.308 62.300 -0.050 0.000 1.125 312 V CB 0.105 31.900 31.823 -0.045 0.000 0.774 312 V HN 0.160 nan 8.190 nan 0.000 0.464 313 D N -1.605 118.654 120.400 -0.235 0.000 2.388 313 D HA 0.069 4.728 4.640 0.031 0.000 0.208 313 D C 0.130 176.207 176.300 -0.371 0.000 1.035 313 D CA 0.360 54.088 54.000 -0.453 0.000 0.875 313 D CB 0.207 40.470 40.800 -0.896 0.000 0.984 313 D HN 0.376 nan 8.370 nan 0.000 0.508 314 Y N 0.759 121.019 120.300 -0.067 0.000 2.326 314 Y HA 0.478 5.046 4.550 0.031 0.000 0.337 314 Y C 1.248 177.140 175.900 -0.013 0.000 1.023 314 Y CA -1.108 57.002 58.100 0.017 0.000 1.143 314 Y CB 1.627 40.129 38.460 0.070 0.000 1.183 314 Y HN -0.159 nan 8.280 nan 0.000 0.485 315 A N 2.550 125.453 122.820 0.138 0.000 2.014 315 A HA -0.059 4.280 4.320 0.031 0.000 0.218 315 A C 0.372 177.959 177.584 0.004 0.000 1.163 315 A CA 0.882 52.943 52.037 0.039 0.000 0.652 315 A CB -0.156 18.856 19.000 0.020 0.000 0.808 315 A HN 0.718 nan 8.150 nan 0.000 0.449 316 Q N -1.170 118.670 119.800 0.066 0.000 2.771 316 Q HA 0.382 4.741 4.340 0.031 0.000 0.247 316 Q C 0.177 176.225 176.000 0.079 0.000 0.986 316 Q CA -0.180 55.657 55.803 0.057 0.000 0.713 316 Q CB 1.037 29.862 28.738 0.145 0.000 1.241 316 Q HN 0.032 nan 8.270 nan 0.000 0.488 317 V N 1.613 121.582 119.914 0.092 0.000 2.913 317 V HA -0.169 3.970 4.120 0.031 0.000 0.260 317 V C 0.745 176.835 176.094 -0.007 0.000 1.098 317 V CA 1.549 63.882 62.300 0.054 0.000 1.121 317 V CB 0.040 31.956 31.823 0.155 0.000 0.714 317 V HN 0.684 nan 8.190 nan 0.000 0.487 318 N N 0.468 119.198 118.700 0.050 0.000 2.515 318 N HA -0.045 4.714 4.740 0.031 0.000 0.185 318 N C 0.956 176.464 175.510 -0.002 0.000 1.109 318 N CA 0.904 53.970 53.050 0.027 0.000 0.903 318 N CB -0.054 38.501 38.487 0.114 0.000 0.969 318 N HN 0.539 nan 8.380 nan 0.000 0.450 319 D N 0.079 120.499 120.400 0.033 0.000 2.349 319 D HA 0.030 4.688 4.640 0.031 0.000 0.214 319 D C 0.162 176.474 176.300 0.020 0.000 1.063 319 D CA 0.214 54.270 54.000 0.092 0.000 0.847 319 D CB 0.370 41.300 40.800 0.216 0.000 0.933 319 D HN 0.078 nan 8.370 nan 0.000 0.513 320 Q N 0.821 120.536 119.800 -0.142 0.000 2.304 320 Q HA 0.177 4.535 4.340 0.031 0.000 0.260 320 Q C -0.099 175.788 176.000 -0.188 0.000 0.965 320 Q CA -0.131 55.525 55.803 -0.245 0.000 0.898 320 Q CB 2.024 30.470 28.738 -0.487 0.000 1.196 320 Q HN -0.073 nan 8.270 nan 0.000 0.402 321 V N 3.724 123.537 119.914 -0.168 0.000 2.385 321 V HA 0.223 4.362 4.120 0.031 0.000 0.269 321 V C 0.648 176.771 176.094 0.049 0.000 1.043 321 V CA -0.345 61.854 62.300 -0.169 0.000 0.906 321 V CB 0.879 32.410 31.823 -0.486 0.000 0.995 321 V HN 0.872 nan 8.190 nan 0.000 0.467 322 T N 2.857 117.387 114.554 -0.041 0.000 2.944 322 T HA 0.906 5.274 4.350 0.031 0.000 0.284 322 T C -0.653 174.238 174.700 0.317 0.000 1.010 322 T CA -0.572 61.471 62.100 -0.094 0.000 1.025 322 T CB 1.833 70.166 68.868 -0.891 0.000 1.079 322 T HN 0.709 nan 8.240 nan 0.000 0.516 323 F N -1.266 118.775 119.950 0.151 0.000 2.842 323 F HA 0.507 5.051 4.527 0.028 0.000 0.319 323 F C -0.072 175.935 175.800 0.345 0.000 1.159 323 F CA -1.350 56.792 58.000 0.237 0.000 0.902 323 F CB 0.809 39.951 39.000 0.237 0.000 1.311 323 F HN 0.583 nan 8.300 nan 0.000 0.453 324 I N -1.578 119.202 120.570 0.349 0.000 4.181 324 I HA 0.457 4.646 4.170 0.031 0.000 0.331 324 I C -0.990 175.362 176.117 0.392 0.000 1.312 324 I CA 0.038 61.494 61.300 0.261 0.000 1.146 324 I CB 0.596 38.634 38.000 0.064 0.000 1.074 324 I HN 0.645 nan 8.210 nan 0.000 0.402 325 D N 0.695 121.388 120.400 0.490 0.000 2.710 325 D HA 0.365 5.023 4.640 0.031 0.000 0.276 325 D C -1.079 175.356 176.300 0.225 0.000 1.267 325 D CA -0.611 53.623 54.000 0.390 0.000 0.772 325 D CB 0.724 41.717 40.800 0.322 0.000 1.299 325 D HN 0.267 nan 8.370 nan 0.000 0.421 326 N N -2.310 116.292 118.700 -0.163 0.000 3.449 326 N HA 0.123 4.881 4.740 0.031 0.000 0.312 326 N C 0.943 175.892 175.510 -0.935 0.000 1.557 326 N CA -0.363 52.255 53.050 -0.720 0.000 0.864 326 N CB -0.274 38.025 38.487 -0.314 0.000 1.799 326 N HN 0.560 nan 8.380 nan 0.000 0.554 327 H N -1.467 117.127 119.070 -0.794 0.000 2.518 327 H HA 0.011 4.585 4.556 0.030 0.000 0.294 327 H C -0.608 174.672 175.328 -0.081 0.000 1.083 327 H CA 1.505 57.385 56.048 -0.280 0.000 1.264 327 H CB -0.317 29.562 29.762 0.196 0.000 1.370 327 H HN 0.518 nan 8.280 nan 0.000 0.560 328 D N 0.073 120.148 120.400 -0.542 0.000 2.395 328 D HA 0.258 4.916 4.640 0.031 0.000 0.213 328 D C 0.340 176.610 176.300 -0.050 0.000 1.110 328 D CA 0.065 53.907 54.000 -0.263 0.000 0.835 328 D CB 0.620 41.303 40.800 -0.195 0.000 0.965 328 D HN 0.368 nan 8.370 nan 0.000 0.505 329 M N 0.092 119.662 119.600 -0.052 0.000 2.593 329 M HA 0.281 4.780 4.480 0.031 0.000 0.290 329 M C -0.298 176.021 176.300 0.032 0.000 1.244 329 M CA -0.815 54.505 55.300 0.033 0.000 0.857 329 M CB 2.865 35.520 32.600 0.093 0.000 1.738 329 M HN -0.302 nan 8.290 nan 0.000 0.461 330 E N 1.732 121.961 120.200 0.047 0.000 2.415 330 E HA 0.105 4.474 4.350 0.031 0.000 0.262 330 E C -0.479 176.177 176.600 0.094 0.000 1.038 330 E CA -0.166 56.265 56.400 0.051 0.000 0.921 330 E CB 0.578 30.294 29.700 0.027 0.000 0.950 330 E HN 0.278 nan 8.360 nan 0.000 0.438 331 R N 1.751 122.323 120.500 0.120 0.000 2.679 331 R HA -0.055 4.304 4.340 0.031 0.000 0.268 331 R C 0.869 177.296 176.300 0.213 0.000 1.044 331 R CA 0.214 56.432 56.100 0.197 0.000 1.105 331 R CB 0.095 30.503 30.300 0.181 0.000 0.989 331 R HN 0.646 nan 8.270 nan 0.000 0.447 332 F N 1.899 121.940 119.950 0.151 0.000 2.113 332 F HA -0.138 4.400 4.527 0.019 0.000 0.297 332 F C 1.475 177.382 175.800 0.178 0.000 1.103 332 F CA 1.335 59.427 58.000 0.153 0.000 1.248 332 F CB -0.029 39.073 39.000 0.170 0.000 0.999 332 F HN 0.479 nan 8.300 nan 0.000 0.475 333 H N 1.071 120.361 119.070 0.366 0.000 2.722 333 H HA 0.180 4.729 4.556 -0.011 0.000 0.328 333 H C -0.335 175.065 175.328 0.121 0.000 1.067 333 H CA 0.172 56.379 56.048 0.265 0.000 1.447 333 H CB 0.776 30.716 29.762 0.298 0.000 1.469 333 H HN 0.196 nan 8.280 nan 0.000 0.544 334 T N 1.776 116.117 114.554 -0.354 0.000 2.943 334 T HA 0.271 4.640 4.350 0.031 0.000 0.284 334 T C 0.146 174.568 174.700 -0.465 0.000 1.015 334 T CA -1.084 60.840 62.100 -0.292 0.000 1.042 334 T CB 1.307 70.060 68.868 -0.192 0.000 1.055 334 T HN 0.484 nan 8.240 nan 0.000 0.500 335 S N 1.861 117.434 115.700 -0.211 0.000 2.537 335 S HA 0.162 4.651 4.470 0.031 0.000 0.286 335 S C 0.907 175.428 174.600 -0.133 0.000 1.299 335 S CA -0.060 58.060 58.200 -0.134 0.000 1.067 335 S CB -0.473 62.698 63.200 -0.049 0.000 0.864 335 S HN 0.998 nan 8.310 nan 0.000 0.494 336 N N 0.508 119.159 118.700 -0.081 0.000 2.708 336 N HA -0.152 4.606 4.740 0.031 0.000 0.249 336 N C 0.124 175.595 175.510 -0.065 0.000 1.097 336 N CA 0.868 53.893 53.050 -0.042 0.000 0.710 336 N CB -0.945 37.526 38.487 -0.027 0.000 1.032 336 N HN 0.796 nan 8.380 nan 0.000 0.551 337 G N -0.589 108.118 108.800 -0.155 0.000 2.477 337 G HA2 0.349 4.328 3.960 0.031 0.000 0.304 337 G HA3 0.349 4.328 3.960 0.031 0.000 0.304 337 G C -0.832 174.120 174.900 0.086 0.000 1.175 337 G CA -0.417 44.622 45.100 -0.103 0.000 0.907 337 G HN 0.301 nan 8.290 nan 0.000 0.509 338 D N -0.187 120.283 120.400 0.117 0.000 2.339 338 D HA 0.103 4.761 4.640 0.031 0.000 0.256 338 D C 1.750 178.191 176.300 0.236 0.000 1.214 338 D CA -0.433 53.654 54.000 0.145 0.000 0.877 338 D CB 0.748 41.611 40.800 0.106 0.000 1.111 338 D HN 0.267 nan 8.370 nan 0.000 0.478 339 R N 3.408 124.004 120.500 0.159 0.000 2.127 339 R HA -0.159 4.200 4.340 0.031 0.000 0.238 339 R C 1.681 178.081 176.300 0.167 0.000 1.134 339 R CA 0.683 56.822 56.100 0.066 0.000 0.975 339 R CB -0.277 29.834 30.300 -0.316 0.000 0.865 339 R HN 0.323 nan 8.270 nan 0.000 0.447 340 R N 1.967 122.545 120.500 0.130 0.000 2.193 340 R HA -0.065 4.294 4.340 0.031 0.000 0.229 340 R C 1.717 178.119 176.300 0.170 0.000 1.110 340 R CA 1.450 57.628 56.100 0.130 0.000 0.988 340 R CB -0.111 30.249 30.300 0.099 0.000 0.871 340 R HN 0.167 nan 8.270 nan 0.000 0.458 341 K N -0.490 120.057 120.400 0.246 0.000 2.057 341 K HA -0.112 4.226 4.320 0.031 0.000 0.206 341 K C 1.826 178.644 176.600 0.364 0.000 1.050 341 K CA 1.357 57.850 56.287 0.343 0.000 0.935 341 K CB -0.261 32.482 32.500 0.405 0.000 0.715 341 K HN 0.100 nan 8.250 nan 0.000 0.439 342 L N 1.983 123.435 121.223 0.381 0.000 2.027 342 L HA -0.164 4.195 4.340 0.031 0.000 0.206 342 L C 1.758 178.608 176.870 -0.034 0.000 1.074 342 L CA 1.813 56.737 54.840 0.139 0.000 0.745 342 L CB -0.242 41.983 42.059 0.277 0.000 0.898 342 L HN 0.121 nan 8.230 nan 0.000 0.433 343 E N -0.885 119.360 120.200 0.076 0.000 2.085 343 E HA -0.269 4.099 4.350 0.031 0.000 0.194 343 E C 2.183 178.755 176.600 -0.047 0.000 0.994 343 E CA 1.628 58.048 56.400 0.032 0.000 0.801 343 E CB -0.190 29.566 29.700 0.092 0.000 0.743 343 E HN 0.647 nan 8.360 nan 0.000 0.453 344 Q N 0.001 119.765 119.800 -0.061 0.000 2.079 344 Q HA -0.085 4.274 4.340 0.031 0.000 0.200 344 Q C 2.254 178.021 176.000 -0.390 0.000 0.974 344 Q CA 1.179 56.881 55.803 -0.168 0.000 0.840 344 Q CB -0.105 28.559 28.738 -0.123 0.000 0.898 344 Q HN 0.240 nan 8.270 nan 0.000 0.430 345 A N 0.707 123.243 122.820 -0.474 0.000 2.015 345 A HA -0.099 4.239 4.320 0.031 0.000 0.219 345 A C 2.021 179.459 177.584 -0.242 0.000 1.163 345 A CA 0.800 52.506 52.037 -0.553 0.000 0.646 345 A CB -0.443 18.195 19.000 -0.603 0.000 0.806 345 A HN 0.248 nan 8.150 nan 0.000 0.448 346 L N -0.945 120.149 121.223 -0.215 0.000 2.044 346 L HA -0.152 4.206 4.340 0.031 0.000 0.205 346 L C 3.119 179.955 176.870 -0.055 0.000 1.075 346 L CA 1.006 55.781 54.840 -0.108 0.000 0.747 346 L CB -0.528 41.471 42.059 -0.100 0.000 0.903 346 L HN 0.427 nan 8.230 nan 0.000 0.435 347 A N -0.154 122.630 122.820 -0.060 0.000 1.940 347 A HA -0.293 4.046 4.320 0.031 0.000 0.219 347 A C 2.157 179.772 177.584 0.052 0.000 1.176 347 A CA 1.722 53.744 52.037 -0.024 0.000 0.631 347 A CB -0.852 18.126 19.000 -0.037 0.000 0.814 347 A HN 0.429 nan 8.150 nan 0.000 0.446 348 F N 1.332 121.222 119.950 -0.100 0.000 2.134 348 F HA -0.121 4.424 4.527 0.029 0.000 0.299 348 F C 2.408 178.287 175.800 0.132 0.000 1.097 348 F CA 2.227 60.242 58.000 0.024 0.000 1.264 348 F CB -0.701 38.197 39.000 -0.171 0.000 1.001 348 F HN 0.197 nan 8.300 nan 0.000 0.479 349 T N 1.464 116.030 114.554 0.020 0.000 2.777 349 T HA -0.116 4.253 4.350 0.031 0.000 0.266 349 T C 2.178 176.818 174.700 -0.100 0.000 1.040 349 T CA 1.611 63.709 62.100 -0.003 0.000 1.141 349 T CB -0.522 68.420 68.868 0.124 0.000 0.868 349 T HN 0.235 nan 8.240 nan 0.000 0.444 350 L N 1.411 122.601 121.223 -0.054 0.000 2.131 350 L HA -0.074 4.285 4.340 0.031 0.000 0.210 350 L C 2.637 179.462 176.870 -0.075 0.000 1.092 350 L CA 1.417 56.218 54.840 -0.064 0.000 0.759 350 L CB -0.884 41.145 42.059 -0.050 0.000 0.903 350 L HN 0.432 nan 8.230 nan 0.000 0.435 351 T N -5.298 109.229 114.554 -0.045 0.000 3.122 351 T HA 0.179 4.548 4.350 0.031 0.000 0.250 351 T C 0.734 175.448 174.700 0.023 0.000 1.067 351 T CA -0.287 61.813 62.100 0.000 0.000 0.966 351 T CB 0.243 69.142 68.868 0.053 0.000 1.002 351 T HN 0.004 nan 8.240 nan 0.000 0.542 352 S N 2.161 117.789 115.700 -0.121 0.000 2.722 352 S HA 0.615 5.104 4.470 0.031 0.000 0.292 352 S C 0.336 174.826 174.600 -0.183 0.000 1.135 352 S CA -1.094 56.996 58.200 -0.183 0.000 1.003 352 S CB 1.009 63.969 63.200 -0.400 0.000 1.067 352 S HN 0.597 nan 8.310 nan 0.000 0.546 353 R N 0.752 121.166 120.500 -0.143 0.000 2.738 353 R HA 0.586 4.944 4.340 0.031 0.000 0.268 353 R C 0.559 176.729 176.300 -0.217 0.000 1.062 353 R CA 0.457 56.479 56.100 -0.130 0.000 1.158 353 R CB -1.355 28.922 30.300 -0.038 0.000 1.046 353 R HN 0.973 nan 8.270 nan 0.000 0.493 354 G N -0.258 108.431 108.800 -0.186 0.000 2.500 354 G HA2 -0.142 3.837 3.960 0.031 0.000 0.209 354 G HA3 -0.142 3.837 3.960 0.031 0.000 0.209 354 G C -1.499 173.270 174.900 -0.219 0.000 1.283 354 G CA -0.365 44.608 45.100 -0.212 0.000 0.960 354 G HN 0.663 nan 8.290 nan 0.000 0.528 355 V N 2.859 122.648 119.914 -0.208 0.000 2.326 355 V HA 0.537 4.675 4.120 0.031 0.000 0.281 355 V C -1.805 174.206 176.094 -0.139 0.000 1.015 355 V CA -0.969 61.223 62.300 -0.180 0.000 0.823 355 V CB 1.700 33.402 31.823 -0.202 0.000 1.009 355 V HN 0.697 nan 8.190 nan 0.000 0.436 356 P HA 0.344 nan 4.420 nan 0.000 0.276 356 P C -0.682 176.670 177.300 0.086 0.000 1.235 356 P CA -0.022 63.059 63.100 -0.033 0.000 0.772 356 P CB 1.528 33.198 31.700 -0.050 0.000 0.871 357 A N 5.185 128.119 122.820 0.190 0.000 2.303 357 A HA 0.581 4.920 4.320 0.031 0.000 0.320 357 A C -0.036 177.724 177.584 0.293 0.000 1.192 357 A CA -0.899 51.321 52.037 0.304 0.000 0.821 357 A CB 0.361 19.633 19.000 0.453 0.000 1.188 357 A HN 0.496 nan 8.150 nan 0.000 0.492 358 I N 2.754 123.483 120.570 0.265 0.000 2.331 358 I HA 0.148 4.337 4.170 0.031 0.000 0.292 358 I C -0.580 175.646 176.117 0.181 0.000 0.998 358 I CA -0.566 60.873 61.300 0.230 0.000 1.267 358 I CB 0.987 39.137 38.000 0.251 0.000 1.386 