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 1ded_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 VKNMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR 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 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.052 0.000 0.831 2 P HA 0.273 nan 4.420 nan 0.000 0.279 2 P C 0.430 177.700 177.300 -0.051 0.000 1.252 2 P CA -0.942 62.136 63.100 -0.036 0.000 0.811 2 P CB 0.897 32.576 31.700 -0.036 0.000 1.035 3 D N 0.449 120.827 120.400 -0.035 0.000 2.172 3 D HA -0.458 nan 4.640 nan 0.000 0.196 3 D C 0.681 176.937 176.300 -0.074 0.000 0.999 3 D CA 3.409 57.391 54.000 -0.030 0.000 0.856 3 D CB -0.817 40.012 40.800 0.048 0.000 0.934 3 D HN 0.174 8.530 8.370 -0.023 0.000 0.453 4 T N -7.969 106.534 114.554 -0.086 0.000 3.148 4 T HA 0.049 nan 4.350 nan 0.000 0.253 4 T C 1.243 175.858 174.700 -0.141 0.000 1.134 4 T CA -0.549 61.476 62.100 -0.126 0.000 1.051 4 T CB -0.737 68.065 68.868 -0.109 0.000 0.959 4 T HN -0.092 8.083 8.240 -0.066 0.025 0.525 5 S N 1.888 117.509 115.700 -0.132 0.000 2.573 5 S HA -0.054 nan 4.470 nan 0.000 0.277 5 S C 1.010 175.499 174.600 -0.185 0.000 1.346 5 S CA 0.364 58.483 58.200 -0.136 0.000 1.034 5 S CB 0.970 64.100 63.200 -0.117 0.000 0.879 5 S HN -0.363 7.788 8.310 -0.117 0.088 0.528 6 V N 3.007 122.814 119.914 -0.178 0.000 2.970 6 V HA -0.050 nan 4.120 nan 0.000 0.260 6 V C -0.270 175.663 176.094 -0.268 0.000 1.100 6 V CA 0.973 63.141 62.300 -0.221 0.000 1.122 6 V CB -0.214 31.507 31.823 -0.169 0.000 0.721 6 V HN 0.779 8.883 8.190 -0.145 0.000 0.483 7 S N -2.421 113.147 115.700 -0.221 0.000 2.631 7 S HA -0.066 nan 4.470 nan 0.000 0.217 7 S C -0.264 174.232 174.600 -0.174 0.000 0.958 7 S CA 0.072 58.147 58.200 -0.207 0.000 0.920 7 S CB -0.082 63.026 63.200 -0.154 0.000 0.776 7 S HN -0.535 7.646 8.310 -0.180 0.022 0.517 8 N N 2.362 120.939 118.700 -0.205 0.000 2.521 8 N HA 0.034 nan 4.740 nan 0.000 0.236 8 N C -0.487 174.898 175.510 -0.209 0.000 1.067 8 N CA -1.116 51.825 53.050 -0.181 0.000 0.939 8 N CB 0.023 38.392 38.487 -0.196 0.000 1.201 8 N HN -0.760 7.391 8.380 -0.247 0.081 0.511 9 K N 5.601 125.951 120.400 -0.084 0.000 2.365 9 K HA -0.154 nan 4.320 nan 0.000 0.197 9 K C 1.586 178.299 176.600 0.189 0.000 1.042 9 K CA 2.603 58.921 56.287 0.052 0.000 0.987 9 K CB 0.103 32.657 32.500 0.090 0.000 0.779 9 K HN -0.183 8.027 8.250 -0.066 0.000 0.484 10 Q N -3.320 116.539 119.800 0.097 0.000 2.212 10 Q HA -0.158 nan 4.340 nan 0.000 0.199 10 Q C 0.093 176.209 176.000 0.194 0.000 0.950 10 Q CA 1.581 57.481 55.803 0.161 0.000 0.863 10 Q CB 0.551 29.337 28.738 0.079 0.000 0.944 10 Q HN -0.470 7.933 8.270 0.013 -0.126 0.465 11 N N -2.902 115.829 118.700 0.051 0.000 2.225 11 N HA 0.210 nan 4.740 nan 0.000 0.298 11 N C -1.573 173.834 175.510 -0.171 0.000 1.076 11 N CA -0.300 52.720 53.050 -0.050 0.000 0.792 11 N CB 2.311 40.779 38.487 -0.032 0.000 1.498 11 N HN -0.727 7.809 8.380 -0.027 -0.172 0.474 12 F N -0.500 119.042 119.950 -0.680 0.000 2.724 12 F HA 0.197 nan 4.527 nan 0.000 0.310 12 F C 1.021 176.550 175.800 -0.451 0.000 1.107 12 F CA -0.190 57.442 58.000 -0.614 0.000 1.218 12 F CB 1.426 39.845 39.000 -0.968 0.000 1.042 12 F HN 0.655 8.637 8.300 -0.530 0.000 0.540 13 S N 0.355 115.925 115.700 -0.216 0.000 2.440 13 S HA -0.329 nan 4.470 nan 0.000 0.238 13 S C 1.506 175.910 174.600 -0.326 0.000 1.010 13 S CA 4.112 62.161 58.200 -0.250 0.000 0.972 13 S CB -0.404 62.663 63.200 -0.223 0.000 0.774 13 S HN 0.385 8.588 8.310 -0.177 0.000 0.501 14 T N -7.017 107.345 114.554 -0.321 0.000 3.129 14 T HA 0.190 nan 4.350 nan 0.000 0.251 14 T C -0.028 174.538 174.700 -0.223 0.000 1.117 14 T CA -1.077 60.835 62.100 -0.313 0.000 1.034 14 T CB -0.630 68.064 68.868 -0.291 0.000 0.968 14 T HN 0.065 8.113 8.240 -0.277 0.026 0.526 15 D N 1.897 122.191 120.400 -0.177 0.000 2.326 15 D HA 0.295 nan 4.640 nan 0.000 0.248 15 D C -1.357 174.912 176.300 -0.051 0.000 1.001 15 D CA -0.333 53.608 54.000 -0.098 0.000 0.961 15 D CB 3.254 44.034 40.800 -0.034 0.000 1.183 15 D HN -0.297 7.796 8.370 -0.176 0.172 0.502 16 V N -0.091 119.817 119.914 -0.009 0.000 2.409 16 V HA 0.456 nan 4.120 nan 0.000 0.290 16 V C -0.509 175.649 176.094 0.106 0.000 1.017 16 V CA -0.953 61.357 62.300 0.016 0.000 0.841 16 V CB 1.509 33.318 31.823 -0.024 0.000 1.003 16 V HN 0.098 8.282 8.190 -0.010 0.000 0.426 17 I N 7.113 127.782 120.570 0.165 0.000 2.581 17 I HA 0.288 nan 4.170 nan 0.000 0.288 17 I C -1.645 174.661 176.117 0.316 0.000 1.047 17 I CA -0.554 60.908 61.300 0.270 0.000 1.374 17 I CB 1.487 39.673 38.000 0.312 0.000 1.423 17 I HN 0.780 9.065 8.210 0.125 0.000 0.549 18 Y N 7.321 127.721 120.300 0.168 0.000 2.332 18 Y HA 0.263 nan 4.550 nan 0.000 0.326 18 Y C -2.145 173.814 175.900 0.098 0.000 0.978 18 Y CA -2.038 56.128 58.100 0.110 0.000 1.205 18 Y CB 2.659 41.145 38.460 0.043 0.000 1.131 18 Y HN 0.287 8.692 8.280 0.388 0.108 0.462 19 Q N 9.134 128.833 119.800 -0.168 0.000 2.323 19 Q HA 0.327 nan 4.340 nan 0.000 0.257 19 Q C -1.480 174.289 176.000 -0.384 0.000 1.022 19 Q CA -0.276 55.311 55.803 -0.359 0.000 0.919 19 Q CB 0.978 29.416 28.738 -0.501 0.000 1.220 19 Q HN 0.594 8.754 8.270 -0.183 0.000 0.427 20 I N 7.535 127.872 120.570 -0.388 0.000 2.404 20 I HA 0.109 nan 4.170 nan 0.000 0.293 20 I C -1.759 174.125 176.117 -0.389 0.000 0.992 20 I CA -1.303 59.715 61.300 -0.469 0.000 1.149 20 I CB 2.303 40.020 38.000 -0.472 0.000 1.315 20 I HN 0.722 8.709 8.210 -0.371 0.000 0.446 21 F N 7.118 126.633 119.950 -0.726 0.000 2.404 21 F HA 0.109 nan 4.527 nan 0.000 0.359 21 F C 0.966 176.555 175.800 -0.352 0.000 1.134 21 F CA -0.678 57.071 58.000 -0.419 0.000 1.160 21 F CB -0.017 38.825 39.000 -0.264 0.000 1.186 21 F HN 0.321 8.006 8.300 -1.025 0.000 0.526 22 T N 9.188 123.558 114.554 -0.307 0.000 2.685 22 T HA -0.494 nan 