358 I HN 0.700 nan 8.210 nan 0.000 0.476 359 Y N 8.567 128.874 120.300 0.012 0.000 2.442 359 Y HA 0.067 4.636 4.550 0.032 0.000 0.330 359 Y C 0.087 175.850 175.900 -0.228 0.000 1.129 359 Y CA -1.054 56.992 58.100 -0.091 0.000 1.365 359 Y CB 0.150 38.591 38.460 -0.033 0.000 1.233 359 Y HN 0.420 nan 8.280 nan 0.000 0.529 360 Y N 3.455 123.352 120.300 -0.672 0.000 2.890 360 Y HA 0.312 4.884 4.550 0.037 0.000 0.341 360 Y C 1.161 176.907 175.900 -0.257 0.000 1.269 360 Y CA -0.269 57.438 58.100 -0.656 0.000 1.517 360 Y CB -0.016 38.153 38.460 -0.484 0.000 1.314 360 Y HN 0.904 nan 8.280 nan 0.000 0.622 361 G N 1.199 109.994 108.800 -0.008 0.000 2.253 361 G HA2 -0.385 3.593 3.960 0.031 0.000 0.251 361 G HA3 -0.385 3.593 3.960 0.031 0.000 0.251 361 G C 1.202 176.040 174.900 -0.104 0.000 0.998 361 G CA 0.533 45.563 45.100 -0.117 0.000 0.621 361 G HN 0.804 nan 8.290 nan 0.000 0.524 362 S N 1.279 116.931 115.700 -0.080 0.000 2.387 362 S HA -0.140 4.348 4.470 0.031 0.000 0.230 362 S C 2.065 176.554 174.600 -0.184 0.000 1.035 362 S CA 1.887 60.047 58.200 -0.066 0.000 1.014 362 S CB -0.254 62.947 63.200 0.001 0.000 0.836 362 S HN 0.898 nan 8.310 nan 0.000 0.466 363 E N 0.701 120.849 120.200 -0.087 0.000 2.478 363 E HA -0.084 4.284 4.350 0.031 0.000 0.198 363 E C 0.782 177.236 176.600 -0.244 0.000 1.046 363 E CA 0.637 56.944 56.400 -0.155 0.000 0.870 363 E CB -0.152 29.593 29.700 0.075 0.000 0.818 363 E HN 0.394 nan 8.360 nan 0.000 0.527 364 Q N -0.034 119.662 119.800 -0.174 0.000 2.198 364 Q HA 0.083 4.442 4.340 0.031 0.000 0.209 364 Q C -0.646 175.335 176.000 -0.032 0.000 0.848 364 Q CA -0.475 55.283 55.803 -0.075 0.000 0.974 364 Q CB -0.230 28.504 28.738 -0.006 0.000 1.115 364 Q HN 0.312 nan 8.270 nan 0.000 0.494 365 Y N -0.878 119.405 120.300 -0.029 0.000 3.078 365 Y HA -0.276 4.309 4.550 0.058 0.000 0.202 365 Y C 0.271 176.186 175.900 0.024 0.000 1.322 365 Y CA 0.194 58.223 58.100 -0.118 0.000 1.118 365 Y CB -2.467 35.810 38.460 -0.305 0.000 1.343 365 Y HN 0.202 nan 8.280 nan 0.000 0.499 366 M N 0.598 120.253 119.600 0.092 0.000 2.219 366 M HA 0.221 4.720 4.480 0.031 0.000 0.353 366 M C 0.537 176.938 176.300 0.168 0.000 1.304 366 M CA 0.697 56.047 55.300 0.082 0.000 1.115 366 M CB 0.595 33.158 32.600 -0.061 0.000 1.664 366 M HN 0.327 nan 8.290 nan 0.000 0.459 367 S N 1.284 117.076 115.700 0.153 0.000 2.621 367 S HA 0.958 5.447 4.470 0.031 0.000 0.302 367 S C -0.065 174.575 174.600 0.066 0.000 1.093 367 S CA -0.811 57.466 58.200 0.128 0.000 1.017 367 S CB 2.095 65.349 63.200 0.090 0.000 1.077 367 S HN 0.958 nan 8.310 nan 0.000 0.517 368 G N -0.408 108.423 108.800 0.052 0.000 2.402 368 G HA2 0.493 4.472 3.960 0.031 0.000 0.301 368 G HA3 0.493 4.472 3.960 0.031 0.000 0.301 368 G C -0.336 174.585 174.900 0.034 0.000 1.615 368 G CA -0.340 44.782 45.100 0.035 0.000 0.889 368 G HN 0.883 nan 8.290 nan 0.000 0.647 369 G N -0.018 108.793 108.800 0.020 0.000 2.504 369 G HA2 0.465 4.443 3.960 0.031 0.000 0.257 369 G HA3 0.465 4.443 3.960 0.031 0.000 0.257 369 G C 0.307 175.220 174.900 0.021 0.000 1.451 369 G CA -0.557 44.552 45.100 0.015 0.000 1.059 369 G HN 0.672 nan 8.290 nan 0.000 0.550 370 N N 0.232 118.940 118.700 0.013 0.000 2.317 370 N HA 0.077 4.836 4.740 0.031 0.000 0.245 370 N C -0.046 175.471 175.510 0.012 0.000 1.294 370 N CA -0.315 52.742 53.050 0.011 0.000 0.924 370 N CB 0.522 39.011 38.487 0.002 0.000 1.186 370 N HN 0.502 nan 8.380 nan 0.000 0.495 371 D N 0.781 121.187 120.400 0.010 0.000 2.752 371 D HA -0.087 4.571 4.640 0.031 0.000 0.225 371 D C -1.523 174.800 176.300 0.038 0.000 1.104 371 D CA -0.441 53.576 54.000 0.030 0.000 0.832 371 D CB 0.532 41.347 40.800 0.026 0.000 1.161 371 D HN 0.317 nan 8.370 nan 0.000 0.505 372 P HA 0.078 nan 4.420 nan 0.000 0.257 372 P C 0.138 177.453 177.300 0.025 0.000 1.281 372 P CA -0.008 63.135 63.100 0.071 0.000 0.826 372 P CB 0.472 32.224 31.700 0.088 0.000 1.237 373 D N 1.300 121.710 120.400 0.018 0.000 2.312 373 D HA -0.072 4.587 4.640 0.031 0.000 0.211 373 D C 1.024 177.337 176.300 0.021 0.000 0.964 373 D CA 0.758 54.765 54.000 0.011 0.000 0.877 373 D CB -0.001 40.805 40.800 0.010 0.000 0.924 373 D HN 0.354 nan 8.370 nan 0.000 0.515 374 N N 0.128 118.851 118.700 0.038 0.000 2.383 374 N HA -0.045 4.714 4.740 0.031 0.000 0.192 374 N C 0.439 176.000 175.510 0.084 0.000 1.141 374 N CA 0.042 53.143 53.050 0.085 0.000 0.851 374 N CB -0.093 38.457 38.487 0.105 0.000 0.976 374 N HN 0.010 nan 8.380 nan 0.000 0.465 375 R N 0.078 120.585 120.500 0.012 0.000 2.865 375 R HA 0.458 4.817 4.340 0.031 0.000 0.370 375 R C -0.202 176.136 176.300 0.062 0.000 1.168 375 R CA -0.332 55.764 56.100 -0.006 0.000 1.058 375 R CB 0.803 31.018 30.300 -0.142 0.000 1.419 375 R HN 0.155 nan 8.270 nan 0.000 0.580 376 A N 1.190 124.034 122.820 0.040 0.000 2.327 376 A HA 0.264 4.603 4.320 0.031 0.000 0.255 376 A C 0.086 177.744 177.584 0.123 0.000 1.099 376 A CA -0.407 51.651 52.037 0.035 0.000 0.801 376 A CB 0.341 19.340 19.000 -0.002 0.000 1.062 376 A HN 0.450 nan 8.150 nan 0.000 0.496 377 R N 0.298 120.842 120.500 0.073 0.000 2.543 377 R HA 0.277 4.636 4.340 0.031 0.000 0.277 377 R C -0.466 175.877 176.300 0.072 0.000 1.074 377 R CA -0.617 55.540 56.100 0.095 0.000 1.076 377 R CB 0.213 30.527 30.300 0.023 0.000 0.993 377 R HN 0.596 nan 8.270 nan 0.000 0.459 378 L N 7.505 128.789 121.223 0.102 0.000 2.534 378 L HA 0.126 4.485 4.340 0.031 0.000 0.271 378 L C -1.692 175.018 176.870 -0.266 0.000 1.178 378 L CA -1.096 53.707 54.840 -0.060 0.000 0.907 378 L CB 0.856 42.870 42.059 -0.075 0.000 1.164 378 L HN 0.695 nan 8.230 nan 0.000 0.482 379 P HA 0.030 nan 4.420 nan 0.000 0.227 379 P C -0.664 176.476 177.300 -0.266 0.000 1.161 379 P CA 0.491 63.476 63.100 -0.192 0.000 0.788 379 P CB 0.382 32.025 31.700 -0.095 0.000 0.822 380 S N -1.508 113.936 115.700 -0.426 0.000 2.567 380 S HA 0.510 4.999 4.470 0.031 0.000 0.270 380 S C -0.834 173.350 174.600 -0.694 0.000 1.152 380 S CA -0.650 57.306 58.200 -0.406 0.000 0.835 380 S CB 0.421 63.531 63.200 -0.149 0.000 1.115 380 S HN -0.173 nan 8.310 nan 0.000 0.459 381 F N 1.328 121.147 119.950 -0.218 0.000 2.908 381 F HA 0.474 5.029 4.527 0.047 0.000 0.328 381 F C 1.115 176.894 175.800 -0.035 0.000 1.211 381 F CA -0.625 57.123 58.000 -0.420 0.000 1.291 381 F CB 0.698 39.341 39.000 -0.595 0.000 0.962 381 F HN 0.652 nan 8.300 nan 0.000 0.505 382 S N 0.465 116.232 115.700 0.113 0.000 2.531 382 S HA 0.145 4.634 4.470 0.031 0.000 0.279 382 S C 1.289 175.865 174.600 -0.040 0.000 1.305 382 S CA 0.084 58.316 58.200 0.053 0.000 1.058 382 S CB 0.459 63.676 63.200 0.029 0.000 0.899 382 S HN 0.478 nan 8.310 nan 0.000 0.493 383 T N 0.603 115.007 114.554 -0.250 0.000 3.163 383 T HA 0.120 4.489 4.350 0.031 0.000 0.252 383 T C 0.992 175.336 174.700 -0.594 0.000 1.056 383 T CA 0.276 61.834 62.100 -0.902 0.000 0.947 383 T CB -0.390 68.041 68.868 -0.729 0.000 1.016 383 T HN 0.667 nan 8.240 nan 0.000 0.554 384 T N -0.226 114.197 114.554 -0.217 0.000 3.174 384 T HA 0.227 4.596 4.350 0.031 0.000 0.269 384 T C 0.784 175.501 174.700 0.029 0.000 1.017 384 T CA -0.257 61.799 62.100 -0.072 0.000 0.899 384 T CB -0.408 68.441 68.868 -0.032 0.000 1.077 384 T HN 0.517 nan 8.240 nan 0.000 0.552 385 T N -0.679 113.922 114.554 0.079 0.000 2.899 385 T HA 0.231 4.600 4.350 0.031 0.000 0.295 385 T C 1.400 176.224 174.700 0.207 0.000 1.033 385 T CA -0.241 61.976 62.100 0.196 0.000 1.084 385 T CB 1.072 70.093 68.868 0.255 0.000 0.979 385 T HN 0.059 nan 8.240 nan 0.000 0.532 386 T N 1.728 116.425 114.554 0.239 0.000 2.788 386 T HA -0.025 4.343 4.350 0.031 0.000 0.268 386 T C 2.391 177.192 174.700 0.169 0.000 1.044 386 T CA 1.241 63.452 62.100 0.185 0.000 1.139 386 T CB -0.718 68.253 68.868 0.173 0.000 0.867 386 T HN 0.821 nan 8.240 nan 0.000 0.454 387 A N 0.344 123.268 122.820 0.172 0.000 1.933 387 A HA -0.079 4.260 4.320 0.031 0.000 0.218 387 A C 2.057 179.647 177.584 0.010 0.000 1.175 387 A CA 1.306 53.340 52.037 -0.005 0.000 0.628 387 A CB -0.967 17.842 19.000 -0.318 0.000 0.814 387 A HN 0.616 nan 8.150 nan 0.000 0.444 388 Y N 0.380 120.644 120.300 -0.060 0.000 2.181 388 Y HA -0.256 4.310 4.550 0.026 0.000 0.288 388 Y C 2.598 178.471 175.900 -0.046 0.000 1.146 388 Y CA 2.294 60.360 58.100 -0.056 0.000 1.164 388 Y CB -0.214 38.227 38.460 -0.031 0.000 0.982 388 Y HN 0.416 nan 8.280 nan 0.000 0.515 389 Q N -0.841 119.100 119.800 0.235 0.000 2.084 389 Q HA -0.189 4.169 4.340 0.031 0.000 0.202 389 Q C 2.298 178.316 176.000 0.030 0.000 0.978 389 Q CA 1.957 57.841 55.803 0.135 0.000 0.844 389 Q CB -0.267 28.542 28.738 0.118 0.000 0.898 389 Q HN 0.383 nan 8.270 nan 0.000 0.426 390 V N 1.031 120.953 119.914 0.013 0.000 2.261 390 V HA -0.279 3.860 4.120 0.031 0.000 0.246 390 V C 2.133 178.189 176.094 -0.063 0.000 1.047 390 V CA 1.739 64.025 62.300 -0.023 0.000 1.015 390 V CB -0.476 31.337 31.823 -0.016 0.000 0.642 390 V HN 0.348 nan 8.190 nan 0.000 0.446 391 I N -0.224 120.285 120.570 -0.100 0.000 2.208 391 I HA -0.330 3.859 4.170 0.031 0.000 0.245 391 I C 2.658 178.675 176.117 -0.168 0.000 1.097 391 I CA 2.015 63.228 61.300 -0.144 0.000 1.363 391 I CB -0.485 37.392 38.000 -0.205 0.000 1.051 391 I HN 0.391 nan 8.210 nan 0.000 0.413 392 Q N 1.461 121.143 119.800 -0.198 0.000 2.124 392 Q HA -0.236 4.122 4.340 0.031 0.000 0.202 392 Q C 2.070 178.021 176.000 -0.081 0.000 0.977 392 Q CA 1.654 57.364 55.803 -0.156 0.000 0.850 392 Q CB 0.103 28.788 28.738 -0.089 0.000 0.901 392 Q HN 0.470 nan 8.270 nan 0.000 0.429 393 K N -0.391 119.975 120.400 -0.056 0.000 2.186 393 K HA 0.027 4.366 4.320 0.031 0.000 0.202 393 K C 1.936 178.502 176.600 -0.057 0.000 1.052 393 K CA 0.635 56.896 56.287 -0.044 0.000 0.965 393 K CB 0.288 32.769 32.500 -0.031 0.000 0.746 393 K HN 0.250 nan 8.250 nan 0.000 0.457 394 L N -0.315 120.867 121.223 -0.068 0.000 2.357 394 L HA 0.134 4.493 4.340 0.031 0.000 0.211 394 L C 2.419 179.243 176.870 -0.076 0.000 1.075 394 L CA 0.250 55.047 54.840 -0.070 0.000 0.830 394 L CB -0.304 41.714 42.059 -0.069 0.000 0.996 394 L HN 0.075 nan 8.230 nan 0.000 0.467 395 A N 1.342 124.111 122.820 -0.085 0.000 1.883 395 A HA -0.127 4.212 4.320 0.031 0.000 0.217 395 A C -0.130 177.401 177.584 -0.088 0.000 1.186 395 A CA 1.659 53.644 52.037 -0.088 0.000 0.624 395 A CB -1.777 17.164 19.000 -0.099 0.000 0.822 395 A HN 0.251 nan 8.150 nan 0.000 0.444 396 P HA -0.148 nan 4.420 nan 0.000 0.217 396 P C 1.099 178.353 177.300 -0.077 0.000 1.148 396 P CA 0.748 63.803 63.100 -0.075 0.000 0.828 396 P CB -0.093 31.570 31.700 -0.061 0.000 0.783 397 L N -0.986 120.192 121.223 -0.075 0.000 2.265 397 L HA -0.111 4.247 4.340 0.031 0.000 0.215 397 L C 2.278 179.088 176.870 -0.099 0.000 1.117 397 L CA 1.648 56.444 54.840 -0.073 0.000 0.782 397 L CB -0.977 41.043 42.059 -0.065 0.000 0.914 397 L HN -0.046 nan 8.230 nan 0.000 0.441 398 R N -1.114 119.312 120.500 -0.123 0.000 2.193 398 R HA -0.035 4.323 4.340 0.031 0.000 0.213 398 R C 1.838 178.023 176.300 -0.192 0.000 1.055 398 R CA 0.371 56.365 56.100 -0.176 0.000 0.995 398 R CB -0.019 30.168 30.300 -0.188 0.000 0.893 398 R HN 0.218 nan 8.270 nan 0.000 0.459 399 K N 0.306 120.621 120.400 -0.142 0.000 2.098 399 K HA 0.016 4.355 4.320 0.031 0.000 0.203 399 K C 2.105 178.647 176.600 -0.096 0.000 1.051 399 K CA 1.458 57.671 56.287 -0.124 0.000 0.957 399 K CB 0.045 32.484 32.500 -0.101 0.000 0.738 399 K HN 0.137 nan 8.250 nan 0.000 0.447 400 S N 0.276 115.928 115.700 -0.080 0.000 2.478 400 S HA 0.046 4.534 4.470 0.031 0.000 0.222 400 S C 0.729 175.297 174.600 -0.053 0.000 1.008 400 S CA -0.077 58.088 58.200 -0.059 0.000 0.928 400 S CB -0.012 63.158 63.200 -0.049 0.000 0.781 400 S HN 0.048 nan 8.310 nan 0.000 0.518 401 N N 2.197 120.860 118.700 -0.062 0.000 2.524 401 N HA 0.375 5.133 4.740 0.031 0.000 0.261 401 N C -2.434 173.043 175.510 -0.056 0.000 0.998 401 N CA -2.167 50.861 53.050 -0.038 0.000 0.915 401 N CB 2.097 40.568 38.487 -0.027 0.000 1.187 401 N HN -0.003 nan 8.380 nan 0.000 0.507 402 P HA -0.031 nan 4.420 nan 0.000 0.230 402 P C 0.846 178.115 177.300 -0.052 0.000 1.158 402 P CA 0.472 63.547 63.100 -0.041 0.000 0.769 402 P CB 0.375 32.162 31.700 0.145 0.000 0.807 403 A N 0.239 123.104 122.820 0.075 0.000 1.930 403 A HA -0.111 4.227 4.320 0.031 0.000 0.217 403 A C 2.289 179.889 177.584 0.027 0.000 1.175 403 A CA 1.068 53.186 52.037 0.135 0.000 0.627 403 A CB -1.319 17.769 19.000 0.147 0.000 0.815 403 A HN 0.127 nan 8.150 nan 0.000 0.443 404 I N -0.532 120.012 120.570 -0.043 0.000 2.233 404 I HA -0.205 3.983 4.170 0.031 0.000 0.243 404 I C 2.949 178.944 176.117 -0.204 0.000 1.093 404 I CA 1.003 62.252 61.300 -0.084 0.000 1.380 404 I CB -0.287 37.662 38.000 -0.084 0.000 1.067 404 I HN 0.342 nan 8.210 nan 0.000 0.413 405 A N -0.201 122.405 122.820 -0.356 0.000 1.969 405 A HA -0.175 4.164 4.320 0.031 0.000 0.218 405 A C 1.681 178.779 177.584 -0.811 0.000 1.169 405 A CA 1.631 53.269 52.037 -0.665 0.000 0.635 405 A CB -0.516 17.903 19.000 -0.968 0.000 0.810 405 A HN 0.568 nan 8.150 nan 0.000 0.445 406 Y N -1.603 