4.350 nan 0.000 0.268 22 T C 1.785 176.468 174.700 -0.027 0.000 1.034 22 T CA 4.958 66.912 62.100 -0.245 0.000 1.149 22 T CB -0.556 67.912 68.868 -0.667 0.000 0.860 22 T HN 0.308 8.276 8.240 -0.453 0.000 0.449 23 D N 0.328 120.785 120.400 0.094 0.000 2.264 23 D HA -0.182 nan 4.640 nan 0.000 0.208 23 D C 1.281 177.714 176.300 0.223 0.000 0.966 23 D CA 2.826 56.994 54.000 0.279 0.000 0.864 23 D CB 0.115 41.180 40.800 0.441 0.000 0.933 23 D HN 0.246 8.631 8.370 0.042 0.010 0.499 24 R N -3.598 117.001 120.500 0.165 0.000 2.509 24 R HA 0.265 nan 4.340 nan 0.000 0.300 24 R C -0.212 176.169 176.300 0.135 0.000 0.985 24 R CA -1.209 54.967 56.100 0.127 0.000 1.092 24 R CB -0.542 29.840 30.300 0.137 0.000 1.237 24 R HN 0.004 8.181 8.270 0.112 0.161 0.546 25 F N 1.575 121.507 119.950 -0.030 0.000 2.403 25 F HA 0.199 nan 4.527 nan 0.000 0.263 25 F C -0.670 175.263 175.800 0.221 0.000 1.020 25 F CA 0.813 58.856 58.000 0.073 0.000 1.091 25 F CB 1.845 40.867 39.000 0.037 0.000 1.141 25 F HN -0.747 7.633 8.300 0.244 0.067 0.633 26 S N -1.480 114.302 115.700 0.137 0.000 2.572 26 S HA 0.117 nan 4.470 nan 0.000 0.274 26 S C -2.226 172.425 174.600 0.085 0.000 1.150 26 S CA -1.075 57.135 58.200 0.017 0.000 0.944 26 S CB 1.535 64.611 63.200 -0.207 0.000 1.071 26 S HN -0.283 8.218 8.310 0.317 0.000 0.479 27 D N 8.590 129.036 120.400 0.077 0.000 2.453 27 D HA 0.102 nan 4.640 nan 0.000 0.223 27 D C 0.306 176.639 176.300 0.054 0.000 1.183 27 D CA -1.032 53.024 54.000 0.093 0.000 0.933 27 D CB -0.527 40.346 40.800 0.122 0.000 1.038 27 D HN 0.354 8.764 8.370 0.065 0.000 0.513 28 G N 3.390 112.224 108.800 0.056 0.000 2.939 28 G HA2 -0.132 nan 3.960 nan 0.000 0.210 28 G HA3 -0.132 nan 3.960 nan 0.000 0.210 28 G C -0.562 174.361 174.900 0.038 0.000 1.160 28 G CA 0.020 45.142 45.100 0.036 0.000 0.770 28 G HN 0.081 8.620 8.290 0.079 -0.202 0.543 29 N N -0.312 118.415 118.700 0.045 0.000 2.607 29 N HA 0.389 nan 4.740 nan 0.000 0.271 29 N C -1.865 173.653 175.510 0.013 0.000 1.142 29 N CA -2.724 50.343 53.050 0.028 0.000 0.810 29 N CB 1.217 39.725 38.487 0.034 0.000 1.306 29 N HN -0.670 8.069 8.380 0.056 -0.326 0.536 30 P HA -0.153 nan 4.420 nan 0.000 0.218 30 P C 0.079 177.332 177.300 -0.080 0.000 1.149 30 P CA 1.913 65.000 63.100 -0.022 0.000 0.817 30 P CB 0.381 32.079 31.700 -0.003 0.000 0.785 31 A N -3.518 119.265 122.820 -0.061 0.000 2.186 31 A HA -0.197 nan 4.320 nan 0.000 0.219 31 A C 0.467 177.989 177.584 -0.104 0.000 1.159 31 A CA 2.089 54.079 52.037 -0.079 0.000 0.680 31 A CB -0.866 18.105 19.000 -0.048 0.000 0.787 31 A HN -0.102 8.128 8.150 -0.036 -0.101 0.467 32 N N -4.274 114.364 118.700 -0.104 0.000 2.214 32 N HA 0.018 nan 4.740 nan 0.000 0.214 32 N C -0.582 174.813 175.510 -0.191 0.000 1.132 32 N CA -1.156 51.818 53.050 -0.127 0.000 0.856 32 N CB 0.330 38.764 38.487 -0.088 0.000 1.020 32 N HN -0.475 7.802 8.380 -0.079 0.055 0.509 33 N N 3.321 121.871 118.700 -0.249 0.000 2.520 33 N HA 0.222 nan 4.740 nan 0.000 0.273 33 N C -1.939 173.256 175.510 -0.525 0.000 1.155 33 N CA -1.311 51.498 53.050 -0.401 0.000 0.967 33 N CB -0.492 37.599 38.487 -0.660 0.000 1.092 33 N HN -0.369 7.789 8.380 -0.239 0.078 0.457 34 P HA -0.031 nan 4.420 nan 0.000 0.270 34 P C -1.204 175.881 177.300 -0.359 0.000 1.221 34 P CA 0.062 62.959 63.100 -0.338 0.000 0.788 34 P CB 0.708 32.254 31.700 -0.257 0.000 0.904 35 T N -4.841 109.618 114.554 -0.157 0.000 2.912 35 T HA 0.181 nan 4.350 nan 0.000 0.288 35 T C 0.652 175.379 174.700 0.045 0.000 1.030 35 T CA -1.701 60.338 62.100 -0.102 0.000 1.020 35 T CB 2.217 71.022 68.868 -0.106 0.000 1.056 35 T HN -0.368 7.813 8.240 -0.099 0.000 0.480 36 G N 4.774 113.628 108.800 0.090 0.000 4.637 36 G HA2 -0.547 nan 3.960 nan 0.000 0.359 36 G HA3 -0.547 nan 3.960 nan 0.000 0.359 36 G C 0.522 175.498 174.900 0.126 0.000 1.577 36 G CA 2.062 47.224 45.100 0.103 0.000 1.463 36 G HN 0.631 8.973 8.290 0.087 0.000 0.849 37 A N 3.264 126.149 122.820 0.108 0.000 1.943 37 A HA 0.170 nan 4.320 nan 0.000 0.213 37 A C 0.566 178.242 177.584 0.153 0.000 1.181 37 A CA 1.013 53.116 52.037 0.110 0.000 0.653 37 A CB 0.153 19.203 19.000 0.084 0.000 0.833 37 A HN -0.140 8.031 8.150 0.088 0.032 0.451 38 A N -3.671 119.265 122.820 0.192 0.000 2.238 38 A HA 0.054 nan 4.320 nan 0.000 0.208 38 A C -1.509 176.306 177.584 0.385 0.000 1.177 38 A CA 0.599 52.804 52.037 0.280 0.000 0.804 38 A CB 0.538 19.704 19.000 0.276 0.000 0.823 38 A HN -0.490 7.758 8.150 0.163 0.000 0.482 39 F N -3.155 116.864 119.950 0.115 0.000 2.588 39 F HA 0.526 nan 4.527 nan 0.000 0.310 39 F C -2.258 173.582 175.800 0.068 0.000 1.082 39 F CA -0.980 57.084 58.000 0.107 0.000 0.929 39 F CB 3.879 42.917 39.000 0.062 0.000 1.254 39 F HN -0.882 7.522 8.300 0.295 0.073 0.455 40 D N 5.264 125.230 120.400 -0.723 0.000 2.323 40 D HA 0.236 nan 4.640 nan 0.000 0.242 40 D C 0.269 176.050 176.300 -0.865 0.000 1.347 40 D CA -0.667 52.994 54.000 -0.566 0.000 0.988 40 D CB 1.488 42.129 40.800 -0.265 0.000 1.314 40 D HN 0.727 8.476 8.370 -1.035 0.000 0.564 41 G N 2.367 110.653 108.800 -0.857 0.000 2.448 41 G HA2 -0.280 nan 3.960 nan 0.000 0.219 41 G HA3 -0.280 nan 3.960 nan 0.000 0.219 41 G C 0.582 175.359 174.900 -0.205 0.000 1.127 41 G CA 2.098 46.923 45.100 -0.460 0.000 0.766 41 G HN 0.454 8.379 8.290 -0.608 0.000 0.552 42 S N 0.198 115.800 115.700 -0.162 0.000 2.522 42 S HA 0.005 nan 4.470 nan 0.000 0.227 42 S C 0.179 174.717 174.600 -0.103 0.000 0.986 42 S CA 0.053 58.197 58.200 -0.093 0.000 0.929 42 S CB 0.347 63.510 63.200 -0.061 0.000 0.769 42 S HN -0.723 7.618 8.310 -0.169 -0.133 0.529 43 c N 3.142 121.646 118.600 -0.160 0.000 4.165 43 c HA -0.218 nan 4.570 nan 0.000 0.299 43 c C 0.906 174.938 174.090 -0.096 0.000 1.445 43 c CA 0.515 56.761 56.329 -0.139 0.000 2.029 43 c CB -1.651 40.799 42.510 -0.100 0.000 1.288 43 c HN 0.008 7.974 