118.480 120.300 -0.362 0.000 2.540 406 Y HA 0.330 4.900 4.550 0.033 0.000 0.257 406 Y C 1.603 177.410 175.900 -0.156 0.000 1.090 406 Y CA -0.567 57.286 58.100 -0.411 0.000 1.242 406 Y CB 0.045 37.884 38.460 -1.035 0.000 1.325 406 Y HN 0.289 nan 8.280 nan 0.000 0.544 407 G N 1.058 109.905 108.800 0.078 0.000 2.634 407 G HA2 0.306 4.285 3.960 0.031 0.000 0.255 407 G HA3 0.306 4.285 3.960 0.031 0.000 0.255 407 G C 0.263 175.280 174.900 0.194 0.000 1.205 407 G CA -0.125 45.117 45.100 0.236 0.000 0.884 407 G HN 0.218 nan 8.290 nan 0.000 0.549 408 S N -1.084 114.742 115.700 0.210 0.000 2.596 408 S HA 0.511 5.000 4.470 0.031 0.000 0.260 408 S C 0.037 174.747 174.600 0.183 0.000 1.336 408 S CA -0.269 58.031 58.200 0.166 0.000 0.993 408 S CB 1.243 64.523 63.200 0.134 0.000 0.923 408 S HN 0.587 nan 8.310 nan 0.000 0.567 409 T N 1.380 116.044 114.554 0.183 0.000 2.848 409 T HA 0.501 4.869 4.350 0.031 0.000 0.285 409 T C -1.326 173.547 174.700 0.289 0.000 0.995 409 T CA -0.331 61.908 62.100 0.232 0.000 0.970 409 T CB 0.951 69.915 68.868 0.161 0.000 0.976 409 T HN 0.794 nan 8.240 nan 0.000 0.441 410 H N 1.940 121.132 119.070 0.204 0.000 3.108 410 H HA 0.306 4.881 4.556 0.031 0.000 0.329 410 H C -0.638 174.822 175.328 0.219 0.000 0.978 410 H CA -0.737 55.417 56.048 0.177 0.000 1.413 410 H CB 1.108 30.962 29.762 0.153 0.000 1.670 410 H HN 0.540 nan 8.280 nan 0.000 0.512 411 E N 4.368 124.703 120.200 0.224 0.000 2.344 411 E HA 0.090 4.458 4.350 0.031 0.000 0.270 411 E C -0.044 176.524 176.600 -0.054 0.000 1.021 411 E CA 0.000 56.480 56.400 0.132 0.000 0.887 411 E CB 0.532 30.306 29.700 0.123 0.000 0.997 411 E HN 0.819 nan 8.360 nan 0.000 0.429 412 R N 3.364 123.860 120.500 -0.006 0.000 2.469 412 R HA 0.137 4.495 4.340 0.031 0.000 0.250 412 R C -0.245 176.159 176.300 0.173 0.000 0.909 412 R CA -0.193 55.891 56.100 -0.026 0.000 1.050 412 R CB 0.941 31.211 30.300 -0.051 0.000 1.256 412 R HN 0.523 nan 8.270 nan 0.000 0.550 413 W N 0.842 122.150 121.300 0.013 0.000 3.573 413 W HA 0.596 5.274 4.660 0.030 0.000 0.306 413 W C -1.881 174.638 176.519 0.000 0.000 1.227 413 W CA -0.613 56.741 57.345 0.016 0.000 1.212 413 W CB 1.361 30.839 29.460 0.031 0.000 1.331 413 W HN -0.148 nan 8.180 nan 0.000 0.524 414 I N 6.127 126.512 120.570 -0.308 0.000 2.787 414 I HA 0.412 4.601 4.170 0.031 0.000 0.294 414 I C -1.440 174.347 176.117 -0.550 0.000 1.365 414 I CA -0.429 60.700 61.300 -0.286 0.000 1.029 414 I CB 1.620 39.421 38.000 -0.331 0.000 1.313 414 I HN 0.687 nan 8.210 nan 0.000 0.431 415 N N 3.410 121.916 118.700 -0.324 0.000 3.243 415 N HA 0.344 5.103 4.740 0.031 0.000 0.280 415 N C -0.506 174.932 175.510 -0.120 0.000 1.545 415 N CA -0.889 52.054 53.050 -0.178 0.000 0.854 415 N CB 0.704 39.143 38.487 -0.081 0.000 1.612 415 N HN 0.383 nan 8.380 nan 0.000 0.577 416 N N 0.181 118.910 118.700 0.048 0.000 2.096 416 N HA -0.163 4.596 4.740 0.031 0.000 0.195 416 N C 0.021 175.515 175.510 -0.026 0.000 1.017 416 N CA 1.810 54.889 53.050 0.048 0.000 0.870 416 N CB -0.408 38.124 38.487 0.076 0.000 1.024 416 N HN 0.511 nan 8.380 nan 0.000 0.434 417 D N -1.005 119.400 120.400 0.009 0.000 2.441 417 D HA 0.174 4.833 4.640 0.031 0.000 0.210 417 D C -0.336 175.997 176.300 0.054 0.000 1.102 417 D CA 0.111 54.120 54.000 0.014 0.000 0.840 417 D CB 1.145 41.971 40.800 0.044 0.000 0.990 417 D HN -0.089 nan 8.370 nan 0.000 0.505 418 V N 1.733 121.713 119.914 0.109 0.000 2.588 418 V HA 0.457 4.596 4.120 0.031 0.000 0.304 418 V C -0.502 175.715 176.094 0.204 0.000 1.042 418 V CA -0.844 61.578 62.300 0.202 0.000 0.877 418 V CB 2.904 34.931 31.823 0.341 0.000 0.996 418 V HN -0.075 nan 8.190 nan 0.000 0.425 419 I N 5.321 126.019 120.570 0.213 0.000 2.608 419 I HA 0.628 4.817 4.170 0.031 0.000 0.295 419 I C -1.381 174.933 176.117 0.329 0.000 1.049 419 I CA -0.755 60.692 61.300 0.244 0.000 1.063 419 I CB 1.979 40.095 38.000 0.192 0.000 1.248 419 I HN 0.544 nan 8.210 nan 0.000 0.424 420 I N 7.861 128.640 120.570 0.350 0.000 2.468 420 I HA 0.328 4.516 4.170 0.031 0.000 0.285 420 I C -1.401 174.891 176.117 0.291 0.000 1.039 420 I CA -0.639 60.827 61.300 0.277 0.000 1.074 420 I CB 1.532 39.703 38.000 0.284 0.000 1.228 420 I HN 0.456 nan 8.210 nan 0.000 0.436 421 Y N 3.017 123.423 120.300 0.176 0.000 2.602 421 Y HA 0.778 5.345 4.550 0.029 0.000 0.342 421 Y C -0.797 175.186 175.900 0.139 0.000 1.029 421 Y CA -1.439 56.749 58.100 0.148 0.000 1.080 421 Y CB 1.195 39.767 38.460 0.187 0.000 1.284 421 Y HN 0.494 nan 8.280 nan 0.000 0.485 422 E N 1.822 122.181 120.200 0.266 0.000 2.248 422 E HA 0.508 4.876 4.350 0.031 0.000 0.267 422 E C -1.238 175.531 176.600 0.282 0.000 0.877 422 E CA -1.137 55.376 56.400 0.187 0.000 0.759 422 E CB 1.152 30.944 29.700 0.154 0.000 1.182 422 E HN 0.625 nan 8.360 nan 0.000 0.418 423 R N 3.383 124.012 120.500 0.216 0.000 2.514 423 R HA 0.483 4.841 4.340 0.031 0.000 0.301 423 R C -0.624 175.791 176.300 0.192 0.000 0.962 423 R CA -0.688 55.540 56.100 0.214 0.000 0.882 423 R CB 1.589 31.991 30.300 0.170 0.000 1.143 423 R HN 0.432 nan 8.270 nan 0.000 0.452 424 K N 2.635 123.161 120.400 0.210 0.000 2.513 424 K HA 0.407 4.746 4.320 0.031 0.000 0.251 424 K C -1.788 174.982 176.600 0.283 0.000 0.939 424 K CA -0.648 55.766 56.287 0.212 0.000 0.793 424 K CB 1.812 34.419 32.500 0.178 0.000 1.241 424 K HN 0.441 nan 8.250 nan 0.000 0.431 425 F N 3.097 123.100 119.950 0.089 0.000 2.671 425 F HA 0.367 4.913 4.527 0.032 0.000 0.332 425 F C 0.376 176.209 175.800 0.055 0.000 1.189 425 F CA 0.713 58.760 58.000 0.078 0.000 0.988 425 F CB 1.084 40.150 39.000 0.110 0.000 1.258 425 F HN 0.866 nan 8.300 nan 0.000 0.471 426 G N 5.403 114.054 108.800 -0.249 0.000 2.565 426 G HA2 -0.358 3.620 3.960 0.031 0.000 0.295 426 G HA3 -0.358 3.620 3.960 0.031 0.000 0.295 426 G C 0.443 175.337 174.900 -0.010 0.000 1.165 426 G CA 0.482 45.467 45.100 -0.192 0.000 0.977 426 G HN 0.662 nan 8.290 nan 0.000 0.546 427 N N 2.295 121.024 118.700 0.047 0.000 2.282 427 N HA 0.121 4.880 4.740 0.031 0.000 0.240 427 N C -0.255 175.382 175.510 0.213 0.000 1.182 427 N CA -0.131 53.000 53.050 0.135 0.000 0.874 427 N CB 0.180 38.764 38.487 0.161 0.000 1.126 427 N HN 0.455 nan 8.380 nan 0.000 0.516 428 N N 1.001 119.800 118.700 0.165 0.000 2.479 428 N HA 0.284 5.043 4.740 0.031 0.000 0.285 428 N C -0.542 175.084 175.510 0.193 0.000 1.075 428 N CA 0.020 53.166 53.050 0.158 0.000 0.967 428 N CB 2.477 41.055 38.487 0.151 0.000 1.137 428 N HN -0.206 nan 8.380 nan 0.000 0.472 429 V N 0.634 120.667 119.914 0.199 0.000 2.841 429 V HA 0.764 4.903 4.120 0.031 0.000 0.310 429 V C -0.567 175.600 176.094 0.122 0.000 1.090 429 V CA -0.862 61.537 62.300 0.165 0.000 0.930 429 V CB 1.845 33.762 31.823 0.157 0.000 1.014 429 V HN 0.794 nan 8.190 nan 0.000 0.425 430 A N 3.382 126.255 122.820 0.088 0.000 2.422 430 A HA 0.933 5.272 4.320 0.031 0.000 0.302 430 A C -1.419 176.177 177.584 0.020 0.000 1.041 430 A CA -0.573 51.492 52.037 0.047 0.000 0.708 430 A CB 2.056 21.071 19.000 0.024 0.000 1.257 430 A HN 0.716 nan 8.150 nan 0.000 0.414 431 V N 2.086 122.004 119.914 0.008 0.000 2.588 431 V HA 0.601 4.740 4.120 0.031 0.000 0.304 431 V C -0.683 175.330 176.094 -0.136 0.000 1.042 431 V CA -0.510 61.788 62.300 -0.003 0.000 0.877 431 V CB 1.814 33.731 31.823 0.156 0.000 0.996 431 V HN 0.737 nan 8.190 nan 0.000 0.425 432 V N 3.304 122.984 119.914 -0.389 0.000 2.588 432 V HA 0.873 5.012 4.120 0.031 0.000 0.304 432 V C 0.057 175.964 176.094 -0.313 0.000 1.042 432 V CA -0.549 61.457 62.300 -0.490 0.000 0.877 432 V CB 1.834 33.239 31.823 -0.696 0.000 0.996 432 V HN 1.007 nan 8.190 nan 0.000 0.425 433 A N 6.130 128.833 122.820 -0.194 0.000 2.343 433 A HA 0.946 5.284 4.320 0.031 0.000 0.316 433 A C -0.916 176.697 177.584 0.048 0.000 1.104 433 A CA -0.478 51.583 52.037 0.039 0.000 0.768 433 A CB 0.861 19.985 19.000 0.208 0.000 1.213 433 A HN 0.774 nan 8.150 nan 0.000 0.456 434 I N 2.354 123.014 120.570 0.150 0.000 2.478 434 I HA 0.264 4.453 4.170 0.031 0.000 0.287 434 I C -0.721 175.505 176.117 0.181 0.000 1.042 434 I CA -0.716 60.687 61.300 0.171 0.000 1.067 434 I CB 2.274 40.436 38.000 0.270 0.000 1.233 434 I HN 0.641 nan 8.210 nan 0.000 0.431 435 N N 5.597 124.384 118.700 0.145 0.000 2.546 435 N HA 0.236 4.995 4.740 0.031 0.000 0.238 435 N C 0.812 176.405 175.510 0.139 0.000 0.984 435 N CA -0.726 52.400 53.050 0.126 0.000 0.935 435 N CB 0.860 39.403 38.487 0.093 0.000 1.122 435 N HN 0.612 nan 8.380 nan 0.000 0.510 436 R N 2.015 122.602 120.500 0.145 0.000 2.307 436 R HA 0.086 4.444 4.340 0.031 0.000 0.199 436 R C 0.061 176.422 176.300 0.102 0.000 1.000 436 R CA 0.040 56.234 56.100 0.157 0.000 1.023 436 R CB -0.095 30.271 30.300 0.110 0.000 0.908 436 R HN 0.279 nan 8.270 nan 0.000 0.473 437 N N 1.144 119.891 118.700 0.079 0.000 2.444 437 N HA 0.046 4.805 4.740 0.031 0.000 0.271 437 N C 0.302 175.850 175.510 0.064 0.000 1.069 437 N CA -0.160 52.926 53.050 0.061 0.000 0.965 437 N CB 1.052 39.570 38.487 0.052 0.000 1.092 437 N HN 0.118 nan 8.380 nan 0.000 0.476 438 M N 2.733 122.369 119.600 0.059 0.000 2.561 438 M HA 0.023 4.522 4.480 0.031 0.000 0.238 438 M C 0.249 176.575 176.300 0.044 0.000 1.131 438 M CA 0.459 55.793 55.300 0.056 0.000 1.046 438 M CB -1.018 31.616 32.600 0.058 0.000 1.532 438 M HN 0.593 nan 8.290 nan 0.000 0.497 439 N N -1.557 117.167 118.700 0.040 0.000 2.104 439 N HA 0.024 4.782 4.740 0.031 0.000 0.227 439 N C -0.293 175.236 175.510 0.032 0.000 1.321 439 N CA -0.064 53.005 53.050 0.033 0.000 0.877 439 N CB 0.185 38.689 38.487 0.027 0.000 1.117 439 N HN -0.153 nan 8.380 nan 0.000 0.486 440 T N 2.794 117.369 114.554 0.035 0.000 2.743 440 T HA 0.467 4.836 4.350 0.031 0.000 0.292 440 T C -2.805 171.916 174.700 0.035 0.000 0.972 440 T CA -1.318 60.802 62.100 0.033 0.000 0.967 440 T CB 1.831 70.720 68.868 0.036 0.000 0.926 440 T HN -0.014 nan 8.240 nan 0.000 0.459 441 P HA 0.323 nan 4.420 nan 0.000 0.267 441 P C -1.119 176.185 177.300 0.006 0.000 1.200 441 P CA -0.359 62.752 63.100 0.019 0.000 0.772 441 P CB 0.427 32.136 31.700 0.014 0.000 0.855 442 A N 2.148 124.954 122.820 -0.024 0.000 2.331 442 A HA 0.530 4.869 4.320 0.031 0.000 0.320 442 A C -0.186 177.294 177.584 -0.174 0.000 1.138 442 A CA -0.392 51.611 52.037 -0.057 0.000 0.790 442 A CB 0.621 19.590 19.000 -0.052 0.000 1.206 442 A HN 0.379 nan 8.150 nan 0.000 0.470 443 S N 2.528 118.135 115.700 -0.154 0.000 2.439 443 S HA 0.399 4.887 4.470 0.031 0.000 0.282 443 S C -0.108 174.253 174.600 -0.398 0.000 1.170 443 S CA -0.302 57.759 58.200 -0.232 0.000 1.054 443 S CB 0.042 63.182 63.200 -0.100 0.000 0.956 443 S HN 0.487 nan 8.310 nan 0.000 0.490 444 I N 4.690 124.821 120.570 -0.732 0.000 2.307 444 I HA 0.291 4.480 4.170 0.031 0.000 0.289 444 I C 0.751 176.505 176.117 -0.605 0.000 1.021 444 I CA -0.355 60.316 61.300 -1.048 0.000 1.224 444 I CB 0.342 37.353 38.000 -1.648 0.000 1.376 444 I HN 0.571 nan 8.210 nan 0.000 0.470 445 T N 0.715 115.128 114.554 -0.235 0.000 2.887 445 T HA 0.696 5.065 4.350 0.031 0.000 0.288 445 T C 0.670 175.444 174.700 0.123 0.000 1.021 445 T CA -0.066 62.010 62.100 -0.041 0.000 1.000 445 T CB 2.121 71.008 68.868 0.032 0.000 1.034 445 T HN 0.995 nan 8.240 nan 0.000 0.467 446 G N 0.835 109.701 108.800 0.110 0.000 2.141 446 G HA2 -0.166 3.813 3.960 0.031 0.000 0.242 446 G HA3 -0.166 3.813 3.960 0.031 0.000 0.242 446 G C -0.181 174.854 174.900 0.224 0.000 0.982 446 G CA -0.045 45.165 45.100 0.182 0.000 0.662 446 G HN 1.146 nan 8.290 nan 0.000 0.527 447 L N 1.549 122.854 121.223 0.137 0.000 2.361 447 L HA 0.676 5.035 4.340 0.031 0.000 0.278 447 L C 0.171 177.098 176.870 0.095 0.000 1.113 447 L CA -0.554 54.371 54.840 0.142 0.000 0.849 447 L CB 1.399 43.505 42.059 0.080 0.000 1.155 447 L HN 0.084 nan 8.230 nan 0.000 0.452 448 V N 5.060 125.031 119.914 0.094 0.000 2.459 448 V HA 0.691 4.830 4.120 0.031 0.000 0.295 448 V C 0.362 176.476 176.094 0.033 0.000 1.029 448 V CA -0.023 62.308 62.300 0.052 0.000 0.874 448 V CB 1.733 33.593 31.823 0.062 0.000 0.985 448 V HN 0.989 nan 8.190 nan 0.000 0.438 449 T N 0.692 115.247 114.554 0.002 0.000 0.000 449 T HA 0.381 4.750 4.350 0.031 0.000 0.000 449 T C 0.463 175.164 174.700 0.000 0.000 0.000 449 T CA -0.461 61.635 62.100 -0.007 0.000 0.000 449 T CB 1.896 70.726 68.868 -0.063 0.000 0.000 449 T HN 0.333 nan 8.240 nan 0.000 0.000 450 S N 0.150 115.857 115.700 0.012 0.000 2.614 450 S HA 0.322 4.811 4.470 0.031 0.000 0.230 450 S C 0.488 175.060 174.600 -0.047 0.000 0.952 450 S CA -0.518 57.690 58.200 0.013 0.000 0.949 450 S CB -0.751 62.488 63.200 0.065 0.000 0.786 450 S HN 0.454 nan 8.310 nan 0.000 0.478 451 L N 2.583 123.736 121.223 -0.116 0.000 2.397 451 L HA 0.281 4.640 4.340 0.031 0.000 0.271 451 L C -2.207 174.559 176.870 -0.173 0.000 1.148 451 L CA -2.082 52.630 54.840 -0.214 0.000 0.825 451 L CB 0.005 41.796 42.059 -0.448 0.000 1.117 451 L HN -0.038 nan 8.230 nan 0.000 0.456 452 P HA 0.054 nan 4.420 nan 0.000 0.270 452 P C -0.826 176.468 177.300 -0.010 0.000 1.227 452 P CA -0.238 62.749 63.100 -0.188 0.000 0.788 452 