8.230 -0.239 0.121 0.752 44 T N -2.782 111.719 114.554 -0.088 0.000 3.014 44 T HA -0.165 nan 4.350 nan 0.000 0.263 44 T C 0.412 175.076 174.700 -0.061 0.000 1.078 44 T CA 1.537 63.601 62.100 -0.059 0.000 1.135 44 T CB 0.318 69.158 68.868 -0.047 0.000 0.895 44 T HN -0.182 8.102 8.240 -0.103 -0.105 0.480 45 N N 2.260 120.911 118.700 -0.083 0.000 2.558 45 N HA 0.137 nan 4.740 nan 0.000 0.242 45 N C -0.336 175.096 175.510 -0.130 0.000 0.979 45 N CA -1.397 51.607 53.050 -0.078 0.000 0.931 45 N CB 0.536 38.986 38.487 -0.060 0.000 1.122 45 N HN -0.214 8.296 8.380 -0.105 -0.194 0.508 46 L N 4.155 125.304 121.223 -0.123 0.000 2.675 46 L HA -0.103 nan 4.340 nan 0.000 0.238 46 L C 0.638 177.309 176.870 -0.331 0.000 1.155 46 L CA 0.789 55.511 54.840 -0.196 0.000 0.881 46 L CB -0.576 41.422 42.059 -0.101 0.000 1.008 46 L HN 0.716 8.899 8.230 -0.079 0.000 0.443 47 R N -2.354 118.001 120.500 -0.243 0.000 2.476 47 R HA 0.134 nan 4.340 nan 0.000 0.276 47 R C -0.846 175.347 176.300 -0.179 0.000 0.941 47 R CA -0.193 55.801 56.100 -0.177 0.000 1.088 47 R CB 1.341 31.675 30.300 0.056 0.000 1.216 47 R HN -0.187 8.189 8.270 -0.155 -0.199 0.533 48 L N -0.566 120.517 121.223 -0.233 0.000 2.332 48 L HA 0.473 nan 4.340 nan 0.000 0.269 48 L C -1.096 175.686 176.870 -0.148 0.000 1.016 48 L CA -1.804 52.980 54.840 -0.094 0.000 0.809 48 L CB 2.563 44.608 42.059 -0.024 0.000 1.280 48 L HN -0.677 7.320 8.230 -0.291 0.059 0.447 49 Y N -1.613 118.704 120.300 0.029 0.000 2.526 49 Y HA -0.205 nan 4.550 nan 0.000 0.330 49 Y C 0.543 176.406 175.900 -0.062 0.000 1.156 49 Y CA 2.244 60.409 58.100 0.108 0.000 1.419 49 Y CB -0.158 38.464 38.460 0.270 0.000 1.250 49 Y HN 0.402 8.907 8.280 0.374 0.000 0.540 50 c N 3.398 122.066 118.600 0.113 0.000 2.674 50 c HA 0.175 nan 4.570 nan 0.000 0.276 50 c C 0.800 174.983 174.090 0.155 0.000 1.300 50 c CA 0.234 56.515 56.329 -0.081 0.000 1.732 50 c CB 0.589 43.071 42.510 -0.045 0.000 2.076 50 c HN 0.535 9.246 8.230 0.140 -0.396 0.548 51 G N -1.548 107.493 108.800 0.402 0.000 2.336 51 G HA2 -0.215 nan 3.960 nan 0.000 0.194 51 G HA3 -0.215 nan 3.960 nan 0.000 0.194 51 G C -0.415 174.648 174.900 0.272 0.000 0.999 51 G CA -0.123 45.238 45.100 0.434 0.000 0.669 51 G HN -0.255 8.578 8.290 0.426 -0.288 0.482 52 G N 1.395 110.344 108.800 0.247 0.000 2.321 52 G HA2 -0.209 nan 3.960 nan 0.000 0.237 52 G HA3 -0.209 nan 3.960 nan 0.000 0.237 52 G C -1.423 173.589 174.900 0.188 0.000 1.282 52 G CA 0.579 45.802 45.100 0.204 0.000 0.886 52 G HN -0.647 7.793 8.290 0.250 0.000 0.528 53 D N 2.127 122.614 120.400 0.146 0.000 2.664 53 D HA 0.451 nan 4.640 nan 0.000 0.292 53 D C -0.251 176.160 176.300 0.185 0.000 1.214 53 D CA -1.526 52.521 54.000 0.078 0.000 0.932 53 D CB 1.737 42.577 40.800 0.067 0.000 1.420 53 D HN 0.128 8.599 8.370 0.167 0.000 0.471 54 W N -0.986 120.379 121.300 0.108 0.000 2.363 54 W HA -0.254 nan 4.660 nan 0.000 0.296 54 W C 1.915 178.479 176.519 0.075 0.000 1.212 54 W CA 2.656 60.051 57.345 0.084 0.000 1.260 54 W CB -0.388 29.149 29.460 0.130 0.000 1.131 54 W HN 0.046 8.214 8.180 -0.018 0.000 0.530 55 Q N -0.541 119.435 119.800 0.292 0.000 2.135 55 Q HA -0.351 nan 4.340 nan 0.000 0.204 55 Q C 2.463 178.540 176.000 0.129 0.000 0.981 55 Q CA 3.196 59.101 55.803 0.171 0.000 0.856 55 Q CB -0.942 27.870 28.738 0.124 0.000 0.902 55 Q HN 0.075 8.520 8.270 0.293 0.000 0.425 56 G N -2.314 106.573 108.800 0.144 0.000 2.448 56 G HA2 -0.165 nan 3.960 nan 0.000 0.218 56 G HA3 -0.165 nan 3.960 nan 0.000 0.218 56 G C 1.234 176.235 174.900 0.168 0.000 1.135 56 G CA 1.793 46.954 45.100 0.103 0.000 0.784 56 G HN -0.124 8.285 8.290 0.177 -0.013 0.543 57 I N 2.180 122.915 120.570 0.274 0.000 2.406 57 I HA -0.423 nan 4.170 nan 0.000 0.249 57 I C 1.352 177.565 176.117 0.161 0.000 1.122 57 I CA 2.829 64.324 61.300 0.326 0.000 1.431 57 I CB 0.045 38.194 38.000 0.248 0.000 1.087 57 I HN -0.934 7.323 8.210 0.277 0.119 0.424 58 I N 1.018 121.646 120.570 0.097 0.000 2.163 58 I HA -0.698 nan 4.170 nan 0.000 0.243 58 I C 1.746 177.860 176.117 -0.005 0.000 1.085 58 I CA 4.908 66.219 61.300 0.019 0.000 1.347 58 I CB -0.474 37.545 38.000 0.031 0.000 1.044 58 I HN 0.119 8.409 8.210 0.133 0.000 0.408 59 N N -0.748 117.954 118.700 0.003 0.000 2.205 59 N HA -0.288 nan 4.740 nan 0.000 0.186 59 N C 1.868 177.342 175.510 -0.062 0.000 1.015 59 N CA 3.336 56.359 53.050 -0.044 0.000 0.862 59 N CB -0.766 37.674 38.487 -0.079 0.000 0.986 59 N HN 0.143 8.540 8.380 0.027 0.000 0.429 60 K N -0.442 119.952 120.400 -0.009 0.000 2.365 60 K HA -0.070 nan 4.320 nan 0.000 0.197 60 K C 2.054 178.711 176.600 0.095 0.000 1.042 60 K CA 1.411 57.729 56.287 0.051 0.000 0.987 60 K CB -0.368 32.268 32.500 0.225 0.000 0.779 60 K HN -0.826 7.321 8.250 0.054 0.135 0.484 61 I N 0.822 121.399 120.570 0.010 0.000 2.277 61 I HA -0.498 nan 4.170 nan 0.000 0.243 61 I C 2.198 178.199 176.117 -0.194 0.000 1.094 61 I CA 3.996 65.226 61.300 -0.118 0.000 1.393 61 I CB -0.128 37.735 38.000 -0.229 0.000 1.078 61 I HN 0.159 8.380 8.210 0.018 0.000 0.417 62 N N -0.072 118.528 118.700 -0.167 0.000 2.142 62 N HA -0.277 nan 4.740 nan 0.000 0.186 62 N C 1.223 176.731 175.510 -0.003 0.000 1.023 62 N CA 2.609 55.607 53.050 -0.088 0.000 0.852 62 N CB 0.312 38.770 38.487 -0.048 0.000 0.998 62 N HN 0.016 8.318 8.380 -0.130 0.000 0.424 63 D N -3.857 116.538 120.400 -0.009 0.000 2.328 63 D HA -0.004 nan 4.640 nan 0.000 0.226 63 D C 0.670 176.998 176.300 0.047 0.000 1.066 63 D CA -0.559 53.446 54.000 0.007 0.000 0.861 63 D CB -0.122 40.657 40.800 -0.036 0.000 0.912 63 D HN -0.174 8.178 8.370 -0.030 0.000 0.521 64 G N -2.219 106.620 108.800 0.067 0.000 2.175 64 G HA2 -0.472 nan 3.960 nan 0.000 0.244 64 G HA3 -0.472 nan 3.960 nan 0.000 0.244 64 G C 0.072 175.052 174.900 0.133 0.000 0.982 64 G CA -0.042 45.112 45.100 0.090 0.000 0.641 64 G HN -0.607 7.630 8.290 0.046 0.080 0.527 65 Y N 3.045 123.384 120.300 0.066 0.000 2.114 65 Y HA -0.326 nan 4.550 nan 0.000 0.284 65 Y C 0.736 176.740 175.900 0.174 0.000 1.143 65 Y CA 4.226 62.423 58.100 0.163 0.000 1.135 65 Y CB 0.337 38.889 38.460 0.153 0.000 0.980 65 Y HN -0.698 7.958 8.280 0.229 -0.238 0.499 66 L N -3.697 117.554 121.223 0.046 0.000 2.131 66 L HA -0.235 nan 4.340 nan 0.000 0.206 66 L C 2.178 178.960 176.870 -0.147 0.000 1.087 66 L CA 2.549 57.306 54.840 -0.138 0.000 0.767 66 L CB -0.676 41.359 42.059 -0.040 0.000 0.917 66 L HN -0.135 8.205 8.230 0.184 0.000 0.441 67 T N -3.902 110.624 114.554 -0.046 0.000 2.904 67 T HA -0.138 nan 4.350 nan 0.000 0.267 67 T C 2.636 177.311 174.700 -0.041 0.000 1.059 67 T CA 3.478 65.564 62.100 -0.023 0.000 1.137 67 T CB -0.753 68.148 68.868 0.055 0.000 0.879 67 T HN 0.073 8.313 8.240 -0.001 0.000 0.467 68 G N 1.980 110.776 108.800 -0.008 0.000 2.470 68 G HA2 -0.214 nan 3.960 nan 0.000 0.220 68 G HA3 -0.214 nan 3.960 nan 0.000 0.220 68 G C 0.241 175.099 174.900 -0.071 0.000 1.121 68 G CA 1.516 46.642 45.100 0.043 0.000 0.766 68 G HN -0.041 8.260 8.290 0.018 0.000 0.553 69 M N 0.187 119.595 119.600 -0.320 0.000 2.541 69 M HA 0.037 nan 4.480 nan 0.000 0.252 69 M C -0.384 175.691 176.300 -0.375 0.000 1.125 69 M CA 0.096 54.990 55.300 -0.677 0.000 1.091 69 M CB 0.960 33.015 32.600 -0.907 0.000 1.420 69 M HN -0.849 7.131 8.290 -0.274 0.145 0.486 70 G N -1.817 106.849 108.800 -0.224 0.000 2.141 70 G HA2 -0.304 nan 3.960 nan 0.000 0.231 70 G HA3 -0.304 nan 3.960 nan 0.000 0.231 70 G C -0.252 174.570 174.900 -0.130 0.000 0.984 70 G CA -0.078 44.932 45.100 -0.150 0.000 0.660 70 G HN -0.483 7.523 8.290 -0.189 0.171 0.525 71 I N 0.095 120.574 120.570 -0.151 0.000 2.648 71 I HA -0.136 nan 4.170 nan 0.000 0.284 71 I C 0.723 176.815 176.117 -0.041 0.000 1.153 71 I CA 1.020 62.264 61.300 -0.093 0.000 1.426 71 I CB 0.675 38.578 38.000 -0.160 0.000 1.381 71 I HN -0.692 7.372 8.210 -0.195 0.030 0.571 72 T N 3.741 118.293 114.554 -0.004 0.000 3.091 72 T HA 0.322 nan 4.350 nan 0.000 0.277 72 T C -1.246 173.482 174.700 0.048 0.000 0.996 72 T CA -0.933 61.164 62.100 -0.006 0.000 0.897 72 T CB 0.969 69.802 68.868 -0.057 0.000 1.109 72 T HN 0.483 8.733 8.240 0.017 0.000 0.534 73 A N 0.271 123.168 122.820 0.129 0.000 2.604 73 A HA 0.816 nan 4.320 nan 0.000 0.295 73 A C -3.173 174.567 177.584 0.260 0.000 1.067 73 A CA -0.137 52.042 52.037 0.237 0.000 0.683 73 A CB 2.950 22.193 19.000 0.406 0.000 1.281 73 A HN -0.532 7.692 8.150 0.123 0.000 0.407 74 I N -0.122 120.613 120.570 0.276 0.000 2.533 74 I HA 0.624 nan 4.170 nan 0.000 0.290 74 I C -3.088 173.226 176.117 0.328 0.000 1.056 74 I CA -0.935 60.520 61.300 0.259 0.000 1.057 74 I CB 4.467 42.556 38.000 0.149 0.000 1.240 74 I HN 0.190 8.574 8.210 0.289 0.000 0.423 75 W N 9.428 130.789 121.300 0.103 0.000 2.538 75 W HA 0.731 nan 4.660 nan 0.000 0.322 75 W C -2.712 173.808 176.519 0.002 0.000 1.028 75 W CA -3.036 54.354 57.345 0.075 0.000 1.228 75 W CB 1.899 31.436 29.460 0.129 0.000 1.356 75 W HN 0.728 8.994 8.180 0.303 0.097 0.452 76 I N 0.760 121.434 120.570 0.172 0.000 2.750 76 I HA 0.693 nan 4.170 nan 0.000 0.308 76 I C -0.878 175.174 176.117 -0.108 0.000 1.016 76 I CA -2.755 58.511 61.300 -0.057 0.000 1.098 76 I CB 3.349 41.350 38.000 0.003 0.000 1.279 76 I HN 0.643 9.053 8.210 0.334 0.000 0.454 77 S N 0.725 116.234 115.700 -0.319 0.000 2.554 77 S HA -0.291 nan 4.470 nan 0.000 0.290 77 S C -0.176 174.306 174.600 -0.197 0.000 1.309 77 S CA 1.869 59.809 58.200 -0.434 0.000 1.047 77 S CB 0.006 62.866 63.200 -0.566 0.000 0.828 77 S HN 0.053 8.131 8.310 -0.386 0.000 0.509 78 Q N 3.805 123.455 119.800 -0.250 0.000 2.269 78 Q HA -0.152 nan 4.340 nan 0.000 0.300 78 Q C -0.745 175.251 176.000 -0.005 0.000 1.070 78 Q CA -0.370 55.351 55.803 -0.136 0.000 0.957 78 Q CB 0.268 28.890 28.738 -0.194 0.000 1.131 78 Q HN 0.473 8.452 8.270 -0.486 0.000 0.377 79 P HA 0.010 nan 4.420 nan 0.000 0.225 79 P C -1.145 176.256 177.300 0.169 0.000 1.156 79 P CA 0.661 63.857 63.100 0.161 0.000 0.787 79 P CB 0.479 31.959 31.700 -0.367 0.000 0.802 80 V N -0.881 119.000 119.914 -0.055 0.000 2.901 80 V HA -0.251 nan 4.120 nan 0.000 0.307 80 V C 0.023 176.089 176.094 -0.047 0.000 1.084 80 V CA 1.116 63.434 62.300 0.030 0.000 1.184 80 V CB -0.145 31.590 31.823 -0.148 0.000 0.941 80 V HN -0.421 7.580 8.190 -0.205 0.066 0.493 81 E N 6.147 126.337 120.200 -0.017 0.000 2.351 81 E HA -0.160 nan 4.350 nan 0.000 0.266 81 E C -1.029 175.448 176.600 -0.205 0.000 1.031 81 E CA 0.438 56.774 56.400 -0.107 0.000 0.911 81 E CB 1.130 30.817 29.700 -0.020 0.000 0.986 81 E HN -0.138 8.268 8.360 0.077 0.000 0.446 82 N N 3.369 121.883 118.700 -0.309 0.000 2.476 82 N HA 0.561 nan 4.740 nan 0.000 0.276 82 N C -0.014 175.253 175.510 -0.404 0.000 1.204 82 N CA -0.829 52.055 53.050 -0.276 0.000 0.974 82 N CB 2.938 41.277 38.487 -0.248 0.000 1.204 82 N HN -0.063 8.088 8.380 -0.381 0.000 0.543 83 I N -4.088 116.372 120.570 -0.183 0.000 2.696 83 I HA -0.092 nan 4.170 nan 0.000 0.284 83 I C -0.192 175.759 176.117 -0.277 0.000 1.129 83 I CA 0.602 61.801 61.300 -0.168 0.000 1.410 83 I CB 0.379 38.372 38.000 -0.012 0.000 1.399 83 I HN -0.199 8.000 8.210 -0.019 0.000 0.579 84 Y N 2.724 123.041 120.300 0.027 0.000 2.511 84 Y HA -0.086 nan 4.550 nan 0.000 0.279 84 Y C 0.610 176.540 175.900 0.050 0.000 1.157 84 Y CA 0.655 58.769 58.100 0.025 0.000 1.300 84 Y CB 0.004 38.446 38.460 -0.030 0.000 1.052 84 Y HN -0.125 8.427 8.280 0.069 -0.230 0.529 85 S N 0.790 116.569 115.700 0.131 0.000 2.558 85 S HA -0.091 nan 4.470 nan 0.000 0.288 85 S C -0.253 174.409 174.600 0.102 0.000 1.318 85 S CA 1.334 59.572 58.200 0.062 0.000 1.056 85 S CB 0.658 63.816 63.200 -0.070 0.000 0.853 85 S HN -0.300 8.017 8.310 0.089 0.046 0.505 86 V N 4.437 124.400 119.914 