P CB 0.399 31.856 31.700 -0.405 0.000 0.926 453 R N 0.864 121.349 120.500 -0.024 0.000 2.590 453 R HA 0.545 4.903 4.340 0.031 0.000 0.274 453 R C 0.745 177.043 176.300 -0.003 0.000 1.061 453 R CA 0.368 56.470 56.100 0.004 0.000 1.081 453 R CB -0.254 30.032 30.300 -0.022 0.000 0.984 453 R HN 0.808 nan 8.270 nan 0.000 0.448 454 G N 0.272 109.060 108.800 -0.020 0.000 2.369 454 G HA2 0.019 3.997 3.960 0.031 0.000 0.293 454 G HA3 0.019 3.997 3.960 0.031 0.000 0.293 454 G C -1.400 173.342 174.900 -0.263 0.000 1.301 454 G CA -0.918 44.073 45.100 -0.181 0.000 0.913 454 G HN 0.433 nan 8.290 nan 0.000 0.540 455 S N -0.596 114.872 115.700 -0.388 0.000 2.509 455 S HA 0.757 5.245 4.470 0.031 0.000 0.297 455 S C -1.394 172.876 174.600 -0.550 0.000 1.118 455 S CA -0.270 57.745 58.200 -0.309 0.000 1.074 455 S CB 1.039 64.137 63.200 -0.170 0.000 1.038 455 S HN 0.451 nan 8.310 nan 0.000 0.498 456 Y N 1.853 122.096 120.300 -0.095 0.000 2.331 456 Y HA 0.354 4.922 4.550 0.031 0.000 0.334 456 Y C 0.705 176.667 175.900 0.103 0.000 0.960 456 Y CA -0.909 57.195 58.100 0.006 0.000 1.130 456 Y CB 1.055 39.491 38.460 -0.040 0.000 1.164 456 Y HN 0.558 nan 8.280 nan 0.000 0.458 457 N N 1.929 120.768 118.700 0.232 0.000 2.525 457 N HA -0.024 4.735 4.740 0.031 0.000 0.271 457 N C -0.821 174.884 175.510 0.325 0.000 1.194 457 N CA -0.191 52.987 53.050 0.214 0.000 0.964 457 N CB 0.869 39.426 38.487 0.116 0.000 1.126 457 N HN 0.704 nan 8.380 nan 0.000 0.452 458 D N 0.969 121.510 120.400 0.237 0.000 2.417 458 D HA -0.015 4.644 4.640 0.031 0.000 0.250 458 D C 1.066 177.356 176.300 -0.017 0.000 1.166 458 D CA -0.167 53.837 54.000 0.005 0.000 0.881 458 D CB 0.893 41.673 40.800 -0.032 0.000 1.164 458 D HN 0.117 nan 8.370 nan 0.000 0.467 459 V N 4.265 124.137 119.914 -0.071 0.000 2.490 459 V HA -0.200 3.939 4.120 0.031 0.000 0.250 459 V C 2.174 178.239 176.094 -0.048 0.000 1.061 459 V CA 1.260 63.538 62.300 -0.037 0.000 1.064 459 V CB -0.497 31.295 31.823 -0.052 0.000 0.670 459 V HN 0.642 nan 8.190 nan 0.000 0.461 460 L N 0.540 121.713 121.223 -0.083 0.000 2.610 460 L HA 0.187 4.546 4.340 0.031 0.000 0.232 460 L C 1.790 178.645 176.870 -0.026 0.000 1.149 460 L CA 0.809 55.614 54.840 -0.057 0.000 0.872 460 L CB -0.763 41.248 42.059 -0.080 0.000 0.992 460 L HN 0.530 nan 8.230 nan 0.000 0.447 461 G N -0.051 108.741 108.800 -0.014 0.000 2.203 461 G HA2 -0.278 3.701 3.960 0.031 0.000 0.263 461 G HA3 -0.278 3.701 3.960 0.031 0.000 0.263 461 G C 1.002 175.910 174.900 0.013 0.000 1.012 461 G CA 0.350 45.455 45.100 0.008 0.000 0.749 461 G HN 0.708 nan 8.290 nan 0.000 0.512 462 G N -0.861 107.943 108.800 0.006 0.000 2.176 462 G HA2 -0.277 3.701 3.960 0.031 0.000 0.253 462 G HA3 -0.277 3.701 3.960 0.031 0.000 0.253 462 G C 1.343 176.253 174.900 0.015 0.000 0.979 462 G CA 1.056 46.166 45.100 0.017 0.000 0.641 462 G HN 1.842 nan 8.290 nan 0.000 0.530 463 I N -1.671 118.905 120.570 0.011 0.000 2.394 463 I HA 0.217 4.405 4.170 0.031 0.000 0.251 463 I C 1.700 177.829 176.117 0.020 0.000 1.136 463 I CA 1.161 62.473 61.300 0.020 0.000 1.425 463 I CB -0.235 37.781 38.000 0.026 0.000 1.079 463 I HN 0.170 nan 8.210 nan 0.000 0.425 464 L N 2.530 123.757 121.223 0.006 0.000 3.034 464 L HA 0.312 4.671 4.340 0.031 0.000 0.245 464 L C -0.061 176.819 176.870 0.015 0.000 1.295 464 L CA -0.213 54.634 54.840 0.012 0.000 1.068 464 L CB -0.739 41.319 42.059 -0.003 0.000 1.426 464 L HN 0.315 nan 8.230 nan 0.000 0.531 465 N N 0.475 119.189 118.700 0.024 0.000 2.725 465 N HA -0.147 4.611 4.740 0.031 0.000 0.249 465 N C 0.627 176.164 175.510 0.045 0.000 1.103 465 N CA 0.952 54.024 53.050 0.037 0.000 0.707 465 N CB -0.973 37.541 38.487 0.045 0.000 1.043 465 N HN 0.616 nan 8.380 nan 0.000 0.553 466 G N 0.323 109.136 108.800 0.020 0.000 2.616 466 G HA2 0.444 4.423 3.960 0.031 0.000 0.268 466 G HA3 0.444 4.423 3.960 0.031 0.000 0.268 466 G C 0.434 175.387 174.900 0.089 0.000 1.213 466 G CA -0.201 44.913 45.100 0.023 0.000 0.926 466 G HN 0.460 nan 8.290 nan 0.000 0.523 467 N N -1.683 117.123 118.700 0.175 0.000 2.697 467 N HA 0.302 5.061 4.740 0.031 0.000 0.272 467 N C -1.034 174.642 175.510 0.275 0.000 1.381 467 N CA -0.617 52.539 53.050 0.178 0.000 0.797 467 N CB 1.189 39.769 38.487 0.155 0.000 1.523 467 N HN 0.297 nan 8.380 nan 0.000 0.518 468 T N 1.013 115.647 114.554 0.133 0.000 2.884 468 T HA 0.267 4.636 4.350 0.031 0.000 0.298 468 T C -0.074 174.511 174.700 -0.193 0.000 0.998 468 T CA -0.232 61.911 62.100 0.072 0.000 1.124 468 T CB 0.214 69.095 68.868 0.021 0.000 0.931 468 T HN 0.341 nan 8.240 nan 0.000 0.531 469 L N 3.780 124.721 121.223 -0.470 0.000 2.295 469 L HA 0.481 4.840 4.340 0.031 0.000 0.285 469 L C -0.031 176.623 176.870 -0.360 0.000 1.035 469 L CA 0.041 54.364 54.840 -0.861 0.000 0.806 469 L CB 1.551 42.569 42.059 -1.735 0.000 1.214 469 L HN 0.575 nan 8.230 nan 0.000 0.426 470 T N 4.549 118.931 114.554 -0.287 0.000 2.772 470 T HA 0.518 4.887 4.350 0.031 0.000 0.288 470 T C -0.573 174.062 174.700 -0.109 0.000 0.994 470 T CA -0.329 61.693 62.100 -0.130 0.000 0.951 470 T CB 1.090 69.897 68.868 -0.101 0.000 0.933 470 T HN 0.313 nan 8.240 nan 0.000 0.447 471 V N 3.534 123.433 119.914 -0.025 0.000 2.394 471 V HA 0.690 4.828 4.120 0.031 0.000 0.282 471 V C 0.944 177.030 176.094 -0.013 0.000 1.031 471 V CA -0.417 61.867 62.300 -0.026 0.000 0.881 471 V CB 1.573 33.407 31.823 0.018 0.000 0.982 471 V HN 0.996 nan 8.190 nan 0.000 0.451 472 G N 2.798 111.585 108.800 -0.022 0.000 2.641 472 G HA2 0.648 4.626 3.960 0.031 0.000 0.239 472 G HA3 0.648 4.626 3.960 0.031 0.000 0.239 472 G C 0.014 174.906 174.900 -0.014 0.000 1.402 472 G CA -0.169 44.922 45.100 -0.017 0.000 1.046 472 G HN 1.025 nan 8.290 nan 0.000 0.565 473 A N -1.877 120.936 122.820 -0.011 0.000 2.425 473 A HA 0.528 4.867 4.320 0.031 0.000 0.249 473 A C 1.424 179.004 177.584 -0.007 0.000 1.084 473 A CA 1.062 53.093 52.037 -0.010 0.000 0.781 473 A CB -0.265 18.731 19.000 -0.007 0.000 1.019 473 A HN 2.497 nan 8.150 nan 0.000 0.490 474 G N 0.419 109.214 108.800 -0.008 0.000 2.148 474 G HA2 0.152 4.130 3.960 0.031 0.000 0.254 474 G HA3 0.152 4.130 3.960 0.031 0.000 0.254 474 G C 1.617 176.514 174.900 -0.004 0.000 0.981 474 G CA 1.004 46.103 45.100 -0.002 0.000 0.670 474 G HN 2.800 nan 8.290 nan 0.000 0.528 475 G N -1.424 107.365 108.800 -0.018 0.000 2.179 475 G HA2 0.173 4.152 3.960 0.031 0.000 0.260 475 G HA3 0.173 4.152 3.960 0.031 0.000 0.260 475 G C 0.816 175.700 174.900 -0.026 0.000 0.977 475 G CA 1.214 46.297 45.100 -0.029 0.000 0.641 475 G HN 2.332 nan 8.290 nan 0.000 0.533 476 A N 0.271 123.085 122.820 -0.010 0.000 2.409 476 A HA 0.810 5.149 4.320 0.031 0.000 0.267 476 A C 0.816 178.391 177.584 -0.015 0.000 1.127 476 A CA 0.995 53.032 52.037 0.001 0.000 0.795 476 A CB 0.517 19.525 19.000 0.013 0.000 1.061 476 A HN 2.039 nan 8.150 nan 0.000 0.502 477 A N 3.058 125.870 122.820 -0.014 0.000 2.354 477 A HA 0.573 4.912 4.320 0.031 0.000 0.269 477 A C 0.777 178.374 177.584 0.022 0.000 1.109 477 A CA -0.311 51.707 52.037 -0.032 0.000 0.800 477 A CB 0.059 19.033 19.000 -0.043 0.000 1.045 477 A HN 0.920 nan 8.150 nan 0.000 0.489 478 S N 1.590 117.293 115.700 0.005 0.000 2.560 478 S HA 0.019 4.508 4.470 0.031 0.000 0.284 478 S C 0.480 175.157 174.600 0.128 0.000 1.327 478 S CA -0.135 58.087 58.200 0.037 0.000 1.055 478 S CB -0.077 63.127 63.200 0.008 0.000 0.868 478 S HN 0.768 nan 8.310 nan 0.000 0.506 479 N N 1.820 120.568 118.700 0.079 0.000 2.412 479 N HA 0.333 5.092 4.740 0.031 0.000 0.254 479 N C -0.516 175.073 175.510 0.132 0.000 1.232 479 N CA 0.269 53.342 53.050 0.039 0.000 0.880 479 N CB 0.155 38.631 38.487 -0.018 0.000 1.076 479 N HN 0.560 nan 8.380 nan 0.000 0.458 480 F N -1.752 118.140 119.950 -0.096 0.000 2.662 480 F HA 0.530 5.075 4.527 0.030 0.000 0.312 480 F C -0.758 174.998 175.800 -0.073 0.000 1.113 480 F CA -1.113 56.843 58.000 -0.074 0.000 0.951 480 F CB 1.207 40.159 39.000 -0.080 0.000 1.344 480 F HN 0.028 nan 8.300 nan 0.000 0.462 481 T N 3.081 117.673 114.554 0.062 0.000 2.771 481 T HA 0.466 4.835 4.350 0.031 0.000 0.281 481 T C -1.160 173.613 174.700 0.123 0.000 0.982 481 T CA -0.345 61.736 62.100 -0.031 0.000 0.978 481 T CB 1.156 70.033 68.868 0.016 0.000 0.930 481 T HN 0.640 nan 8.240 nan 0.000 0.447 482 L N 4.992 126.222 121.223 0.011 0.000 2.268 482 L HA 0.663 5.022 4.340 0.031 0.000 0.289 482 L C 0.610 177.527 176.870 0.079 0.000 1.064 482 L CA -0.564 54.360 54.840 0.140 0.000 0.824 482 L CB -0.557 41.545 42.059 0.072 0.000 1.202 482 L HN 0.777 nan 8.230 nan 0.000 0.433 483 A N 6.883 129.765 122.820 0.102 0.000 2.567 483 A HA 0.284 4.623 4.320 0.031 0.000 0.236 483 A C -2.208 175.413 177.584 0.062 0.000 1.088 483 A CA -0.533 51.547 52.037 0.072 0.000 0.776 483 A CB -0.960 18.084 19.000 0.074 0.000 1.033 483 A HN 0.710 nan 8.150 nan 0.000 0.513 484 P HA 0.291 nan 4.420 nan 0.000 0.267 484 P C 0.856 178.193 177.300 0.061 0.000 1.209 484 P CA 1.730 64.863 63.100 0.054 0.000 0.763 484 P CB 0.604 32.332 31.700 0.046 0.000 0.816 485 G N 2.507 111.350 108.800 0.072 0.000 2.155 485 G HA2 -0.196 3.783 3.960 0.031 0.000 0.257 485 G HA3 -0.196 3.783 3.960 0.031 0.000 0.257 485 G C 0.626 175.570 174.900 0.072 0.000 0.983 485 G CA -0.165 44.983 45.100 0.079 0.000 0.676 485 G HN 0.866 nan 8.290 nan 0.000 0.528 486 G N -0.378 108.465 108.800 0.072 0.000 2.406 486 G HA2 0.556 4.535 3.960 0.031 0.000 0.251 486 G HA3 0.556 4.535 3.960 0.031 0.000 0.251 486 G C -0.070 174.858 174.900 0.047 0.000 1.271 486 G CA 0.912 46.049 45.100 0.063 0.000 0.859 486 G HN 0.716 nan 8.290 nan 0.000 0.540 487 T N 0.366 114.920 114.554 -0.001 0.000 2.921 487 T HA 0.687 5.056 4.350 0.031 0.000 0.297 487 T C -0.301 174.299 174.700 -0.167 0.000 1.013 487 T CA -0.117 61.947 62.100 -0.060 0.000 0.990 487 T CB 1.866 70.705 68.868 -0.048 0.000 1.023 487 T HN 1.076 nan 8.240 nan 0.000 0.447 488 A N 2.311 124.921 122.820 -0.349 0.000 2.486 488 A HA 0.865 5.204 4.320 0.031 0.000 0.300 488 A C -1.264 175.729 177.584 -0.984 0.000 1.048 488 A CA -0.702 50.923 52.037 -0.686 0.000 0.696 488 A CB 1.578 20.064 19.000 -0.856 0.000 1.278 488 A HN 0.667 nan 8.150 nan 0.000 0.405 489 V N 2.299 121.672 119.914 -0.902 0.000 2.588 489 V HA 0.621 4.759 4.120 0.031 0.000 0.304 489 V C -1.047 174.646 176.094 -0.667 0.000 1.042 489 V CA -0.498 61.419 62.300 -0.640 0.000 0.877 489 V CB 1.539 33.179 31.823 -0.305 0.000 0.996 489 V HN 0.842 nan 8.190 nan 0.000 0.425 490 W N 3.611 124.859 121.300 -0.086 0.000 2.844 490 W HA 0.740 5.421 4.660 0.035 0.000 0.340 490 W C -0.345 176.122 176.519 -0.086 0.000 1.093 490 W CA -0.614 56.686 57.345 -0.075 0.000 1.212 490 W CB 2.173 31.529 29.460 -0.172 0.000 1.422 490 W HN 0.721 nan 8.180 nan 0.000 0.515 491 Q N 1.052 120.977 119.800 0.208 0.000 2.565 491 Q HA 0.670 5.029 4.340 0.031 0.000 0.294 491 Q C -2.267 173.902 176.000 0.282 0.000 1.005 491 Q CA -1.086 54.811 55.803 0.156 0.000 0.771 491 Q CB 3.444 32.248 28.738 0.109 0.000 1.486 491 Q HN 0.365 nan 8.270 nan 0.000 0.422 492 Y N 0.760 121.118 120.300 0.097 0.000 2.401 492 Y HA 0.521 5.089 4.550 0.031 0.000 0.330 492 Y C -1.649 174.308 175.900 0.095 0.000 1.071 492 Y CA -0.156 58.029 58.100 0.142 0.000 1.049 492 Y CB 2.250 40.791 38.460 0.134 0.000 1.239 492 Y HN 0.904 nan 8.280 nan 0.000 0.437 493 T N 1.800 116.059 114.554 -0.491 0.000 2.912 493 T HA 0.809 5.177 4.350 0.031 0.000 0.288 493 T C -0.565 173.699 174.700 -0.727 0.000 1.030 493 T CA -0.805 61.040 62.100 -0.424 0.000 1.020 493 T CB 2.077 70.834 68.868 -0.185 0.000 1.056 493 T HN 0.711 nan 8.240 nan 0.000 0.480 494 T N 0.376 114.691 114.554 -0.399 0.000 2.840 494 T HA 0.395 4.763 4.350 0.031 0.000 0.317 494 T C -1.772 172.874 174.700 -0.091 0.000 1.401 494 T CA -0.665 61.282 62.100 -0.256 0.000 1.028 494 T CB 1.640 70.400 68.868 -0.180 0.000 1.317 494 T HN 0.693 nan 8.240 nan 0.000 0.495 495 D N 1.627 121.998 120.400 -0.048 0.000 2.339 495 D HA 0.568 5.226 4.640 0.031 0.000 0.245 495 D C 0.007 176.298 176.300 -0.016 0.000 1.115 495 D CA -0.006 53.979 54.000 -0.026 0.000 0.917 495 D CB 1.367 42.156 40.800 -0.018 0.000 1.192 495 D HN 0.706 nan 8.370 nan 0.000 0.428 496 A N 0.461 123.265 122.820 -0.027 0.000 2.306 496 A HA 0.450 4.789 4.320 0.031 0.000 0.314 496 A C 1.091 178.657 177.584 -0.030 0.000 1.164 496 A CA -0.407 51.603 52.037 -0.045 0.000 0.822 496 A CB 0.593 19.535 19.000 -0.097 0.000 1.130 496 A HN 0.582 nan 8.150 nan 0.000 0.496 497 T N -0.763 113.776 114.554 -0.025 0.000 3.010 497 T HA 0.142 4.510 4.350 0.031 0.000 0.252 497 T C 0.821 175.524 174.700 0.005 0.000 1.047 497 T CA 1.198 63.296 62.100 -0.003 0.000 1.140 497 T CB -0.178 68.690 68.868 0.001 0.000 0.885 497 T HN 0.514 nan 8.240 nan 0.000 0.464 498 T N 3.250 117.793 114.554 -0.018 0.000 2.918 498 T HA 0.538 4.907 4.350 0.031 0.000 0.286 498 T C -2.888 171.804 174.700 -0.013 0.000 1.026 498 T CA -1.534 60.564 62.100 -0.003 0.000 1.031 498 T CB 1.695 70.549 68.868 -0.023 0.000 1.046 498 T HN -0.019 nan 8.240 nan 0.000 0.479 499 P HA 0.245 nan 4.420 nan 0.000 0.271 499 P C -0.919 176.379 177.300 -0.003 0.000 1.226 499 P CA -0.125 63.046 63.100 0.118 0.000 0.765 499 P CB 0.182 32.034 31.700 0.254 0.000 0.835 500 I N 4.742 125.228 120.570 -0.139 0.000 2.447 500 I HA 0.360 4.549 4.170 0.031 0.000 0.287 500 I C 0.229 176.329 176.117 -0.028 0.000 1.023 500 I CA -0.733 60.436 61.300 -0.218 0.000 1.083 500 I CB 1.523 39.067 38.000 -0.760 0.000 1.245 500 I HN 0.233 nan 8.210 nan 0.000 0.434 501 I N 4.683 125.333 120.570 0.133 0.000 2.342 501 I HA 0.301 4.490 4.170 0.031 0.000 0.291 501 I C 1.292 177.536 176.117 0.212 0.000 1.010 501 I CA 0.157 61.562 61.300 0.175 0.000 1.308 501 I CB 1.793 39.886 38.000 0.154 0.000 1.400 501 I HN 0.809 nan 8.210 nan 0.000 0.488 502 G N 5.033 113.796 108.800 -0.062 0.000 2.651 502 G HA2 0.032 4.011 3.960 0.031 0.000 0.207 502 G HA3 0.032 4.011 3.960 0.031 0.000 0.207 502 G C 0.371 175.248 174.900 -0.039 0.000 1.131 502 G CA 0.299 45.222 45.100 -0.295 0.000 0.816 502 G HN 0.528 nan 8.290 nan 0.000 0.534 503 N N -1.377 117.195 118.700 -0.213 0.000 2.859 503 N HA 0.455 5.214 4.740 0.031 0.000 0.250 503 N C -1.976 173.260 175.510 -0.457 0.000 1.341 503 N CA -0.299 52.639 53.050 -0.186 0.000 0.881 503 N CB 2.072 40.609 38.487 0.083 0.000 1.516 503 N HN -0.118 nan 8.380 nan 0.000 0.503 504 V N 0.243 119.851 119.914 -0.509 0.000 2.760 504 V HA 0.926 5.065 4.120 0.031 0.000 0.309 504 V C 0.091 176.167 176.094 -0.031 0.000 1.077 504 V CA -0.565 61.535 62.300 -0.333 0.000 0.910 504 V CB 1.704 33.283 31.823 -0.408 0.000 1.008 504 V HN 0.805 nan 8.190 nan 0.000 0.424 505 G N 4.451 113.275 108.800 0.040 0.000 2.719 505 G HA2 0.736 4.714 3.960 0.031 0.000 0.298 505 G HA3 0.736 4.714 3.960 0.031 0.000 0.298 505 G C -3.246 171.732 174.900 0.130 0.000 1.411 505 G CA -1.241 43.930 45.100 0.119 0.000 0.991 505 G HN 0.489 nan 8.290 nan 0.000 0.509 506 P HA 0.176 nan 4.420 nan 0.000 0.275 506 P C 0.284 177.665 177.300 0.133 0.000 1.270 506 P CA -0.178 62.987 63.100 0.110 0.000 0.791 506 P CB 1.130 32.856 31.700 0.043 0.000 1.089 507 M N -0.966 118.598 119.600 -0.061 0.000 2.347 507 M HA 0.308 4.806 4.480 0.031 0.000 0.302 507 M C 0.483 176.349 176.300 -0.725 0.000 1.051 507 M CA 0.397 55.534 55.300 -0.271 0.000 0.988 507 M CB 0.243 32.825 32.600 -0.030 0.000 1.475 507 M HN 0.412 nan 8.290 nan 0.000 0.530 508 M N 1.320 120.598 119.600 -0.536 0.000 2.234 508 M HA 0.643 5.142 4.480 0.031 0.000 0.267 508 M C -2.189 173.959 176.300 -0.254 0.000 1.022 508 M CA -0.113 54.924 55.300 -0.438 0.000 0.993 508 M CB 2.145 34.591 32.600 -0.256 0.000 1.836 508 M HN 0.092 nan 8.290 nan 0.000 0.479 509 A N 3.824 126.542 122.820 -0.169 0.000 2.566 509 A HA 0.677 5.016 4.320 0.031 0.000 0.290 509 A C -1.845 175.747 177.584 0.013 0.000 1.071 509 A CA -0.945 51.071 52.037 -0.035 0.000 0.658 509 A CB 1.669 20.697 19.000 0.046 0.000 1.285 509 A HN 0.871 nan 8.150 nan 0.000 0.427 510 K N -0.165 120.239 120.400 0.007 0.000 2.148 510 K HA 0.721 5.059 4.320 0.031 0.000 0.239 510 K C -2.764 173.828 176.600 -0.014 0.000 1.018 510 K CA -1.757 54.531 56.287 0.002 0.000 0.923 510 K CB 0.255 32.751 32.500 -0.007 0.000 1.117 510 K HN 0.267 nan 8.250 nan 0.000 0.477 511 P HA -0.003 nan 4.420 nan 0.000 0.265 511 P C 0.357 177.609 177.300 -0.080 0.000 1.193 511 P CA 1.182 64.225 63.100 -0.095 0.000 0.765 511 P CB 0.639 32.281 31.700 -0.098 0.000 0.823 512 G N 1.016 109.753 108.800 -0.105 0.000 2.259 512 G HA2 -0.204 3.775 3.960 0.031 0.000 0.217 512 G HA3 -0.204 3.775 3.960 0.031 0.000 0.217 512 G C 0.070 174.933 174.900 -0.062 0.000 1.001 512 G CA -0.206 44.846 45.100 -0.080 0.000 0.627 512 G HN 0.526 nan 8.290 nan 0.000 0.501 513 V N 2.385 122.273 119.914 -0.043 0.000 2.686 513 V HA 0.461 4.600 4.120 0.031 0.000 0.295 513 V C 0.976 177.062 176.094 -0.013 0.000 1.055 513 V CA 0.589 62.877 62.300 -0.018 0.000 1.050 513 V CB 1.427 33.260 31.823 0.015 0.000 0.984 513 V HN 0.312 nan 8.190 nan 0.000 0.482 514 T N 6.693 121.237 114.554 -0.017 0.000 2.737 514 T HA 0.476 4.845 4.350 0.031 0.000 0.296 514 T C 0.006 174.719 174.700 0.021 0.000 0.922 514 T CA 0.047 62.139 62.100 -0.013 0.000 1.079 514 T CB -0.092 68.757 68.868 -0.032 0.000 0.892 514 T HN 0.580 nan 8.240 nan 0.000 0.514 515 I N 0.431 121.028 120.570 0.045 0.000 2.676 515 I HA 0.707 4.896 4.170 0.031 0.000 0.309 515 I C -0.105 176.008 176.117 -0.006 0.000 0.990 515 I CA -0.747 60.596 61.300 0.072 0.000 1.168 515 I CB 1.675 39.772 38.000 0.161 0.000 1.343 515 I HN 0.264 nan 8.210 nan 0.000 0.482 516 T N 5.419 119.960 114.554 -0.021 0.000 2.779 516 T HA 0.601 4.969 4.350 0.031 0.000 0.280 516 T C -0.228 174.400 174.700 -0.120 0.000 0.987 516 T CA -0.230 61.828 62.100 -0.071 0.000 0.966 516 T CB 0.957 69.801 68.868 -0.041 0.000 0.933 516 T HN 0.377 nan 8.240 nan 0.000 0.442 517 I N 3.530 123.987 120.570 -0.188 0.000 2.389 517 I HA 0.380 4.569 4.170 0.031 0.000 0.288 517 I C -0.491 175.573 176.117 -0.088 0.000 0.999 517 I CA -0.797 60.363 61.300 -0.233 0.000 1.129 517 I CB 1.488 39.246 38.000 -0.402 0.000 1.288 517 I HN 0.473 nan 8.210 nan 0.000 0.444 518 D N 4.372 124.741 120.400 -0.052 0.000 2.299 518 D HA 0.812 5.470 4.640 0.031 0.000 0.243 518 D C 0.224 176.398 176.300 -0.210 0.000 0.982 518 D CA -0.069 53.913 54.000 -0.030 0.000 0.924 518 D CB 2.578 43.331 40.800 -0.079 0.000 1.238 518 D HN 0.776 nan 8.370 nan 0.000 0.484 519 G N 0.109 108.636 108.800 -0.455 0.000 2.455 519 G HA2 0.246 4.224 3.960 0.031 0.000 0.223 519 G HA3 0.246 4.224 3.960 0.031 0.000 0.223 519 G C -1.340 173.172 174.900 -0.647 0.000 1.226 519 G CA -0.635 44.072 45.100 -0.655 0.000 0.948 519 G HN 0.299 nan 8.290 nan 0.000 0.478 520 R N -0.882 119.277 120.500 -0.568 0.000 2.836 520 R HA 0.661 5.020 4.340 0.031 0.000 0.269 520 R C 0.672 176.657 176.300 -0.525 0.000 1.010 520 R CA 0.017 55.860 56.100 -0.429 0.000 0.930 520 R CB 1.127 31.407 30.300 -0.034 0.000 1.218 520 R HN 2.253 nan 8.270 nan 0.000 0.473 521 G N 0.627 109.253 108.800 -0.290 0.000 2.148 521 G HA2 -0.291 3.688 3.960 0.031 0.000 0.254 521 G HA3 -0.291 3.688 3.960 0.031 0.000 0.254 521 G C 0.679 175.608 174.900 0.048 0.000 0.981 521 G CA 0.551 45.583 45.100 -0.112 0.000 0.670 521 G HN 0.575 nan 8.290 nan 0.000 0.528 522 F N 0.963 120.931 119.950 0.030 0.000 2.325 522 F HA 0.290 4.836 4.527 0.031 0.000 0.299 522 F C 2.074 178.101 175.800 0.379 0.000 1.090 522 F CA 0.805 58.865 58.000 0.101 0.000 1.392 522 F CB 0.095 38.959 39.000 -0.227 0.000 1.053 522 F HN 0.835 nan 8.300 nan 0.000 0.521 523 G N 0.215 109.264 108.800 0.414 0.000 2.795 523 G HA2 -0.231 3.747 3.960 0.031 0.000 0.664 523 G HA3 -0.231 3.747 3.960 0.031 0.000 0.664 523 G C 0.382 175.520 174.900 0.396 0.000 1.381 523 G CA -0.302 44.993 45.100 0.325 0.000 0.853 523 G HN 0.111 nan 8.290 nan 0.000 0.545 524 S N -0.084 115.747 115.700 0.218 0.000 2.501 524 S HA 0.381 4.870 4.470 0.031 0.000 0.220 524 S C 1.279 175.930 174.600 0.086 0.000 0.997 524 S CA 1.043 59.355 58.200 0.185 0.000 0.919 524 S CB 0.468 63.724 63.200 0.093 0.000 0.778 524 S HN 1.559 nan 8.310 nan 0.000 0.523 525 G N 1.465 110.222 108.800 -0.070 0.000 2.388 525 G HA2 0.478 4.457 3.960 0.031 0.000 0.330 525 G HA3 0.478 4.457 3.960 0.031 0.000 0.330 525 G C -0.581 173.869 174.900 -0.750 0.000 1.142 525 G CA -0.775 44.167 45.100 -0.263 0.000 0.908 525 G HN 0.131 nan 8.290 nan 0.000 0.473 526 K N 0.185 120.083 120.400 -0.836 0.000 2.494 526 K HA 0.309 4.648 4.320 0.031 0.000 0.273 526 K C 0.806 176.602 176.600 -1.340 0.000 0.970 526 K CA 0.769 56.239 56.287 -1.363 0.000 0.963 526 K CB 0.716 32.859 32.500 -0.595 0.000 0.913 526 K HN 0.583 nan 8.250 nan 0.000 0.502 527 G N 0.405 108.137 108.800 -1.781 0.000 3.253 527 G HA2 0.414 4.392 3.960 0.031 0.000 0.175 527 G HA3 0.414 4.392 3.960 0.031 0.000 0.175 527 G C -1.162 173.535 174.900 -0.338 0.000 1.098 527 G CA -0.340 44.287 45.100 -0.787 0.000 0.790 527 G HN 0.486 nan 8.290 nan 0.000 0.648 528 T N -0.212 114.354 114.554 0.020 0.000 2.893 528 T HA 0.611 4.979 4.350 0.031 0.000 0.293 528 T C -1.102 173.633 174.700 0.059 0.000 1.027 528 T CA -0.308 61.786 62.100 -0.010 0.000 0.988 528 T CB 2.145 70.949 68.868 -0.107 0.000 1.043 528 T HN 0.404 nan 8.240 nan 0.000 0.461 529 V N 2.596 122.458 119.914 -0.088 0.000 2.495 529 V HA 0.496 4.635 4.120 0.031 0.000 0.298 529 V C -1.353 174.601 176.094 -0.234 0.000 1.031 529 V CA -0.908 61.347 62.300 -0.075 0.000 0.871 529 V CB 1.239 33.048 31.823 -0.024 0.000 0.988 529 V HN 0.838 nan 8.190 nan 0.000 0.432 530 Y N 3.448 123.740 120.300 -0.014 0.000 2.352 530 Y HA 0.596 5.165 4.550 0.031 0.000 0.339 530 Y C -0.418 175.448 175.900 -0.057 0.000 0.992 530 Y CA -0.566 57.557 58.100 0.038 0.000 1.100 530 Y CB 1.699 40.172 38.460 0.022 0.000 1.192 530 Y HN 0.523 nan 8.280 nan 0.000 0.458 531 F N 2.723 122.720 119.950 0.077 0.000 2.311 531 F HA 0.506 5.051 4.527 0.031 0.000 0.371 531 F C 0.929 176.887 175.800 0.263 0.000 1.083 531 F CA -0.337 57.698 58.000 0.058 0.000 1.113 531 F CB 0.727 39.618 39.000 -0.182 0.000 1.349 531 F HN 0.805 nan 8.300 nan 0.000 0.470 532 G N 2.361 111.396 108.800 0.392 0.000 2.565 532 G HA2 -0.389 3.590 3.960 0.031 0.000 0.295 532 G HA3 -0.389 3.590 3.960 0.031 0.000 0.295 532 G C 1.088 176.165 174.900 0.295 0.000 1.165 532 G CA 0.503 45.804 45.100 0.335 0.000 0.977 532 G HN 0.713 nan 8.290 nan 0.000 0.546 533 T N -1.515 113.202 114.554 0.271 0.000 3.107 533 T HA 0.418 4.787 4.350 0.031 0.000 0.249 533 T C 0.920 175.814 174.700 0.324 0.000 1.096 533 T CA 1.376 63.633 62.100 0.262 0.000 1.012 533 T CB 0.073 69.036 68.868 0.158 0.000 0.977 533 T HN 0.757 nan 8.240 nan 0.000 0.527 534 T N 3.279 118.008 114.554 0.292 0.000 2.729 534 T HA 0.636 5.004 4.350 0.031 0.000 0.296 534 T C 0.322 175.069 174.700 0.078 0.000 0.928 534 T CA -0.572 61.630 62.100 0.170 0.000 1.045 534 T CB 0.849 69.784 68.868 0.113 0.000 0.902 534 T HN 0.499 nan 8.240 nan 0.000 0.500 535 A N 3.603 126.380 122.820 -0.072 0.000 2.316 535 A HA 0.670 5.008 4.320 0.031 0.000 0.284 535 A C -0.187 177.264 177.584 -0.222 0.000 1.115 535 A CA -0.559 51.233 52.037 -0.408 0.000 0.812 535 A CB 0.535 19.315 19.000 -0.367 0.000 1.064 535 A HN 0.677 nan 8.150 nan 0.000 0.489 536 V N 2.144 121.916 119.914 -0.236 0.000 2.588 536 V HA 0.736 4.875 4.120 0.031 0.000 0.304 536 V C 0.056 176.079 176.094 -0.118 0.000 1.042 536 V CA -0.021 62.201 62.300 -0.130 0.000 0.877 536 V CB 1.725 33.510 31.823 -0.064 0.000 0.996 536 V HN 1.226 nan 8.190 nan 0.000 0.425 537 T N 0.446 114.943 114.554 -0.095 0.000 2.816 537 T HA 0.836 5.204 4.350 0.031 0.000 0.299 537 T C 0.449 175.107 174.700 -0.070 0.000 1.230 537 T CA 0.070 62.119 62.100 -0.085 0.000 1.007 537 T CB 1.514 70.319 68.868 -0.104 0.000 1.289 537 T HN 1.677 nan 8.240 nan 0.000 0.508 538 G N 1.218 109.973 108.800 -0.075 0.000 2.596 538 G HA2 -0.086 3.893 3.960 0.031 0.000 0.304 538 G HA3 -0.086 3.893 3.960 0.031 0.000 0.304 538 G C 1.357 176.229 174.900 -0.046 0.000 1.189 538 G CA 1.308 46.369 45.100 -0.066 0.000 0.986 538 G HN 1.882 nan 8.290 nan 0.000 0.548 539 A N -0.629 122.165 122.820 -0.044 0.000 2.024 539 A HA 0.042 4.381 4.320 0.031 0.000 0.220 539 A C 1.899 179.461 177.584 -0.036 0.000 1.164 539 A CA 2.484 54.498 52.037 -0.037 0.000 0.643 539 A CB -0.464 18.512 19.000 -0.039 0.000 0.806 539 A HN 0.633 nan 8.150 nan 0.000 0.451 540 D N -0.496 119.878 120.400 -0.044 0.000 2.363 540 D HA 0.058 4.717 4.640 0.031 0.000 0.220 540 D C 0.301 176.583 176.300 -0.030 0.000 0.994 540 D CA 0.529 54.499 54.000 -0.050 0.000 0.890 540 D CB 0.002 40.758 40.800 -0.074 0.000 0.906 540 D HN 0.441 nan 8.370 nan 0.000 0.530 541 I N 1.485 122.054 120.570 -0.002 0.000 2.307 541 I HA 0.009 4.197 4.170 0.031 0.000 0.287 541 I C 1.408 177.546 176.117 0.034 0.000 1.054 541 I CA -0.434 60.892 61.300 0.043 0.000 1.218 541 I CB 1.940 40.015 38.000 0.125 0.000 1.398 541 I HN -0.296 nan 8.210 nan 0.000 0.475 542 V N 5.832 125.753 119.914 0.011 0.000 2.490 542 V HA -0.082 4.057 4.120 0.031 0.000 0.250 542 V C 0.987 177.094 176.094 0.021 0.000 1.061 542 V CA 1.471 63.772 62.300 0.002 0.000 1.064 542 V CB -0.555 31.257 31.823 -0.018 0.000 0.670 542 V HN 0.856 nan 8.190 nan 0.000 0.461 543 A N -1.901 120.947 122.820 0.046 0.000 2.605 543 A HA 0.633 4.971 4.320 0.031 0.000 0.294 543 A C -2.150 175.513 177.584 0.132 0.000 1.062 543 A CA -0.406 51.670 52.037 0.066 0.000 0.682 543 A CB 1.566 20.576 19.000 0.016 0.000 1.278 543 A HN 0.201 nan 8.150 nan 0.000 0.410 544 W N 2.419 123.697 121.300 -0.037 0.000 3.615 544 W HA 0.521 5.201 4.660 0.032 0.000 0.319 544 W C -1.360 175.166 176.519 0.010 0.000 1.172 544 W CA -0.231 57.095 57.345 -0.033 0.000 1.240 544 W CB 1.571 31.000 29.460 -0.052 0.000 1.313 544 W HN 1.090 nan 8.180 nan 0.000 0.487 545 E N 1.389 121.678 120.200 0.150 0.000 2.456 545 E HA 0.205 4.574 4.350 0.031 0.000 0.278 545 E C -0.367 176.344 176.600 0.185 0.000 1.034 545 E CA -0.639 55.900 56.400 0.231 0.000 0.846 545 E CB 1.566 31.339 29.700 0.122 0.000 1.460 545 E HN 0.135 nan 8.360 nan 0.000 0.463 546 D N -0.019 120.486 