0.082 0.000 2.348 86 V HA 0.137 nan 4.120 nan 0.000 0.270 86 V C -0.755 175.357 176.094 0.030 0.000 1.037 86 V CA -0.656 61.709 62.300 0.108 0.000 0.872 86 V CB 0.079 31.966 31.823 0.107 0.000 1.002 86 V HN 0.259 8.482 8.190 0.055 0.000 0.464 87 I N 7.277 127.854 120.570 0.013 0.000 2.488 87 I HA 0.142 nan 4.170 nan 0.000 0.299 87 I C 0.086 176.128 176.117 -0.125 0.000 0.984 87 I CA -0.824 60.382 61.300 -0.157 0.000 1.250 87 I CB 1.959 39.740 38.000 -0.365 0.000 1.389 87 I HN 0.697 8.983 8.210 0.126 0.000 0.488 88 N N 5.833 124.445 118.700 -0.146 0.000 2.368 88 N HA -0.203 nan 4.740 nan 0.000 0.176 88 N C -1.042 174.476 175.510 0.015 0.000 1.021 88 N CA 0.789 53.813 53.050 -0.044 0.000 0.888 88 N CB 0.536 39.025 38.487 0.004 0.000 0.995 88 N HN 0.351 8.656 8.380 -0.125 0.000 0.437 89 Y N -1.964 118.418 120.300 0.137 0.000 2.928 89 Y HA -0.342 nan 4.550 nan 0.000 0.205 89 Y C -0.437 175.500 175.900 0.062 0.000 1.437 89 Y CA 0.583 58.738 58.100 0.092 0.000 0.980 89 Y CB -2.285 36.241 38.460 0.109 0.000 1.500 89 Y HN -0.018 7.967 8.280 -0.491 0.000 0.328 90 S N 0.110 115.916 115.700 0.177 0.000 3.593 90 S HA -0.347 nan 4.470 nan 0.000 0.301 90 S C 0.304 174.954 174.600 0.084 0.000 1.209 90 S CA 0.032 58.295 58.200 0.106 0.000 0.878 90 S CB -1.107 62.149 63.200 0.092 0.000 1.000 90 S HN 0.656 9.061 8.310 0.158 0.000 0.578 91 G N -2.395 106.454 108.800 0.080 0.000 2.147 91 G HA2 -0.499 nan 3.960 nan 0.000 0.244 91 G HA3 -0.499 nan 3.960 nan 0.000 0.244 91 G C -1.093 173.851 174.900 0.072 0.000 1.005 91 G CA 0.533 45.671 45.100 0.063 0.000 0.713 91 G HN -0.195 8.371 8.290 0.085 -0.224 0.515 92 V N -1.022 118.954 119.914 0.103 0.000 2.349 92 V HA 0.087 nan 4.120 nan 0.000 0.284 92 V C -0.635 175.540 176.094 0.135 0.000 1.014 92 V CA -1.506 60.861 62.300 0.113 0.000 0.826 92 V CB 1.070 32.973 31.823 0.132 0.000 1.009 92 V HN -0.067 8.069 8.190 0.125 0.129 0.431 93 N N 7.714 126.478 118.700 0.107 0.000 2.508 93 N HA 0.169 nan 4.740 nan 0.000 0.264 93 N C -1.645 173.966 175.510 0.167 0.000 1.216 93 N CA -0.000 53.119 53.050 0.115 0.000 0.943 93 N CB 0.983 39.525 38.487 0.090 0.000 1.113 93 N HN 0.278 8.710 8.380 0.087 0.000 0.447 94 N N 1.063 119.892 118.700 0.214 0.000 2.336 94 N HA 0.414 nan 4.740 nan 0.000 0.290 94 N C -1.772 173.956 175.510 0.364 0.000 1.058 94 N CA -0.137 53.114 53.050 0.336 0.000 0.865 94 N CB 4.585 43.416 38.487 0.574 0.000 1.581 94 N HN 0.565 8.965 8.380 0.170 0.083 0.480 95 T N -2.074 112.640 114.554 0.268 0.000 2.910 95 T HA 0.629 nan 4.350 nan 0.000 0.287 95 T C -1.624 172.918 174.700 -0.264 0.000 1.050 95 T CA -2.305 59.904 62.100 0.181 0.000 1.011 95 T CB 2.931 71.895 68.868 0.159 0.000 1.195 95 T HN 0.516 8.895 8.240 0.232 0.000 0.540 96 A N -0.102 122.504 122.820 -0.356 0.000 2.416 96 A HA 0.274 nan 4.320 nan 0.000 0.252 96 A C 0.906 177.772 177.584 -1.196 0.000 1.353 96 A CA -0.183 51.300 52.037 -0.924 0.000 0.996 96 A CB -1.115 17.739 19.000 -0.242 0.000 0.961 96 A HN 0.637 8.803 8.150 0.027 0.000 0.523 97 Y N -1.917 117.599 120.300 -1.307 0.000 2.315 97 Y HA -0.462 nan 4.550 nan 0.000 0.288 97 Y C 0.812 176.438 175.900 -0.457 0.000 1.154 97 Y CA 2.688 60.096 58.100 -1.153 0.000 1.229 97 Y CB -1.336 36.567 38.460 -0.929 0.000 0.980 97 Y HN -0.593 7.049 8.280 -0.897 0.100 0.540 98 H N -2.990 115.244 119.070 -1.393 0.000 2.547 98 H HA -0.104 nan 4.556 nan 0.000 0.272 98 H C 1.486 176.311 175.328 -0.838 0.000 0.989 98 H CA -0.444 54.994 56.048 -1.016 0.000 1.214 98 H CB -0.799 28.544 29.762 -0.699 0.000 1.389 98 H HN -0.258 6.428 8.280 -2.558 0.059 0.577 99 G N -1.210 107.216 108.800 -0.623 0.000 2.179 99 G HA2 -0.416 nan 3.960 nan 0.000 0.260 99 G HA3 -0.416 nan 3.960 nan 0.000 0.260 99 G C -0.091 174.603 174.900 -0.342 0.000 0.977 99 G CA 0.996 45.853 45.100 -0.405 0.000 0.641 99 G HN 0.099 7.740 8.290 -0.797 0.171 0.533 100 Y N -4.233 116.082 120.300 0.025 0.000 2.529 100 Y HA -0.038 nan 4.550 nan 0.000 0.290 100 Y C -0.596 175.533 175.900 0.382 0.000 1.177 100 Y CA -0.166 58.041 58.100 0.178 0.000 1.305 100 Y CB -0.037 38.545 38.460 0.203 0.000 1.047 100 Y HN -0.864 7.338 8.280 0.017 0.089 0.522 101 W N -0.622 120.799 121.300 0.202 0.000 2.147 101 W HA 0.331 nan 4.660 nan 0.000 0.325 101 W C -1.627 174.873 176.519 -0.032 0.000 0.855 101 W CA -3.037 54.388 57.345 0.133 0.000 1.642 101 W CB -1.724 27.792 29.460 0.094 0.000 1.750 101 W HN -0.285 8.245 8.180 0.168 -0.249 0.359 102 A N 2.603 125.475 122.820 0.086 0.000 2.351 102 A HA 0.407 nan 4.320 nan 0.000 0.257 102 A C -0.699 176.835 177.584 -0.082 0.000 1.087 102 A CA 0.097 52.004 52.037 -0.217 0.000 0.798 102 A CB 1.462 19.971 19.000 -0.818 0.000 1.033 102 A HN 0.061 8.321 8.150 0.184 0.000 0.488 103 R N -0.675 119.762 120.500 -0.105 0.000 2.428 103 R HA 0.323 nan 4.340 nan 0.000 0.193 103 R C -1.656 174.780 176.300 0.226 0.000 0.852 103 R CA 0.916 57.082 56.100 0.110 0.000 1.055 103 R CB 3.489 33.829 30.300 0.066 0.000 1.343 103 R HN 0.721 8.856 8.270 -0.224 0.000 0.655 104 D N -2.697 117.758 120.400 0.091 0.000 2.764 104 D HA 0.255 nan 4.640 nan 0.000 0.227 104 D C -1.190 175.228 176.300 0.196 0.000 1.347 104 D CA -0.261 53.911 54.000 0.287 0.000 0.953 104 D CB 1.981 42.945 40.800 0.274 0.000 1.476 104 D HN -0.355 7.975 8.370 -0.068 0.000 0.585 105 F N 3.299 123.481 119.950 0.386 0.000 2.804 105 F HA -0.049 nan 4.527 nan 0.000 0.303 105 F C 0.264 176.330 175.800 0.444 0.000 1.154 105 F CA 0.938 59.154 58.000 0.360 0.000 1.401 105 F CB 0.089 39.239 39.000 0.249 0.000 1.106 105 F HN 0.608 9.472 8.300 0.939 0.000 0.568 106 K N -3.198 117.464 120.400 0.436 0.000 2.520 106 K HA 0.129 nan 4.320 nan 0.000 0.206 106 K C -0.568 176.112 176.600 0.133 0.000 1.122 106 K CA -0.295 56.126 56.287 0.223 0.000 1.045 106 K CB 1.436 34.036 32.500 0.167 0.000 0.932 106 K HN -0.580 7.935 8.250 