120.400 0.174 0.000 2.182 546 D HA -0.151 4.507 4.640 0.031 0.000 0.201 546 D C 1.579 177.855 176.300 -0.040 0.000 0.986 546 D CA 2.518 56.590 54.000 0.120 0.000 0.847 546 D CB 0.167 41.000 40.800 0.056 0.000 0.942 546 D HN 0.550 nan 8.370 nan 0.000 0.467 547 T N -3.585 110.955 114.554 -0.024 0.000 3.054 547 T HA 0.147 4.515 4.350 0.031 0.000 0.255 547 T C 0.507 175.232 174.700 0.042 0.000 1.035 547 T CA -0.522 61.496 62.100 -0.136 0.000 0.941 547 T CB 0.427 69.245 68.868 -0.084 0.000 1.026 547 T HN 0.119 nan 8.240 nan 0.000 0.533 548 Q N 0.130 120.038 119.800 0.181 0.000 2.320 548 Q HA 0.634 4.993 4.340 0.031 0.000 0.272 548 Q C -2.158 173.746 176.000 -0.161 0.000 1.023 548 Q CA -0.843 55.008 55.803 0.079 0.000 0.855 548 Q CB 2.028 30.761 28.738 -0.008 0.000 1.367 548 Q HN 0.432 nan 8.270 nan 0.000 0.406 549 I N 2.555 122.895 120.570 -0.382 0.000 2.545 549 I HA 0.382 4.571 4.170 0.031 0.000 0.292 549 I C -0.809 175.136 176.117 -0.287 0.000 1.040 549 I CA -0.660 60.314 61.300 -0.544 0.000 1.068 549 I CB 2.333 39.694 38.000 -1.064 0.000 1.251 549 I HN 0.554 nan 8.210 nan 0.000 0.424 550 Q N 4.695 124.400 119.800 -0.158 0.000 2.353 550 Q HA 0.761 5.120 4.340 0.031 0.000 0.268 550 Q C -1.367 174.596 176.000 -0.062 0.000 1.045 550 Q CA -0.703 55.041 55.803 -0.097 0.000 0.811 550 Q CB 3.534 32.236 28.738 -0.060 0.000 1.305 550 Q HN 0.469 nan 8.270 nan 0.000 0.447 551 V N 1.694 121.580 119.914 -0.047 0.000 3.087 551 V HA 0.437 4.576 4.120 0.031 0.000 0.306 551 V C -1.664 174.414 176.094 -0.028 0.000 1.187 551 V CA -0.773 61.514 62.300 -0.022 0.000 0.999 551 V CB 2.427 34.251 31.823 0.002 0.000 1.049 551 V HN 0.667 nan 8.190 nan 0.000 0.431 552 K N 4.932 125.293 120.400 -0.065 0.000 2.174 552 K HA 0.543 4.881 4.320 0.031 0.000 0.275 552 K C -0.541 175.913 176.600 -0.244 0.000 1.015 552 K CA -0.435 55.786 56.287 -0.111 0.000 0.933 552 K CB 1.566 34.001 32.500 -0.109 0.000 1.025 552 K HN 0.592 nan 8.250 nan 0.000 0.463 553 I N 5.319 125.709 120.570 -0.302 0.000 2.533 553 I HA 0.031 4.219 4.170 0.031 0.000 0.284 553 I C -1.563 174.222 176.117 -0.553 0.000 1.109 553 I CA -1.727 59.184 61.300 -0.647 0.000 1.412 553 I CB 0.342 38.140 38.000 -0.335 0.000 1.396 553 I HN 0.377 nan 8.210 nan 0.000 0.543 554 P HA 0.015 nan 4.420 nan 0.000 0.271 554 P C -0.634 176.473 177.300 -0.323 0.000 1.233 554 P CA -0.488 62.354 63.100 -0.431 0.000 0.789 554 P CB 0.699 32.149 31.700 -0.417 0.000 0.951 555 A N 1.777 124.479 122.820 -0.198 0.000 3.091 555 A HA 0.381 4.719 4.320 0.031 0.000 0.264 555 A C 0.671 178.197 177.584 -0.096 0.000 1.673 555 A CA -0.466 51.494 52.037 -0.129 0.000 1.362 555 A CB -1.420 17.529 19.000 -0.084 0.000 1.137 555 A HN 0.385 nan 8.150 nan 0.000 0.617 556 V N -1.479 118.354 119.914 -0.134 0.000 2.973 556 V HA 0.621 4.760 4.120 0.031 0.000 0.314 556 V C -2.460 173.648 176.094 0.023 0.000 1.066 556 V CA -2.515 59.749 62.300 -0.061 0.000 1.021 556 V CB 0.369 32.082 31.823 -0.184 0.000 1.076 556 V HN 0.435 nan 8.190 nan 0.000 0.462 557 P HA 0.260 nan 4.420 nan 0.000 0.268 557 P C 0.339 177.775 177.300 0.226 0.000 1.208 557 P CA 0.427 63.618 63.100 0.150 0.000 0.777 557 P CB 0.133 31.927 31.700 0.157 0.000 0.875 558 G N 0.537 109.437 108.800 0.166 0.000 2.432 558 G HA2 0.474 4.453 3.960 0.031 0.000 0.239 558 G HA3 0.474 4.453 3.960 0.031 0.000 0.239 558 G C 0.155 175.203 174.900 0.247 0.000 1.291 558 G CA 0.428 45.642 45.100 0.191 0.000 0.863 558 G HN 0.790 nan 8.290 nan 0.000 0.560 559 G N 0.242 109.232 108.800 0.317 0.000 2.333 559 G HA2 0.334 4.312 3.960 0.031 0.000 0.288 559 G HA3 0.334 4.312 3.960 0.031 0.000 0.288 559 G C -1.385 173.638 174.900 0.205 0.000 1.286 559 G CA -0.949 44.254 45.100 0.171 0.000 0.865 559 G HN 0.596 nan 8.290 nan 0.000 0.506 560 I N 0.646 121.201 120.570 -0.024 0.000 2.359 560 I HA 0.560 4.749 4.170 0.031 0.000 0.294 560 I C -0.839 175.160 176.117 -0.196 0.000 0.987 560 I CA -0.734 60.588 61.300 0.038 0.000 1.225 560 I CB 0.820 38.827 38.000 0.013 0.000 1.366 560 I HN 0.449 nan 8.210 nan 0.000 0.466 561 Y N 3.121 123.547 120.300 0.211 0.000 2.499 561 Y HA 0.380 4.948 4.550 0.031 0.000 0.347 561 Y C 0.113 176.102 175.900 0.149 0.000 0.987 561 Y CA -0.915 57.306 58.100 0.201 0.000 1.044 561 Y CB 1.668 40.311 38.460 0.304 0.000 1.245 561 Y HN 0.453 nan 8.280 nan 0.000 0.461 562 D N 2.845 123.363 120.400 0.196 0.000 2.193 562 D HA 0.481 5.139 4.640 0.031 0.000 0.249 562 D C -0.500 175.825 176.300 0.042 0.000 1.034 562 D CA -0.002 54.065 54.000 0.112 0.000 0.902 562 D CB 2.023 42.862 40.800 0.066 0.000 1.182 562 D HN 0.383 nan 8.370 nan 0.000 0.436 563 I N 1.033 121.586 120.570 -0.028 0.000 2.603 563 I HA 0.470 4.659 4.170 0.031 0.000 0.300 563 I C 0.048 176.133 176.117 -0.053 0.000 1.017 563 I CA -0.745 60.433 61.300 -0.203 0.000 1.098 563 I CB 2.260 40.010 38.000 -0.418 0.000 1.279 563 I HN 0.064 nan 8.210 nan 0.000 0.437 564 R N 3.388 123.865 120.500 -0.039 0.000 2.643 564 R HA 0.698 5.057 4.340 0.031 0.000 0.269 564 R C -2.162 174.192 176.300 0.090 0.000 1.037 564 R CA -0.521 55.604 56.100 0.042 0.000 0.894 564 R CB 2.340 32.666 30.300 0.043 0.000 1.238 564 R HN 0.389 nan 8.270 nan 0.000 0.459 565 V N 1.934 121.893 119.914 0.076 0.000 2.715 565 V HA 0.848 4.987 4.120 0.031 0.000 0.310 565 V C -0.629 175.583 176.094 0.196 0.000 1.054 565 V CA -0.556 61.795 62.300 0.085 0.000 0.928 565 V CB 1.773 33.531 31.823 -0.109 0.000 1.007 565 V HN 0.898 nan 8.190 nan 0.000 0.437 566 A N 3.439 126.425 122.820 0.277 0.000 2.343 566 A HA 0.759 5.097 4.320 0.031 0.000 0.308 566 A C -0.285 177.469 177.584 0.284 0.000 1.092 566 A CA -0.789 51.397 52.037 0.248 0.000 0.751 566 A CB 0.952 20.116 19.000 0.274 0.000 1.203 566 A HN 0.920 nan 8.150 nan 0.000 0.452 567 N N 1.768 120.623 118.700 0.259 0.000 2.327 567 N HA 0.386 5.145 4.740 0.031 0.000 0.257 567 N C 1.173 176.715 175.510 0.054 0.000 1.281 567 N CA 0.082 53.302 53.050 0.283 0.000 0.942 567 N CB 0.356 39.013 38.487 0.283 0.000 1.199 567 N HN 0.605 nan 8.380 nan 0.000 0.532 568 A N -0.381 122.390 122.820 -0.083 0.000 1.986 568 A HA -0.091 4.248 4.320 0.031 0.000 0.220 568 A C 2.106 179.657 177.584 -0.056 0.000 1.171 568 A CA 2.351 54.301 52.037 -0.145 0.000 0.640 568 A CB -1.470 17.418 19.000 -0.187 0.000 0.811 568 A HN 0.897 nan 8.150 nan 0.000 0.451 569 A N -2.302 120.513 122.820 -0.007 0.000 2.066 569 A HA 0.365 4.703 4.320 0.031 0.000 0.218 569 A C 1.977 179.572 177.584 0.019 0.000 1.157 569 A CA 1.490 53.531 52.037 0.007 0.000 0.670 569 A CB -0.713 18.300 19.000 0.022 0.000 0.804 569 A HN 1.921 nan 8.150 nan 0.000 0.453 570 G N -2.558 106.264 108.800 0.038 0.000 2.179 570 G HA2 0.159 4.137 3.960 0.031 0.000 0.220 570 G HA3 0.159 4.137 3.960 0.031 0.000 0.220 570 G C 0.346 175.282 174.900 0.060 0.000 0.990 570 G CA 0.125 45.255 45.100 0.051 0.000 0.646 570 G HN 1.528 nan 8.290 nan 0.000 0.517 571 A N 0.316 123.175 122.820 0.066 0.000 2.454 571 A HA 0.829 5.168 4.320 0.031 0.000 0.260 571 A C 0.854 178.488 177.584 0.084 0.000 1.106 571 A CA 1.121 53.195 52.037 0.062 0.000 0.780 571 A CB 0.472 19.508 19.000 0.060 0.000 1.044 571 A HN 2.024 nan 8.150 nan 0.000 0.498 572 A N 2.619 125.474 122.820 0.059 0.000 2.279 572 A HA 0.720 5.059 4.320 0.031 0.000 0.303 572 A C 0.825 178.445 177.584 0.060 0.000 1.108 572 A CA 0.126 52.202 52.037 0.064 0.000 0.830 572 A CB 0.338 19.346 19.000 0.014 0.000 1.106 572 A HN 1.697 nan 8.150 nan 0.000 0.493 573 S N 1.082 116.826 115.700 0.074 0.000 2.694 573 S HA 0.390 4.879 4.470 0.031 0.000 0.278 573 S C 0.187 174.811 174.600 0.040 0.000 1.152 573 S CA -0.659 57.581 58.200 0.067 0.000 1.010 573 S CB 0.247 63.514 63.200 0.112 0.000 1.104 573 S HN 0.917 nan 8.310 nan 0.000 0.547 574 N N 0.108 118.832 118.700 0.039 0.000 2.416 574 N HA 0.082 4.841 4.740 0.031 0.000 0.246 574 N C -0.367 175.184 175.510 0.069 0.000 1.260 574 N CA -0.219 52.857 53.050 0.043 0.000 0.897 574 N CB -0.108 38.410 38.487 0.052 0.000 1.110 574 N HN 0.694 nan 8.380 nan 0.000 0.439 575 I N 0.598 121.200 120.570 0.053 0.000 2.575 575 I HA 0.014 4.203 4.170 0.031 0.000 0.285 575 I C -0.423 175.762 176.117 0.113 0.000 1.085 575 I CA -0.415 60.924 61.300 0.064 0.000 1.403 575 I CB 0.305 38.320 38.000 0.026 0.000 1.409 575 I HN 0.483 nan 8.210 nan 0.000 0.557 576 Y N 6.309 126.610 120.300 0.002 0.000 2.402 576 Y HA 0.191 4.760 4.550 0.031 0.000 0.332 576 Y C 0.014 175.936 175.900 0.037 0.000 0.960 576 Y CA -0.943 57.171 58.100 0.024 0.000 1.228 576 Y CB 0.418 38.886 38.460 0.012 0.000 1.120 576 Y HN 0.597 nan 8.280 nan 0.000 0.491 577 D N 2.412 122.812 120.400 0.000 0.000 2.466 577 D HA 0.137 4.796 4.640 0.031 0.000 0.262 577 D C -0.123 176.241 176.300 0.106 0.000 1.177 577 D CA -0.426 53.609 54.000 0.059 0.000 1.035 577 D CB 0.619 41.421 40.800 0.004 0.000 1.105 577 D HN 0.660 nan 8.370 nan 0.000 0.551 578 N N -1.702 117.073 118.700 0.125 0.000 2.780 578 N HA -0.206 4.553 4.740 0.031 0.000 0.248 578 N C -1.189 174.440 175.510 0.198 0.000 1.102 578 N CA 0.046 53.171 53.050 0.125 0.000 0.697 578 N CB -1.206 37.317 38.487 0.059 0.000 1.028 578 N HN 0.424 nan 8.380 nan 0.000 0.554 579 F N 1.897 121.939 119.950 0.153 0.000 2.404 579 F HA 0.336 4.881 4.527 0.031 0.000 0.345 579 F C 0.529 176.465 175.800 0.228 0.000 1.110 579 F CA -0.359 57.752 58.000 0.185 0.000 1.130 579 F CB 0.907 40.018 39.000 0.184 0.000 1.129 579 F HN -0.016 nan 8.300 nan 0.000 0.500 580 E N 5.266 125.321 120.200 -0.242 0.000 2.151 580 E HA 0.427 4.795 4.350 0.031 0.000 0.275 580 E C -1.598 175.005 176.600 0.006 0.000 0.936 580 E CA -0.777 55.626 56.400 0.004 0.000 0.777 580 E CB 1.601 31.266 29.700 -0.059 0.000 1.108 580 E HN 0.500 nan 8.360 nan 0.000 0.401 581 V N 5.644 125.726 119.914 0.279 0.000 2.383 581 V HA 0.167 4.306 4.120 0.031 0.000 0.275 581 V C 0.047 176.215 176.094 0.125 0.000 1.036 581 V CA -0.706 61.716 62.300 0.202 0.000 0.889 581 V CB 0.970 32.881 31.823 0.146 0.000 0.985 581 V HN 0.660 nan 8.190 nan 0.000 0.459 582 L N 4.333 125.589 121.223 0.054 0.000 2.418 582 L HA 0.302 4.661 4.340 0.031 0.000 0.265 582 L C 1.715 178.611 176.870 0.044 0.000 1.143 582 L CA 0.620 55.483 54.840 0.038 0.000 0.809 582 L CB 0.967 43.029 42.059 0.006 0.000 1.124 582 L HN 0.705 nan 8.230 nan 0.000 0.456 583 T N 0.706 115.286 114.554 0.043 0.000 3.051 583 T HA 0.259 4.628 4.350 0.031 0.000 0.269 583 T C 0.723 175.439 174.700 0.025 0.000 1.127 583 T CA 0.983 63.106 62.100 0.039 0.000 1.107 583 T CB -0.137 68.754 68.868 0.040 0.000 0.898 583 T HN 0.858 nan 8.240 nan 0.000 0.517 584 G N -0.034 108.777 108.800 0.019 0.000 2.344 584 G HA2 0.199 4.177 3.960 0.031 0.000 0.282 584 G HA3 0.199 4.177 3.960 0.031 0.000 0.282 584 G C -2.140 172.765 174.900 0.008 0.000 1.281 584 G CA -0.918 44.189 45.100 0.012 0.000 0.877 584 G HN 0.064 nan 8.290 nan 0.000 0.494 585 D N 0.732 121.136 120.400 0.007 0.000 2.357 585 D HA 0.358 5.016 4.640 0.031 0.000 0.242 585 D C -0.121 176.186 176.300 0.011 0.000 1.153 585 D CA 0.371 54.372 54.000 0.002 0.000 0.918 585 D CB 0.925 41.728 40.800 0.004 0.000 1.181 585 D HN 0.206 nan 8.370 nan 0.000 0.435 586 Q N 0.359 120.160 119.800 0.001 0.000 2.266 586 Q HA 0.551 4.910 4.340 0.031 0.000 0.261 586 Q C -0.299 175.720 176.000 0.032 0.000 0.985 586 Q CA -0.947 54.866 55.803 0.016 0.000 0.873 586 Q CB 2.307 31.038 28.738 -0.012 0.000 1.306 586 Q HN 0.341 nan 8.270 nan 0.000 0.447 587 V N -1.971 117.987 119.914 0.072 0.000 2.925 587 V HA 0.701 4.840 4.120 0.031 0.000 0.311 587 V C -0.380 175.804 176.094 0.150 0.000 1.104 587 V CA -0.854 61.511 62.300 0.109 0.000 0.954 587 V CB 1.982 33.879 31.823 0.123 0.000 1.022 587 V HN 0.663 nan 8.190 nan 0.000 0.427 588 T N 2.833 117.506 114.554 0.199 0.000 2.767 588 T HA 0.691 5.059 4.350 0.031 0.000 0.288 588 T C -0.276 174.566 174.700 0.236 0.000 0.963 588 T CA -0.304 61.946 62.100 0.251 0.000 1.019 588 T CB 1.383 70.463 68.868 0.354 0.000 0.923 588 T HN 0.717 nan 8.240 nan 0.000 0.468 589 V N 3.455 123.500 119.914 0.219 0.000 2.628 589 V HA 0.549 4.687 4.120 0.031 0.000 0.306 589 V C 0.124 176.260 176.094 0.070 0.000 1.045 589 V CA -1.131 61.213 62.300 0.073 0.000 0.905 589 V CB 2.053 33.838 31.823 -0.062 0.000 0.997 589 V HN 0.752 nan 8.190 nan 0.000 0.436 590 R N 2.850 123.329 120.500 -0.034 0.000 2.294 590 R HA 0.530 4.889 4.340 0.031 0.000 0.319 590 R C -1.634 174.557 176.300 -0.182 0.000 0.984 590 R CA -0.329 55.820 56.100 0.082 0.000 0.861 590 R CB 0.706 31.104 30.300 0.164 0.000 1.104 590 R HN 0.523 nan 8.270 nan 0.000 0.451 591 F N 3.805 123.827 119.950 0.121 0.000 2.420 591 F HA 0.418 4.963 4.527 0.031 0.000 0.342 591 F C -0.235 175.647 175.800 0.136 0.000 1.113 591 F CA -0.575 57.492 58.000 0.113 0.000 1.059 591 F CB 2.019 41.131 39.000 0.187 0.000 1.128 591 F HN 0.114 nan 8.300 nan 0.000 0.475 592 V N 5.354 125.342 119.914 0.123 0.000 2.638 592 V HA 0.500 4.639 4.120 0.031 0.000 0.306 592 V C -0.741 175.271 176.094 -0.136 0.000 1.052 592 V CA -0.888 61.351 62.300 -0.103 0.000 0.885 592 V CB 2.259 33.827 31.823 -0.425 0.000 0.999 592 V HN 0.677 nan 8.190 nan 0.000 0.424 593 I N 4.109 124.552 120.570 -0.212 0.000 2.534 593 I HA 0.532 4.720 4.170 0.031 0.000 0.288 593 I C -0.939 175.128 176.117 -0.083 0.000 1.077 593 I CA -0.413 60.708 61.300 -0.299 0.000 1.051 593 I CB 1.919 39.409 38.000 -0.850 0.000 1.234 593 I HN 0.607 nan 8.210 nan 0.000 0.425 594 N N 5.363 124.041 118.700 -0.036 0.000 2.495 594 N HA 0.319 5.077 4.740 0.031 0.000 0.280 594 N C -0.017 175.527 175.510 0.056 0.000 1.168 594 N CA -0.276 52.784 53.050 0.017 0.000 0.978 594 N CB 0.942 39.438 38.487 0.015 0.000 1.191 594 N HN 0.604 nan 8.380 nan 0.000 0.497 595 N N -0.880 117.828 118.700 0.014 0.000 2.714 595 N HA -0.189 4.570 4.740 0.031 0.000 0.250 595 N C -0.901 174.567 175.510 -0.069 0.000 1.117 595 N CA 0.766 53.807 53.050 -0.014 0.000 0.719 595 N CB -1.282 37.235 38.487 0.050 0.000 1.081 595 N HN 0.669 nan 8.380 nan 0.000 0.557 596 A N -0.009 122.762 122.820 -0.083 0.000 3.015 596 A HA 0.428 4.766 4.320 0.031 0.000 0.293 596 A C 0.654 178.144 177.584 -0.158 0.000 1.572 596 A CA -0.170 51.704 52.037 -0.272 0.000 1.274 596 A CB -0.003 18.832 19.000 -0.274 0.000 1.156 596 A HN 0.164 nan 8.150 nan 0.000 0.562 597 T N 2.156 116.572 114.554 -0.229 0.000 2.926 597 T HA 0.465 4.833 4.350 0.031 0.000 0.307 597 T C 0.727 175.465 174.700 0.064 0.000 1.059 597 T CA 0.780 62.857 62.100 -0.040 0.000 1.122 597 T CB 0.650 69.483 68.868 -0.058 0.000 0.972 597 T HN 0.819 nan 8.240 nan 0.000 0.545 598 T N -1.261 113.468 114.554 0.292 0.000 2.816 598 T HA 0.782 5.150 4.350 0.031 0.000 0.299 598 T C -0.320 174.450 174.700 0.117 0.000 1.230 598 T CA -0.990 61.203 62.100 0.155 0.000 1.007 598 T CB 1.555 70.576 68.868 0.256 0.000 1.289 598 T HN 0.705 nan 8.240 nan 0.000 0.508 599 A N 1.207 124.061 122.820 0.057 0.000 2.274 599 A HA 0.792 5.130 4.320 0.031 0.000 0.297 599 A C 0.576 178.178 177.584 0.030 0.000 1.191 599 A CA -1.143 50.915 52.037 0.036 0.000 0.889 599 A CB -0.274 18.739 19.000 0.022 0.000 1.294 599 A HN 1.473 nan 8.150 nan 0.000 0.506 600 L N -1.452 119.780 121.223 0.016 0.000 2.780 600 L HA 0.404 4.762 4.340 0.031 0.000 0.275 600 L C 0.886 177.771 176.870 0.025 0.000 1.153 600 L CA 0.446 55.292 54.840 0.010 0.000 0.993 600 L CB -1.484 40.580 42.059 0.008 0.000 1.319 600 L HN 1.562 nan 8.230 nan 0.000 0.479 601 G N 1.876 110.696 108.800 0.033 0.000 2.273 601 G HA2 -0.328 3.651 3.960 0.031 0.000 0.280 601 G HA3 -0.328 3.651 3.960 0.031 0.000 0.280 601 G C 0.067 175.013 174.900 0.077 0.000 1.047 601 G CA 0.610 45.744 45.100 0.057 0.000 0.869 601 G HN 0.963 nan 8.290 nan 0.000 0.502 602 Q N -0.149 119.702 119.800 0.086 0.000 2.307 602 Q HA 0.475 4.834 4.340 0.031 0.000 0.262 602 Q C -0.208 175.853 176.000 0.102 0.000 0.961 602 Q CA -0.830 55.018 55.803 0.076 0.000 0.882 602 Q CB 0.656 29.418 28.738 0.040 0.000 1.264 602 Q HN 0.416 nan 8.270 nan 0.000 0.446 603 N N 1.697 120.449 118.700 0.087 0.000 2.457 603 N HA 0.460 5.218 4.740 0.031 0.000 0.290 603 N C -1.286 173.996 175.510 -0.381 0.000 1.232 603 N CA -0.486 52.511 53.050 -0.087 0.000 0.852 603 N CB 2.060 40.499 38.487 -0.080 0.000 1.313 603 N HN 0.279 nan 8.380 nan 0.000 0.522 604 V N 1.754 121.046 119.914 -1.037 0.000 2.483 604 V HA 0.541 4.680 4.120 0.031 0.000 0.295 604 V C -0.853 174.837 176.094 -0.672 0.000 1.035 604 V CA -0.305 61.494 62.300 -0.836 0.000 0.896 604 V CB 0.531 31.434 31.823 -1.535 0.000 0.986 604 V HN 0.469 nan 8.190 nan 0.000 0.447 605 F N 3.925 123.742 119.950 -0.223 0.000 2.640 605 F HA 0.752 5.297 4.527 0.031 0.000 0.324 605 F C -0.376 175.377 175.800 -0.078 0.000 1.077 605 F CA -0.919 56.966 58.000 -0.191 0.000 0.965 605 F CB 1.883 40.747 39.000 -0.228 0.000 1.351 605 F HN 0.328 nan 8.300 nan 0.000 0.487 606 L N 0.611 121.839 121.223 0.008 0.000 2.354 606 L HA 0.883 5.242 4.340 0.031 0.000 0.269 606 L C -0.589 176.142 176.870 -0.232 0.000 1.005 606 L CA 0.134 54.830 54.840 -0.240 0.000 0.819 606 L CB 2.123 43.918 42.059 -0.440 0.000 1.311 606 L HN 0.660 nan 8.230 nan 0.000 0.423 607 T N 2.092 116.499 114.554 -0.245 0.000 2.821 607 T HA 0.883 5.252 4.350 0.031 0.000 0.306 607 T C -0.798 173.691 174.700 -0.352 0.000 1.313 607 T CA 0.037 62.018 62.100 -0.198 0.000 1.012 607 T CB 1.417 70.293 68.868 0.013 0.000 1.298 607 T HN 1.141 nan 8.240 nan 0.000 0.502 608 G N 0.654 109.072 108.800 -0.636 0.000 2.554 608 G HA2 0.316 4.295 3.960 0.031 0.000 0.306 608 G HA3 0.316 4.295 3.960 0.031 0.000 0.306 608 G C -0.038 174.052 174.900 -1.350 0.000 1.320 608 G CA -0.097 44.309 45.100 -1.156 0.000 0.800 608 G HN 0.874 nan 8.290 nan 0.000 0.481 609 N N -1.456 116.614 118.700 -1.050 0.000 2.398 609 N HA 0.131 4.889 4.740 0.031 0.000 0.188 609 N C 0.657 176.046 175.510 -0.203 0.000 1.122 609 N CA 0.208 52.918 53.050 -0.568 0.000 0.866 609 N CB 0.426 38.883 38.487 -0.049 0.000 0.970 609 N HN 0.488 nan 8.380 nan 0.000 0.462 610 V N -2.306 117.498 119.914 -0.185 0.000 2.994 610 V HA 0.368 4.507 4.120 0.031 0.000 0.318 610 V C 1.490 177.544 176.094 -0.068 0.000 1.085 610 V CA -0.664 61.594 62.300 -0.069 0.000 0.998 610 V CB 1.453 33.258 31.823 -0.029 0.000 1.063 610 V HN 0.159 nan 8.190 nan 0.000 0.447 611 S N 0.282 115.976 115.700 -0.011 0.000 2.383 611 S HA -0.206 4.282 4.470 0.031 0.000 0.229 611 S C 1.401 175.998 174.600 -0.006 0.000 1.030 611 S CA 1.603 59.805 58.200 0.003 0.000 1.002 611 S CB -0.682 62.546 63.200 0.046 0.000 0.829 611 S HN 0.889 nan 8.310 nan 0.000 0.467 612 E N 0.830 121.029 120.200 -0.001 0.000 2.209 612 E HA 0.032 4.401 4.350 0.031 0.000 0.196 612 E C 1.073 177.653 176.600 -0.035 0.000 0.993 612 E CA 0.621 57.025 56.400 0.007 0.000 0.819 612 E CB -0.230 29.485 29.700 0.026 0.000 0.745 612 E HN 0.335 nan 8.360 nan 0.000 0.477 613 L N -0.916 120.248 121.223 -0.099 0.000 2.741 613 L HA 0.329 4.688 4.340 0.031 0.000 0.237 613 L C 1.129 177.900 176.870 -0.165 0.000 1.178 613 L CA 0.728 55.462 54.840 -0.175 0.000 0.973 613 L CB 0.123 42.018 42.059 -0.273 0.000 1.255 613 L HN 0.222 nan 8.230 nan 0.000 0.498 614 G N 0.127 108.868 108.800 -0.099 0.000 2.162 614 G HA2 -0.380 3.599 3.960 0.031 0.000 0.260 614 G HA3 -0.380 3.599 3.960 0.031 0.000 0.260 614 G C 0.741 175.614 174.900 -0.045 0.000 0.976 614 G CA 0.255 45.318 45.100 -0.061 0.000 0.655 614 G HN 0.479 nan 8.290 nan 0.000 0.533 615 N N -1.729 116.909 118.700 -0.102 0.000 2.714 615 N HA -0.236 4.522 4.740 0.031 0.000 0.252 615 N C 0.881 176.452 175.510 0.103 0.000 1.014 615 N CA 1.307 54.316 53.050 -0.068 0.000 0.735 615 N CB -1.200 37.307 38.487 0.033 0.000 0.924 615 N HN 1.053 nan 8.380 nan 0.000 0.540 616 W N -3.238 118.102 121.300 0.068 0.000 3.207 616 W HA -0.273 4.406 4.660 0.031 0.000 0.291 616 W C 0.375 176.995 176.519 0.169 0.000 1.105 616 W CA 0.423 57.846 57.345 0.129 0.000 0.612 616 W CB -1.386 28.104 29.460 0.050 0.000 2.140 616 W HN 0.352 nan 8.180 nan 0.000 1.420 617 D N 0.022 120.570 120.400 0.246 0.000 2.316 617 D HA 0.207 4.866 4.640 0.031 0.000 0.245 617 D C -0.944 175.418 176.300 0.104 0.000 1.171 617 D CA -2.177 51.926 54.000 0.172 0.000 0.856 617 D CB 1.334 42.185 40.800 0.085 0.000 1.090 617 D HN -0.224 nan 8.370 nan 0.000 0.476 618 P HA -0.090 nan 4.420 nan 0.000 0.218 618 P C 0.495 177.681 177.300 -0.189 0.000 1.148 618 P CA 1.074 64.121 63.100 -0.089 0.000 0.822 618 P CB 0.231 31.895 31.700 -0.059 0.000 0.784 619 N N -1.500 117.135 118.700 -0.108 0.000 2.459 619 N HA -0.062 4.697 4.740 0.031 0.000 0.181 619 N C 0.758 176.199 175.510 -0.115 0.000 1.046 619 N CA 0.663 53.636 53.050 -0.128 0.000 0.904 619 N CB -0.380 38.065 38.487 -0.070 0.000 0.964 619 N HN 0.112 nan 8.380 nan 0.000 0.444 620 N N -0.520 118.129 118.700 -0.085 0.000 2.235 620 N HA 0.295 5.054 4.740 0.031 0.000 0.231 620 N C -0.848 174.616 175.510 -0.076 0.000 1.177 620 N CA -0.229 52.782 53.050 -0.066 0.000 0.874 620 N CB 0.734 39.202 38.487 -0.031 0.000 1.097 620 N HN 0.106 nan 8.380 nan 0.000 0.518 621 A N 0.461 123.210 122.820 -0.119 0.000 2.406 621 A HA 0.241 4.579 4.320 0.031 0.000 0.243 621 A C 0.139 177.704 177.584 -0.030 0.000 1.082 621 A CA -0.048 51.929 52.037 -0.100 0.000 0.786 621 A CB 0.233 19.133 19.000 -0.167 0.000 1.029 621 A HN 0.145 nan 8.150 nan 0.000 0.495 622 I N 1.524 122.052 120.570 -0.068 0.000 2.416 622 I HA 0.518 4.707 4.170 0.031 0.000 0.288 622 I C 0.974 176.952 176.117 -0.232 0.000 1.051 622 I CA 1.418 62.622 61.300 -0.160 0.000 1.375 622 I CB -0.195 37.673 38.000 -0.219 0.000 1.407 622 I HN 0.988 nan 8.210 nan 0.000 0.516 623 G N 8.679 117.250 108.800 -0.381 0.000 2.339 623 G HA2 0.099 4.078 3.960 0.031 0.000 0.275 623 G HA3 0.099 4.078 3.960 0.031 0.000 0.275 623 G C -3.120 171.505 174.900 -0.457 0.000 1.323 623 G CA -0.780 43.877 45.100 -0.740 0.000 0.927 623 G HN 0.397 nan 8.290 nan 0.000 0.486 624 P HA 0.320 nan 4.420 nan 0.000 0.268 624 P C 0.231 177.171 177.300 -0.601 0.000 1.205 624 P CA 0.095 62.556 63.100 -1.064 0.000 0.771 624 P CB 0.513 31.860 31.700 -0.589 0.000 0.858 625 M N 1.824 121.146 119.600 -0.464 0.000 2.157 625 M HA 0.134 4.633 4.480 0.031 0.000 0.304 625 M C 0.311 176.760 176.300 0.249 0.000 1.171 625 M CA 0.262 55.491 55.300 -0.119 0.000 1.157 625 M CB -0.027 32.614 32.600 0.068 0.000 1.403 625 M HN 0.275 nan 8.290 nan 0.000 0.473 626 Y N 1.210 121.535 120.300 0.041 0.000 2.354 626 Y HA 0.258 4.827 4.550 0.031 0.000 0.322 626 Y C 0.556 176.282 175.900 -0.290 0.000 1.253 626 Y CA -1.323 56.621 58.100 -0.260 0.000 1.272 626 Y CB 0.558 38.597 38.460 -0.703 0.000 1.255 626 Y HN 0.695 nan 8.280 nan 0.000 0.500 627 N N -1.448 117.215 118.700 -0.062 0.000 2.330 627 N HA 0.085 4.844 4.740 0.031 0.000 0.249 627 N C -0.398 175.081 175.510 -0.051 0.000 1.413 627 N CA -0.111 52.862 53.050 -0.128 0.000 0.817 627 N CB -0.150 37.895 38.487 -0.737 0.000 1.362 627 N HN 0.626 nan 8.380 nan 0.000 0.499 628 Q N -0.369 119.445 119.800 0.022 0.000 2.627 628 Q HA 0.315 4.674 4.340 0.031 0.000 0.201 628 Q C 1.180 177.139 176.000 -0.068 0.000 0.912 628 Q CA 0.517 56.292 55.803 -0.047 0.000 0.877 628 Q CB 0.492 29.175 28.738 -0.091 0.000 1.125 628 Q HN 0.071 nan 8.270 nan 0.000 0.637 629 V N 0.584 120.432 119.914 -0.109 0.000 2.251 629 V HA -0.141 3.997 4.120 0.031 0.000 0.237 629 V C 2.140 177.866 176.094 -0.614 0.000 1.040 629 V CA 1.383 63.473 62.300 -0.350 0.000 1.005 629 V CB -0.529 31.044 31.823 -0.417 0.000 0.645 629 V HN 0.136 nan 8.190 nan 0.000 0.458 630 V N -1.775 117.596 119.914 -0.905 0.000 2.548 630 V HA -0.064 4.075 4.120 0.031 0.000 0.249 630 V C 0.597 176.061 176.094 -1.050 0.000 1.055 630 V CA 1.366 62.935 62.300 -1.219 0.000 1.065 630 V CB -0.627 30.227 31.823 -1.615 0.000 0.681 630 V HN 0.507 nan 8.190 nan 0.000 0.462 631 Y N -1.529 118.463 120.300 -0.513 0.000 2.553 631 Y HA 0.678 5.246 4.550 0.031 0.000 0.347 631 Y C -0.263 175.624 175.900 -0.022 0.000 1.019 631 Y CA -1.210 56.792 58.100 -0.164 0.000 1.032 631 Y CB 1.733 40.172 38.460 -0.035 0.000 1.284 631 Y HN -0.039 nan 8.280 nan 0.000 0.466 632 Q N 0.716 120.584 119.800 0.113 0.000 2.342 632 Q HA 0.310 4.669 4.340 0.031 0.000 0.267 632 Q C -1.408 174.597 176.000 0.008 0.000 1.038 632 Q CA -1.009 54.818 55.803 0.040 0.000 0.832 632 Q CB 1.545 30.289 28.738 0.010 0.000 1.323 632 Q HN 0.574 nan 8.270 nan 0.000 0.448 633 Y N 4.394 124.563 120.300 -0.219 0.000 3.032 633 Y HA -0.064 4.504 4.550 0.031 0.000 0.344 633 Y C -1.308 174.528 175.900 -0.108 0.000 1.273 633 Y CA -0.372 57.544 58.100 -0.307 0.000 1.588 633 Y CB 0.694 38.928 38.460 -0.377 0.000 1.209 633 Y HN 0.553 nan 8.280 nan 0.000 0.597 634 P HA 0.091 nan 4.420 nan 0.000 0.249 634 P C -0.827 176.370 177.300 -0.171 0.000 1.583 634 P CA -0.016 62.526 63.100 -0.930 0.000 0.988 634 P CB -0.000 31.153 31.700 -0.912 0.000 1.530 635 T N 0.671 115.172 114.554 -0.088 0.000 2.767 635 T HA 0.350 4.719 4.350 0.031 0.000 0.288 635 T C -0.723 174.068 174.700 0.152 0.000 0.963 635 T CA 0.017 62.170 62.100 0.089 0.000 1.019 635 T CB 0.692 69.604 68.868 0.073 0.000 0.923 635 T HN 0.039 nan 8.240 nan 0.000 0.468 636 W N 2.821 124.127 121.300 0.010 0.000 2.719 636 W HA 0.662 5.340 4.660 0.031 0.000 0.352 636 W C -0.684 175.911 176.519 0.126 0.000 1.085 636 W CA -1.043 56.354 57.345 0.088 0.000 1.187 636 W CB 0.928 30.390 29.460 0.003 0.000 1.417 636 W HN 0.715 nan 8.180 nan 0.000 0.557 637 Y N -0.447 120.045 120.300 0.319 0.000 2.597 637 Y HA 0.789 5.358 4.550 0.031 0.000 0.340 637 Y C -2.024 174.129 175.900 0.422 0.000 1.097 637 Y CA -2.548 55.710 58.100 0.263 0.000 1.037 637 Y CB 1.544 40.137 38.460 0.221 0.000 1.305 637 Y HN 0.546 nan 8.280 nan 0.000 0.463 638 Y N 0.535 120.988 120.300 0.256 0.000 2.592 638 Y HA 0.411 4.979 4.550 0.031 0.000 0.334 638 Y C -1.702 174.410 175.900 0.352 0.000 1.136 638 Y CA -1.085 57.100 58.100 0.142 0.000 1.042 638 Y CB 2.032 40.503 38.460 0.017 0.000 1.325 638 Y HN 0.767 nan 8.280 nan 0.000 0.457 639 D N 3.344 123.821 120.400 0.130 0.000 2.392 639 D HA 0.466 5.125 4.640 0.031 0.000 0.228 639 D C -1.171 175.315 176.300 0.310 0.000 1.074 639 D CA 0.025 54.200 54.000 0.292 0.000 0.838 639 D CB 1.961 