0.394 -0.028 0.571 107 K N -1.293 119.239 120.400 0.220 0.000 2.349 107 K HA 0.257 nan 4.320 nan 0.000 0.243 107 K C -1.914 174.840 176.600 0.256 0.000 1.058 107 K CA -1.614 54.766 56.287 0.155 0.000 0.871 107 K CB 4.277 36.850 32.500 0.122 0.000 1.337 107 K HN -0.855 7.584 8.250 0.316 0.000 0.469 108 T N -3.496 111.192 114.554 0.223 0.000 2.936 108 T HA 0.311 nan 4.350 nan 0.000 0.282 108 T C -0.660 174.104 174.700 0.107 0.000 1.003 108 T CA -2.481 59.802 62.100 0.305 0.000 1.005 108 T CB 1.738 70.841 68.868 0.392 0.000 1.097 108 T HN -0.022 8.312 8.240 0.158 0.000 0.532 109 N N 1.694 120.393 118.700 -0.002 0.000 2.406 109 N HA 0.318 nan 4.740 nan 0.000 0.251 109 N C 0.169 175.515 175.510 -0.274 0.000 1.069 109 N CA -3.403 49.504 53.050 -0.238 0.000 0.947 109 N CB 0.330 38.515 38.487 -0.504 0.000 1.111 109 N HN 0.007 8.451 8.380 0.106 0.000 0.497 110 P HA -0.163 nan 4.420 nan 0.000 0.222 110 P C -0.658 176.509 177.300 -0.222 0.000 1.142 110 P CA 1.631 64.656 63.100 -0.125 0.000 0.788 110 P CB -0.174 31.507 31.700 -0.031 0.000 0.767 111 A N -3.126 119.478 122.820 -0.361 0.000 2.067 111 A HA -0.166 nan 4.320 nan 0.000 0.217 111 A C 0.957 178.406 177.584 -0.225 0.000 1.156 111 A CA 1.841 53.662 52.037 -0.359 0.000 0.683 111 A CB 0.056 18.698 19.000 -0.597 0.000 0.808 111 A HN -0.220 7.946 8.150 -0.438 -0.279 0.455 112 Y N -4.124 115.894 120.300 -0.471 0.000 2.269 112 Y HA -0.105 nan 4.550 nan 0.000 0.294 112 Y C -0.051 175.322 175.900 -0.878 0.000 1.120 112 Y CA 0.048 57.627 58.100 -0.869 0.000 1.159 112 Y CB 1.312 38.881 38.460 -1.484 0.000 1.024 112 Y HN -0.282 7.529 8.280 -0.558 0.134 0.532 113 G N -5.181 103.303 108.800 -0.527 0.000 2.327 113 G HA2 -0.121 nan 3.960 nan 0.000 0.291 113 G HA3 -0.121 nan 3.960 nan 0.000 0.291 113 G C -2.363 172.595 174.900 0.096 0.000 1.290 113 G CA 0.237 45.287 45.100 -0.084 0.000 0.857 113 G HN -0.699 7.257 8.290 -0.556 0.000 0.520 114 T N -3.744 110.968 114.554 0.263 0.000 2.881 114 T HA 0.482 nan 4.350 nan 0.000 0.278 114 T C 1.180 176.134 174.700 0.423 0.000 0.982 114 T CA -1.970 60.287 62.100 0.262 0.000 0.989 114 T CB 2.353 71.320 68.868 0.164 0.000 1.058 114 T HN -0.265 8.341 8.240 0.277 -0.199 0.529 115 M N 1.398 121.177 119.600 0.298 0.000 2.144 115 M HA -0.414 nan 4.480 nan 0.000 0.260 115 M C 1.688 178.150 176.300 0.269 0.000 1.067 115 M CA 3.922 59.386 55.300 0.273 0.000 1.095 115 M CB -1.167 31.506 32.600 0.121 0.000 1.365 115 M HN 0.582 8.999 8.290 0.211 0.000 0.406 116 Q N -0.929 118.991 119.800 0.200 0.000 2.084 116 Q HA -0.317 nan 4.340 nan 0.000 0.202 116 Q C 1.955 178.069 176.000 0.190 0.000 0.978 116 Q CA 3.364 59.260 55.803 0.155 0.000 0.844 116 Q CB -1.125 27.681 28.738 0.113 0.000 0.898 116 Q HN 0.193 8.566 8.270 0.174 0.002 0.426 117 D N -0.465 120.104 120.400 0.282 0.000 2.264 117 D HA -0.237 nan 4.640 nan 0.000 0.208 117 D C 2.424 178.907 176.300 0.306 0.000 0.966 117 D CA 2.962 57.157 54.000 0.325 0.000 0.864 117 D CB -0.483 40.595 40.800 0.463 0.000 0.933 117 D HN -0.455 8.010 8.370 0.310 0.091 0.499 118 F N 1.353 121.399 119.950 0.159 0.000 2.206 118 F HA -0.301 nan 4.527 nan 0.000 0.298 118 F C 0.760 176.484 175.800 -0.127 0.000 1.090 118 F CA 3.575 61.451 58.000 -0.207 0.000 1.323 118 F CB 0.651 39.543 39.000 -0.180 0.000 1.028 118 F HN -0.185 8.319 8.300 0.549 0.124 0.492 119 K N -0.462 119.936 120.400 -0.004 0.000 2.057 119 K HA -0.485 nan 4.320 nan 0.000 0.207 119 K C 2.273 178.788 176.600 -0.142 0.000 1.049 119 K CA 4.008 60.245 56.287 -0.083 0.000 0.931 119 K CB -0.348 32.162 32.500 0.016 0.000 0.714 119 K HN 0.218 8.566 8.250 0.163 0.000 0.440 120 N N -0.066 118.592 118.700 -0.070 0.000 2.149 120 N HA -0.295 nan 4.740 nan 0.000 0.188 120 N C 2.082 177.512 175.510 -0.134 0.000 1.019 120 N CA 2.901 55.914 53.050 -0.061 0.000 0.857 120 N CB -0.504 37.991 38.487 0.014 0.000 0.997 120 N HN -0.319 8.061 8.380 0.001 0.000 0.426 121 L N 0.888 121.971 121.223 -0.234 0.000 2.005 121 L HA -0.233 nan 4.340 nan 0.000 0.207 121 L C 1.402 178.031 176.870 -0.402 0.000 1.072 121 L CA 3.303 57.952 54.840 -0.320 0.000 0.744 121 L CB -0.209 41.539 42.059 -0.518 0.000 0.895 121 L HN -0.221 7.787 8.230 -0.233 0.082 0.433 122 I N -1.082 119.144 120.570 -0.574 0.000 2.118 122 I HA -0.620 nan 4.170 nan 0.000 0.241 122 I C 2.323 178.100 176.117 -0.567 0.000 1.070 122 I CA 3.540 64.458 61.300 -0.637 0.000 1.327 122 I CB -1.709 35.952 38.000 -0.564 0.000 1.034 122 I HN -0.152 7.642 8.210 -0.694 0.000 0.405 123 D N -0.482 119.732 120.400 -0.310 0.000 2.097 123 D HA -0.189 nan 4.640 nan 0.000 0.197 123 D C 2.810 179.073 176.300 -0.061 0.000 0.984 123 D CA 3.723 57.634 54.000 -0.147 0.000 0.826 123 D CB -0.322 40.436 40.800 -0.071 0.000 0.973 123 D HN 0.233 8.435 8.370 -0.279 0.000 0.460 124 T N 2.232 116.754 114.554 -0.054 0.000 2.759 124 T HA -0.300 nan 4.350 nan 0.000 0.269 124 T C 1.881 176.609 174.700 0.046 0.000 1.042 124 T CA 4.219 66.328 62.100 0.016 0.000 1.140 124 T CB -0.444 68.389 68.868 -0.059 0.000 0.864 124 T HN -0.023 8.163 8.240 -0.089 0.000 0.455 125 A N 0.968 123.758 122.820 -0.050 0.000 1.855 125 A HA -0.282 nan 4.320 nan 0.000 0.215 125 A C 2.194 179.870 177.584 0.155 0.000 1.191 125 A CA 3.014 55.055 52.037 0.005 0.000 0.613 125 A CB -0.788 18.169 19.000 -0.071 0.000 0.829 125 A HN -0.089 7.964 8.150 -0.141 0.013 0.442 126 H N -0.718 118.358 119.070 0.010 0.000 2.353 126 H HA -0.251 nan 4.556 nan 0.000 0.300 126 H C 2.938 178.278 175.328 0.020 0.000 1.090 126 H CA 1.285 57.334 56.048 0.003 0.000 1.327 126 H CB -0.575 29.176 29.762 -0.017 0.000 1.383 126 H HN 0.028 8.271 8.280 -0.061 0.000 0.508 127 A N -1.756 121.174 122.820 0.183 0.000 2.076 127 A HA -0.198 nan 4.320 nan 0.000 0.220 127 A C 0.442 178.030 177.584 0.007 0.000 1.160 127 A CA 2.428 54.520 52.037 0.092 0.000 0.653 127 A CB -0.538 