42.956 40.800 0.325 0.000 1.067 639 D HN 0.190 nan 8.370 nan 0.000 0.511 640 V N 1.367 121.527 119.914 0.410 0.000 2.495 640 V HA 0.303 4.441 4.120 0.031 0.000 0.298 640 V C 0.457 176.734 176.094 0.305 0.000 1.031 640 V CA -0.861 61.667 62.300 0.379 0.000 0.871 640 V CB 2.011 34.039 31.823 0.342 0.000 0.988 640 V HN 0.444 nan 8.190 nan 0.000 0.432 641 S N 3.768 119.614 115.700 0.243 0.000 2.481 641 S HA 0.578 5.066 4.470 0.031 0.000 0.276 641 S C -0.404 174.285 174.600 0.149 0.000 1.247 641 S CA -0.409 57.892 58.200 0.169 0.000 1.053 641 S CB 0.296 63.564 63.200 0.113 0.000 0.925 641 S HN 0.916 nan 8.310 nan 0.000 0.491 642 V N 3.365 123.368 119.914 0.148 0.000 3.040 642 V HA 0.779 4.918 4.120 0.031 0.000 0.312 642 V C -2.740 173.415 176.094 0.101 0.000 1.115 642 V CA -2.786 59.592 62.300 0.130 0.000 0.998 642 V CB 1.648 33.588 31.823 0.194 0.000 1.042 642 V HN 0.682 nan 8.190 nan 0.000 0.433 643 P HA 0.230 nan 4.420 nan 0.000 0.268 643 P C -0.231 177.108 177.300 0.065 0.000 1.204 643 P CA 0.500 63.635 63.100 0.059 0.000 0.768 643 P CB 0.940 32.669 31.700 0.048 0.000 0.842 644 A N 2.778 125.628 122.820 0.051 0.000 2.354 644 A HA 0.541 4.880 4.320 0.031 0.000 0.269 644 A C 1.278 178.879 177.584 0.029 0.000 1.109 644 A CA 0.198 52.263 52.037 0.047 0.000 0.800 644 A CB -0.774 18.250 19.000 0.040 0.000 1.045 644 A HN 0.840 nan 8.150 nan 0.000 0.489 645 G N 0.942 109.752 108.800 0.016 0.000 2.225 645 G HA2 -0.105 3.873 3.960 0.031 0.000 0.264 645 G HA3 -0.105 3.873 3.960 0.031 0.000 0.264 645 G C -0.152 174.743 174.900 -0.009 0.000 1.060 645 G CA 0.631 45.728 45.100 -0.005 0.000 0.833 645 G HN 1.679 nan 8.290 nan 0.000 0.498 646 Q N -1.570 118.225 119.800 -0.008 0.000 2.462 646 Q HA 0.689 5.048 4.340 0.031 0.000 0.285 646 Q C -0.629 175.374 176.000 0.006 0.000 1.035 646 Q CA -0.906 54.899 55.803 0.003 0.000 0.799 646 Q CB 0.894 29.648 28.738 0.026 0.000 1.452 646 Q HN 0.117 nan 8.270 nan 0.000 0.404 647 T N 2.773 117.340 114.554 0.022 0.000 2.779 647 T HA 0.441 4.810 4.350 0.031 0.000 0.296 647 T C 0.277 175.050 174.700 0.122 0.000 0.938 647 T CA -0.345 61.790 62.100 0.058 0.000 1.119 647 T CB -0.348 68.553 68.868 0.056 0.000 0.891 647 T HN 0.477 nan 8.240 nan 0.000 0.526 648 I N 0.067 120.763 120.570 0.210 0.000 2.607 648 I HA 0.683 4.871 4.170 0.031 0.000 0.305 648 I C -0.141 176.179 176.117 0.339 0.000 0.995 648 I CA -1.091 60.351 61.300 0.236 0.000 1.148 648 I CB 1.770 39.919 38.000 0.248 0.000 1.323 648 I HN 0.387 nan 8.210 nan 0.000 0.461 649 E N 3.936 124.287 120.200 0.252 0.000 2.202 649 E HA 0.668 5.037 4.350 0.031 0.000 0.272 649 E C -1.472 175.242 176.600 0.190 0.000 0.951 649 E CA -0.602 55.959 56.400 0.267 0.000 0.813 649 E CB 2.370 32.291 29.700 0.368 0.000 1.151 649 E HN 0.597 nan 8.360 nan 0.000 0.398 650 F N -0.757 119.232 119.950 0.065 0.000 2.713 650 F HA 0.664 5.210 4.527 0.031 0.000 0.311 650 F C -1.152 174.704 175.800 0.093 0.000 1.141 650 F CA -1.114 56.803 58.000 -0.138 0.000 0.939 650 F CB 1.526 40.354 39.000 -0.287 0.000 1.325 650 F HN 0.126 nan 8.300 nan 0.000 0.453 651 K N 0.744 121.245 120.400 0.168 0.000 2.555 651 K HA 0.608 4.947 4.320 0.031 0.000 0.279 651 K C -2.041 174.536 176.600 -0.037 0.000 0.986 651 K CA -0.765 55.614 56.287 0.154 0.000 0.880 651 K CB 2.844 35.617 32.500 0.454 0.000 1.474 651 K HN 0.576 nan 8.250 nan 0.000 0.433 652 F N 2.108 122.138 119.950 0.133 0.000 2.497 652 F HA 0.550 5.096 4.527 0.031 0.000 0.331 652 F C -0.164 175.645 175.800 0.014 0.000 1.060 652 F CA -0.972 57.073 58.000 0.075 0.000 0.989 652 F CB 1.157 40.230 39.000 0.122 0.000 1.245 652 F HN 0.118 nan 8.300 nan 0.000 0.486 653 L N -0.501 120.831 121.223 0.182 0.000 2.469 653 L HA 0.631 4.990 4.340 0.031 0.000 0.256 653 L C -1.632 175.299 176.870 0.101 0.000 1.006 653 L CA -1.269 53.564 54.840 -0.011 0.000 0.832 653 L CB 1.578 43.205 42.059 -0.721 0.000 1.421 653 L HN 0.565 nan 8.230 nan 0.000 0.410 654 K N 1.462 121.893 120.400 0.051 0.000 2.206 654 K HA 0.588 4.927 4.320 0.031 0.000 0.264 654 K C -0.771 175.805 176.600 -0.041 0.000 0.967 654 K CA -0.487 55.775 56.287 -0.043 0.000 0.844 654 K CB 2.364 34.773 32.500 -0.150 0.000 1.099 654 K HN 0.592 nan 8.250 nan 0.000 0.441 655 K N 2.617 123.040 120.400 0.039 0.000 2.345 655 K HA 0.180 4.519 4.320 0.031 0.000 0.255 655 K C -1.421 175.193 176.600 0.024 0.000 0.934 655 K CA -0.547 55.700 56.287 -0.067 0.000 0.801 655 K CB 1.561 33.855 32.500 -0.344 0.000 1.137 655 K HN 0.557 nan 8.250 nan 0.000 0.424 656 Q N 3.528 123.321 119.800 -0.011 0.000 2.414 656 Q HA 0.300 4.658 4.340 0.031 0.000 0.256 656 Q C 0.115 176.113 176.000 -0.003 0.000 0.974 656 Q CA 0.202 56.014 55.803 0.016 0.000 0.723 656 Q CB 1.254 30.001 28.738 0.016 0.000 1.281 656 Q HN 0.971 nan 8.270 nan 0.000 0.470 657 G N 2.150 110.950 108.800 0.000 0.000 2.675 657 G HA2 -0.372 3.607 3.960 0.031 0.000 0.312 657 G HA3 -0.372 3.607 3.960 0.031 0.000 0.312 657 G C 0.490 175.367 174.900 -0.039 0.000 1.186 657 G CA 0.595 45.689 45.100 -0.010 0.000 0.965 657 G HN 0.629 nan 8.290 nan 0.000 0.548 658 S N 0.800 116.482 115.700 -0.030 0.000 2.539 658 S HA 0.381 4.870 4.470 0.031 0.000 0.221 658 S C 0.487 175.068 174.600 -0.032 0.000 0.987 658 S CA 0.920 59.098 58.200 -0.037 0.000 0.929 658 S CB 0.845 64.033 63.200 -0.019 0.000 0.832 658 S HN 0.831 nan 8.310 nan 0.000 0.492 659 T N 2.944 117.481 114.554 -0.028 0.000 2.728 659 T HA 0.458 4.827 4.350 0.031 0.000 0.296 659 T C -0.204 174.469 174.700 -0.045 0.000 0.940 659 T CA -0.231 61.860 62.100 -0.015 0.000 1.013 659 T CB 1.279 70.147 68.868 -0.000 0.000 0.912 659 T HN -0.067 nan 8.240 nan 0.000 0.484 660 V N 4.437 124.329 119.914 -0.037 0.000 2.435 660 V HA 0.541 4.680 4.120 0.031 0.000 0.290 660 V C 0.205 176.273 176.094 -0.043 0.000 1.030 660 V CA -0.820 61.406 62.300 -0.122 0.000 0.881 660 V CB 1.729 33.473 31.823 -0.131 0.000 0.983 660 V HN 1.017 nan 8.190 nan 0.000 0.445 661 T N 2.579 117.077 114.554 -0.093 0.000 2.847 661 T HA 0.486 4.855 4.350 0.031 0.000 0.291 661 T C -0.897 173.861 174.700 0.097 0.000 0.998 661 T CA -0.439 61.710 62.100 0.081 0.000 0.967 661 T CB 0.668 69.589 68.868 0.088 0.000 0.954 661 T HN 0.528 nan 8.240 nan 0.000 0.441 662 W N 1.513 122.923 121.300 0.184 0.000 2.436 662 W HA 0.458 5.137 4.660 0.031 0.000 0.347 662 W C 0.697 177.259 176.519 0.071 0.000 1.136 662 W CA -0.968 56.457 57.345 0.134 0.000 1.286 662 W CB 0.629 30.112 29.460 0.038 0.000 1.253 662 W HN 0.576 nan 8.180 nan 0.000 0.617 663 E N 0.618 120.852 120.200 0.057 0.000 2.404 663 E HA 0.261 4.629 4.350 0.031 0.000 0.261 663 E C 0.673 177.228 176.600 -0.075 0.000 1.074 663 E CA -0.082 56.087 56.400 -0.385 0.000 0.917 663 E CB 0.625 29.972 29.700 -0.589 0.000 0.965 663 E HN 0.599 nan 8.360 nan 0.000 0.433 664 G N 0.674 109.411 108.800 -0.105 0.000 2.494 664 G HA2 0.474 4.453 3.960 0.031 0.000 0.270 664 G HA3 0.474 4.453 3.960 0.031 0.000 0.270 664 G C 0.343 175.191 174.900 -0.087 0.000 1.423 664 G CA 0.007 45.080 45.100 -0.045 0.000 1.055 664 G HN 0.765 nan 8.290 nan 0.000 0.536 665 G N -1.763 106.998 108.800 -0.065 0.000 2.752 665 G HA2 0.360 4.338 3.960 0.031 0.000 0.234 665 G HA3 0.360 4.338 3.960 0.031 0.000 0.234 665 G C 0.354 175.204 174.900 -0.083 0.000 1.367 665 G CA 0.180 45.239 45.100 -0.068 0.000 0.879 665 G HN 1.947 nan 8.290 nan 0.000 0.563 666 A N -0.243 122.530 122.820 -0.078 0.000 2.272 666 A HA 0.670 5.009 4.320 0.031 0.000 0.275 666 A C 0.685 178.211 177.584 -0.097 0.000 1.096 666 A CA 0.078 52.061 52.037 -0.090 0.000 0.822 666 A CB 0.232 19.191 19.000 -0.069 0.000 1.088 666 A HN 1.023 nan 8.150 nan 0.000 0.495 667 N N 0.720 119.360 118.700 -0.099 0.000 2.454 667 N HA 0.148 4.907 4.740 0.031 0.000 0.254 667 N C -0.047 175.386 175.510 -0.128 0.000 1.228 667 N CA 0.393 53.404 53.050 -0.065 0.000 0.900 667 N CB 0.261 38.763 38.487 0.024 0.000 1.089 667 N HN 0.516 nan 8.380 nan 0.000 0.449 668 R N 0.154 120.462 120.500 -0.319 0.000 2.490 668 R HA 0.388 4.746 4.340 0.031 0.000 0.278 668 R C 0.309 176.319 176.300 -0.484 0.000 1.069 668 R CA -0.329 55.439 56.100 -0.553 0.000 1.080 668 R CB 0.594 30.194 30.300 -1.166 0.000 1.030 668 R HN 0.633 nan 8.270 nan 0.000 0.491 669 T N -1.187 113.292 114.554 -0.124 0.000 2.916 669 T HA 0.693 5.062 4.350 0.031 0.000 0.292 669 T C -0.947 174.045 174.700 0.488 0.000 1.055 669 T CA -0.786 61.424 62.100 0.184 0.000 1.009 669 T CB 1.555 70.509 68.868 0.144 0.000 1.118 669 T HN 0.468 nan 8.240 nan 0.000 0.497 670 F N 0.375 120.548 119.950 0.372 0.000 2.650 670 F HA 0.548 5.093 4.527 0.031 0.000 0.310 670 F C -1.213 174.702 175.800 0.191 0.000 1.112 670 F CA -0.514 57.670 58.000 0.307 0.000 0.986 670 F CB 1.911 41.155 39.000 0.407 0.000 1.285 670 F HN 0.749 nan 8.300 nan 0.000 0.440 671 T N 3.757 117.931 114.554 -0.633 0.000 2.733 671 T HA 0.402 4.770 4.350 0.031 0.000 0.294 671 T C 0.034 174.213 174.700 -0.869 0.000 0.956 671 T CA -0.340 61.456 62.100 -0.507 0.000 0.987 671 T CB 0.591 69.288 68.868 -0.285 0.000 0.920 671 T HN 0.743 nan 8.240 nan 0.000 0.470 672 T N 3.013 117.329 114.554 -0.396 0.000 2.898 672 T HA 0.327 4.695 4.350 0.031 0.000 0.301 672 T C -2.220 172.415 174.700 -0.107 0.000 1.049 672 T CA -1.542 60.466 62.100 -0.154 0.000 1.095 672 T CB 0.267 69.186 68.868 0.085 0.000 0.976 672 T HN 0.270 nan 8.240 nan 0.000 0.539 673 P HA 0.121 nan 4.420 nan 0.000 0.272 673 P C 1.060 178.377 177.300 0.028 0.000 1.230 673 P CA -0.339 62.771 63.100 0.016 0.000 0.788 673 P CB 0.600 32.340 31.700 0.066 0.000 0.949 674 T N -2.210 112.358 114.554 0.022 0.000 2.985 674 T HA 0.054 4.422 4.350 0.031 0.000 0.266 674 T C 0.888 175.611 174.700 0.038 0.000 1.076 674 T CA 0.627 62.742 62.100 0.025 0.000 1.135 674 T CB -0.445 68.433 68.868 0.017 0.000 0.890 674 T HN 0.689 nan 8.240 nan 0.000 0.480 675 S N -1.142 114.589 115.700 0.051 0.000 2.588 675 S HA 0.680 5.169 4.470 0.031 0.000 0.269 675 S C 0.135 174.786 174.600 0.086 0.000 1.157 675 S CA -0.469 57.770 58.200 0.065 0.000 0.824 675 S CB 1.406 64.638 63.200 0.054 0.000 1.126 675 S HN 1.386 nan 8.310 nan 0.000 0.464 676 G N 0.728 109.595 108.800 0.112 0.000 2.584 676 G HA2 0.242 4.221 3.960 0.031 0.000 0.229 676 G HA3 0.242 4.221 3.960 0.031 0.000 0.229 676 G C -0.092 174.900 174.900 0.152 0.000 1.320 676 G CA 0.387 45.565 45.100 0.131 0.000 0.891 676 G HN 2.285 nan 8.290 nan 0.000 0.573 677 T N -2.511 112.131 114.554 0.148 0.000 2.858 677 T HA 1.048 5.417 4.350 0.031 0.000 0.285 677 T C 0.019 174.805 174.700 0.144 0.000 1.052 677 T CA 0.459 62.657 62.100 0.163 0.000 1.009 677 T CB 1.788 70.763 68.868 0.178 0.000 1.241 677 T HN 2.655 nan 8.240 nan 0.000 0.542 678 A N 0.085 122.988 122.820 0.137 0.000 2.610 678 A HA 0.780 5.119 4.320 0.031 0.000 0.291 678 A C -0.750 176.835 177.584 0.002 0.000 1.086 678 A CA -0.909 51.209 52.037 0.134 0.000 0.677 678 A CB 1.414 20.601 19.000 0.313 0.000 1.278 678 A HN 0.933 nan 8.150 nan 0.000 0.414 679 T N 0.657 115.174 114.554 -0.063 0.000 2.881 679 T HA 0.580 4.949 4.350 0.031 0.000 0.290 679 T C -1.098 173.401 174.700 -0.336 0.000 1.000 679 T CA -0.344 61.652 62.100 -0.174 0.000 0.978 679 T CB 1.466 70.322 68.868 -0.020 0.000 0.997 679 T HN 0.715 nan 8.240 nan 0.000 0.443 680 V N 4.199 123.779 119.914 -0.558 0.000 2.384 680 V HA 0.547 4.686 4.120 0.031 0.000 0.287 680 V C -0.186 175.789 176.094 -0.199 0.000 1.020 680 V CA -0.870 61.109 62.300 -0.535 0.000 0.850 680 V CB 1.539 32.829 31.823 -0.889 0.000 0.987 680 V HN 0.770 nan 8.190 nan 0.000 0.436 681 N N 3.993 122.655 118.700 -0.065 0.000 2.491 681 N HA 0.592 5.351 4.740 0.031 0.000 0.274 681 N C -1.411 174.118 175.510 0.031 0.000 1.023 681 N CA 0.029 53.058 53.050 -0.034 0.000 0.902 681 N CB 2.081 40.550 38.487 -0.030 0.000 1.267 681 N HN 0.436 nan 8.380 nan 0.000 0.503 682 V N 2.756 122.699 119.914 0.048 0.000 3.141 682 V HA 0.536 4.675 4.120 0.031 0.000 0.312 682 V C -0.523 175.593 176.094 0.037 0.000 1.157 682 V CA -0.884 61.472 62.300 0.095 0.000 1.041 682 V CB 2.511 34.492 31.823 0.263 0.000 1.071 682 V HN 0.596 nan 8.190 nan 0.000 0.441 683 N N 1.248 119.980 118.700 0.054 0.000 2.361 683 N HA 0.237 4.995 4.740 0.031 0.000 0.302 683 N C -1.196 174.359 175.510 0.075 0.000 1.074 683 N CA -0.502 52.584 53.050 0.060 0.000 0.850 683 N CB 1.881 40.407 38.487 0.065 0.000 1.228 683 N HN 0.734 nan 8.380 nan 0.000 0.491 684 W N 3.710 124.988 121.300 -0.037 0.000 2.322 684 W HA 0.014 4.692 4.660 0.031 0.000 0.328 684 W C -0.478 176.056 176.519 0.025 0.000 1.395 684 W CA 0.140 57.477 57.345 -0.013 0.000 1.267 684 W CB 0.398 29.833 29.460 -0.041 0.000 1.259 684 W HN 0.480 nan 8.180 nan 0.000 0.560 685 Q N 8.080 127.628 119.800 -0.420 0.000 2.333 685 Q HA 0.466 4.825 4.340 0.031 0.000 0.265 685 Q C -2.541 173.289 176.000 -0.282 0.000 0.989 685 Q CA -2.063 53.625 55.803 -0.192 0.000 0.842 685 Q CB 2.271 30.923 28.738 -0.143 0.000 1.262 685 Q HN 0.184 nan 8.270 nan 0.000 0.451 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.229 63.100 0.215 0.000 0.800 686 P CB 0.000 31.875 31.700 0.291 0.000 0.726