18.532 19.000 0.115 0.000 0.801 127 A HN 0.034 8.292 8.150 0.180 0.000 0.455 128 H N -3.606 115.477 119.070 0.022 0.000 2.475 128 H HA 0.132 nan 4.556 nan 0.000 0.276 128 H C -1.195 174.133 175.328 0.000 0.000 1.126 128 H CA -1.004 55.049 56.048 0.007 0.000 1.023 128 H CB 0.025 29.792 29.762 0.008 0.000 1.669 128 H HN -0.454 7.819 8.280 0.295 0.184 0.573 129 N N -2.025 116.723 118.700 0.079 0.000 2.708 129 N HA -0.503 nan 4.740 nan 0.000 0.249 129 N C -1.035 174.488 175.510 0.021 0.000 1.097 129 N CA 2.285 55.346 53.050 0.018 0.000 0.710 129 N CB -1.431 37.042 38.487 -0.023 0.000 1.032 129 N HN 0.007 8.261 8.380 0.074 0.169 0.551 130 I N -0.200 120.417 120.570 0.078 0.000 2.378 130 I HA 0.125 nan 4.170 nan 0.000 0.291 130 I C -1.460 174.743 176.117 0.144 0.000 0.992 130 I CA -0.987 60.362 61.300 0.081 0.000 1.154 130 I CB 1.610 39.655 38.000 0.075 0.000 1.315 130 I HN 0.015 8.169 8.210 0.124 0.130 0.448 131 K N 6.309 126.781 120.400 0.119 0.000 2.126 131 K HA 0.358 nan 4.320 nan 0.000 0.257 131 K C -1.310 175.450 176.600 0.268 0.000 1.007 131 K CA -0.355 56.048 56.287 0.193 0.000 0.928 131 K CB 1.167 33.735 32.500 0.113 0.000 1.013 131 K HN 0.233 8.430 8.250 0.077 0.100 0.473 132 V N 1.889 121.972 119.914 0.282 0.000 2.378 132 V HA 0.609 nan 4.120 nan 0.000 0.288 132 V C -1.268 174.972 176.094 0.243 0.000 1.016 132 V CA -0.852 61.559 62.300 0.184 0.000 0.840 132 V CB 1.379 33.210 31.823 0.013 0.000 0.994 132 V HN 0.186 8.838 8.190 0.339 -0.259 0.431 133 I N 7.765 128.487 120.570 0.253 0.000 2.404 133 I HA 0.695 nan 4.170 nan 0.000 0.293 133 I C -1.421 174.817 176.117 0.202 0.000 0.992 133 I CA -1.112 60.310 61.300 0.204 0.000 1.149 133 I CB 2.579 40.685 38.000 0.176 0.000 1.315 133 I HN 0.989 9.354 8.210 0.259 0.000 0.446 134 I N 1.006 121.648 120.570 0.121 0.000 2.493 134 I HA 0.672 nan 4.170 nan 0.000 0.298 134 I C -1.231 174.930 176.117 0.073 0.000 0.998 134 I CA -2.678 58.689 61.300 0.113 0.000 1.137 134 I CB 2.343 40.350 38.000 0.012 0.000 1.310 134 I HN 0.626 8.877 8.210 0.069 0.000 0.445 135 D N 4.686 125.178 120.400 0.153 0.000 2.414 135 D HA 0.041 nan 4.640 nan 0.000 0.242 135 D C -1.658 174.743 176.300 0.169 0.000 1.129 135 D CA 1.636 55.729 54.000 0.156 0.000 0.885 135 D CB 1.194 42.081 40.800 0.144 0.000 1.198 135 D HN -0.234 8.246 8.370 0.184 0.000 0.437 136 F N 2.288 122.236 119.950 -0.003 0.000 2.556 136 F HA 0.306 nan 4.527 nan 0.000 0.314 136 F C -2.753 173.115 175.800 0.114 0.000 1.106 136 F CA -1.494 56.528 58.000 0.038 0.000 0.911 136 F CB 4.429 43.466 39.000 0.061 0.000 1.190 136 F HN 0.167 8.603 8.300 0.226 0.000 0.448 137 A N 5.499 128.182 122.820 -0.229 0.000 3.064 137 A HA 0.591 nan 4.320 nan 0.000 0.339 137 A C -2.278 175.130 177.584 -0.294 0.000 1.078 137 A CA -2.809 49.142 52.037 -0.143 0.000 0.869 137 A CB -0.425 18.579 19.000 0.007 0.000 1.067 137 A HN 0.882 9.083 8.150 -0.447 -0.320 0.480 138 P HA 0.009 nan 4.420 nan 0.000 0.253 138 P C -0.153 177.042 177.300 -0.176 0.000 1.260 138 P CA 1.285 64.160 63.100 -0.375 0.000 0.800 138 P CB 0.099 31.606 31.700 -0.322 0.000 1.162 139 N N -1.060 117.547 118.700 -0.154 0.000 2.354 139 N HA -0.222 nan 4.740 nan 0.000 0.179 139 N C -0.928 174.614 175.510 0.054 0.000 1.021 139 N CA 1.322 54.379 53.050 0.013 0.000 0.887 139 N CB 1.009 39.547 38.487 0.085 0.000 0.974 139 N HN 0.488 8.648 8.380 -0.234 0.079 0.437 140 H N -8.308 110.800 119.070 0.063 0.000 2.948 140 H HA 0.359 nan 4.556 nan 0.000 0.315 140 H C -1.348 174.104 175.328 0.207 0.000 1.360 140 H CA -0.813 55.285 56.048 0.084 0.000 1.125 140 H CB 1.908 31.702 29.762 0.054 0.000 1.844 140 H HN -0.808 7.246 8.280 -0.309 0.040 0.529 141 T N -0.879 113.902 114.554 0.378 0.000 3.571 141 T HA 0.244 nan 4.350 nan 0.000 0.217 141 T C -1.858 173.017 174.700 0.291 0.000 0.925 141 T CA 0.152 62.452 62.100 0.334 0.000 1.376 141 T CB 0.932 70.014 68.868 0.356 0.000 1.375 141 T HN 0.186 8.622 8.240 0.326 0.000 0.404 142 S N -0.898 114.853 115.700 0.085 0.000 2.656 142 S HA 0.458 nan 4.470 nan 0.000 0.273 142 S C -2.589 171.837 174.600 -0.289 0.000 1.168 142 S CA -2.497 55.645 58.200 -0.098 0.000 0.817 142 S CB 1.499 64.653 63.200 -0.077 0.000 1.146 142 S HN -0.518 7.793 8.310 0.003 0.000 0.475 143 P HA -0.158 nan 4.420 nan 0.000 0.258 143 P C -2.136 175.070 177.300 -0.157 0.000 1.172 143 P CA 1.131 64.075 63.100 -0.261 0.000 0.762 143 P CB -0.676 30.823 31.700 -0.334 0.000 0.764 144 A N 4.688 127.496 122.820 -0.020 0.000 2.549 144 A HA 0.406 nan 4.320 nan 0.000 0.297 144 A C -2.043 175.642 177.584 0.169 0.000 1.061 144 A CA -1.015 51.029 52.037 0.012 0.000 0.690 144 A CB 3.348 22.141 19.000 -0.344 0.000 1.287 144 A HN 0.228 8.345 8.150 -0.055 0.000 0.402 145 S N 0.737 116.622 115.700 0.308 0.000 2.596 145 S HA 0.197 nan 4.470 nan 0.000 0.318 145 S C 0.605 175.349 174.600 0.242 0.000 1.097 145 S CA -1.966 56.359 58.200 0.208 0.000 1.080 145 S CB 0.765 64.003 63.200 0.063 0.000 0.991 145 S HN 0.312 8.833 8.310 0.352 0.000 0.471 146 S N 6.170 122.016 115.700 0.244 0.000 2.419 146 S HA -0.175 nan 4.470 nan 0.000 0.233 146 S C 1.485 176.067 174.600 -0.029 0.000 1.016 146 S CA 2.331 60.523 58.200 -0.014 0.000 0.974 146 S CB 0.047 63.076 63.200 -0.285 0.000 0.786 146 S HN 0.526 9.045 8.310 0.348 0.000 0.492 147 D N 1.690 122.086 120.400 -0.007 0.000 2.117 147 D HA -0.067 nan 4.640 nan 0.000 0.198 147 D C -0.055 176.241 176.300 -0.007 0.000 0.982 147 D CA 2.540 56.526 54.000 -0.023 0.000 0.828 147 D CB 0.160 40.944 40.800 -0.026 0.000 0.967 147 D HN -0.029 8.330 8.370 0.016 0.020 0.464 148 D N -1.161 119.250 120.400 0.019 0.000 2.493 148 D HA 0.413 nan 4.640 nan 0.000 0.235 148 D C -0.719 175.627 176.300 0.077 0.000 1.117 148 D CA -3.661 50.362 54.000 0.038 0.000 0.930 148 D CB 0.569 41.388 40.800 0.031 0.000 1.010 148 D HN -0.713 7.675 8.370 0.030 0.000 0.514 149 P HA -0.195 nan 4.420 nan 0.000 0.227 149 P C -0.117 177.211 177.300 0.048 0.000 1.145 149 P CA 1.302 64.427 63.100 0.042 0.000 0.769 149 P CB -0.115 31.593 31.700 0.013 0.000 0.769 150 S N -3.426 112.312 115.700 0.064 0.000 2.556 150 S HA -0.037 nan 4.470 nan 0.000 0.216 150 S C 0.193 174.835 174.600 0.070 0.000 0.970 150 S CA -0.519 57.711 58.200 0.050 0.000 0.912 150 S CB 0.552 63.777 63.200 0.042 0.000 0.790 150 S HN -0.618 7.910 8.310 0.073 -0.175 0.504 151 F N 4.432 124.359 119.950 -0.038 0.000 2.495 151 F HA -0.129 nan 4.527 nan 0.000 0.365 151 F C -0.542 175.213 175.800 -0.076 0.000 1.090 151 F CA 0.828 58.791 58.000 -0.062 0.000 1.235 151 F CB 1.191 40.154 39.000 -0.062 0.000 1.119 151 F HN -0.403 7.983 8.300 0.230 0.051 0.562 152 A N 7.903 130.157 122.820 -0.944 0.000 5.324 152 A HA -0.491 nan 4.320 nan 0.000 0.337 152 A C -0.574 176.800 177.584 -0.351 0.000 1.730 152 A CA 2.357 53.926 52.037 -0.781 0.000 0.711 152 A CB -0.787 17.495 19.000 -1.197 0.000 1.434 152 A HN 0.616 8.285 8.150 -0.802 0.000 0.400 153 E N 0.643 120.686 120.200 -0.263 0.000 2.869 153 E HA 0.106 nan 4.350 nan 0.000 0.207 153 E C -0.613 175.944 176.600 -0.071 0.000 0.986 153 E CA -1.921 54.423 56.400 -0.092 0.000 1.131 153 E CB 0.223 29.924 29.700 0.001 0.000 1.098 153 E HN 0.291 8.452 8.360 -0.332 0.000 0.459 154 N N 0.540 119.175 118.700 -0.109 0.000 2.701 154 N HA -0.434 nan 4.740 nan 0.000 0.250 154 N C -0.064 175.380 175.510 -0.110 0.000 1.046 154 N CA 1.122 54.138 53.050 -0.055 0.000 0.733 154 N CB -0.406 38.076 38.487 -0.008 0.000 0.973 154 N HN 0.377 8.570 8.380 -0.170 0.085 0.541 155 G N -4.289 104.414 108.800 -0.162 0.000 2.379 155 G HA2 -0.542 nan 3.960 nan 0.000 0.297 155 G HA3 -0.542 nan 3.960 nan 0.000 0.297 155 G C -0.718 174.141 174.900 -0.069 0.000 1.004 155 G CA 0.698 45.690 45.100 -0.181 0.000 0.921 155 G HN -0.076 8.086 8.290 -0.181 0.019 0.511 156 R N -1.312 119.191 120.500 0.005 0.000 2.491 156 R HA -0.115 nan 4.340 nan 0.000 0.283 156 R C -0.891 175.451 176.300 0.070 0.000 1.072 156 R CA 0.261 56.373 56.100 0.019 0.000 1.048 156 R CB 0.847 31.128 30.300 -0.032 0.000 0.983 156 R HN -0.295 7.872 8.270 0.004 0.106 0.450 157 L N 4.821 126.038 121.223 -0.010 0.000 2.313 157 L HA 0.402 nan 4.340 nan 0.000 0.283 157 L C -2.281 174.444 176.870 -0.241 0.000 1.013 157 L CA -0.820 54.030 54.840 0.017 0.000 0.816 157 L CB 2.875 44.953 42.059 0.031 0.000 1.236 157 L HN 0.475 8.705 8.230 0.001 0.000 0.419 158 Y N 5.070 125.420 120.300 0.084 0.000 2.457 158 Y HA 0.431 nan 4.550 nan 0.000 0.333 158 Y C -1.799 174.181 175.900 0.134 0.000 1.119 158 Y CA -1.380 56.769 58.100 0.083 0.000 1.143 158 Y CB 3.349 41.879 38.460 0.116 0.000 1.230 158 Y HN 1.065 9.608 8.280 0.440 0.000 0.469 159 D N 1.665 122.237 120.400 0.287 0.000 2.464 159 D HA 0.163 nan 4.640 nan 0.000 0.243 159 D C -0.594 175.902 176.300 0.327 0.000 1.104 159 D CA -2.136 52.093 54.000 0.381 0.000 0.883 159 D CB 0.376 41.308 40.800 0.220 0.000 1.050 159 D HN 0.554 8.951 8.370 0.248 0.121 0.524 160 N N 6.323 125.222 118.700 0.332 0.000 2.714 160 N HA -0.477 nan 4.740 nan 0.000 0.252 160 N C 0.176 175.789 175.510 0.171 0.000 1.014 160 N CA 0.860 54.035 53.050 0.208 0.000 0.735 160 N CB -0.767 37.812 38.487 0.155 0.000 0.924 160 N HN 0.394 9.273 8.380 0.422 -0.247 0.540 161 G N -3.662 105.259 108.800 0.202 0.000 2.317 161 G HA2 -0.486 nan 3.960 nan 0.000 0.227 161 G HA3 -0.486 nan 3.960 nan 0.000 0.227 161 G C -0.475 174.602 174.900 0.295 0.000 1.042 161 G CA 0.145 45.332 45.100 0.145 0.000 0.623 161 G HN 0.304 8.953 8.290 0.277 -0.192 0.509 162 N N 3.549 122.403 118.700 0.257 0.000 2.438 162 N HA -0.025 nan 4.740 nan 0.000 0.267 162 N C -0.340 175.289 175.510 0.198 0.000 1.222 162 N CA 0.344 53.517 53.050 0.206 0.000 0.930 162 N CB 0.104 38.665 38.487 0.125 0.000 1.083 162 N HN -0.194 8.226 8.380 0.212 0.087 0.476 163 L N 5.625 126.927 121.223 0.132 0.000 2.462 163 L HA -0.001 nan 4.340 nan 0.000 0.272 163 L C -0.694 176.077 176.870 -0.165 0.000 1.166 163 L CA 0.971 55.682 54.840 -0.215 0.000 0.880 163 L CB 0.145 42.087 42.059 -0.195 0.000 1.142 163 L HN 0.202 8.533 8.230 0.168 0.000 0.473 164 L N 4.701 125.776 121.223 -0.246 0.000 2.200 164 L HA 0.299 nan 4.340 nan 0.000 0.200 164 L C -0.182 176.606 176.870 -0.136 0.000 1.072 164 L CA 0.748 55.479 54.840 -0.182 0.000 0.787 164 L CB 0.836 42.742 42.059 -0.255 0.000 0.957 164 L HN 0.793 8.803 8.230 -0.367 0.000 0.459 165 G N -5.983 102.743 108.800 -0.124 0.000 2.355 165 G HA2 0.082 nan 3.960 nan 0.000 0.296 165 G HA3 0.082 nan 3.960 nan 0.000 0.296 165 G C -2.858 172.107 174.900 0.107 0.000 1.507 165 G CA -0.312 44.793 45.100 0.008 0.000 0.823 165 G HN -0.919 7.252 8.290 -0.199 0.000 0.569 166 G N -1.881 106.978 108.800 0.099 0.000 2.597 166 G HA2 0.581 nan 3.960 nan 0.000 0.317 166 G HA3 0.581 nan 3.960 nan 0.000 0.317 166 G C -1.571 173.312 174.900 -0.028 0.000 1.230 166 G CA -1.617 43.496 45.100 0.022 0.000 0.996 166 G HN -0.059 8.278 8.290 0.079 0.000 0.490 167 Y N -0.764 119.287 120.300 -0.415 0.000 2.243 167 Y HA -0.057 nan 4.550 nan 0.000 0.293 167 Y C 0.355 176.181 175.900 -0.123 0.000 1.124 167 Y CA 2.129 59.941 58.100 -0.480 0.000 1.159 167 Y CB 1.464 39.614 38.460 -0.516 0.000 1.008 167 Y HN 0.195 8.506 8.280 -0.113 -0.099 0.527 168 T N 2.687 117.195 114.554 -0.076 0.000 2.853 168 T HA -0.168 nan 4.350 nan 0.000 0.298 168 T C -0.417 174.214 174.700 -0.115 0.000 0.978 168 T CA 2.271 64.300 62.100 -0.119 0.000 1.152 168 T CB -0.417 68.421 68.868 -0.050 0.000 0.914 168 T HN -0.526 8.041 8.240 -0.005 -0.330 0.539 169 N N 3.240 121.840 118.700 -0.166 0.000 2.725 169 N HA -0.400 nan 4.740 nan 0.000 0.251 169 N C -1.408 174.046 175.510 -0.093 0.000 1.031 169 N CA 0.780 53.748 53.050 -0.137 0.000 0.720 169 N CB -0.022 38.411 38.487 -0.090 0.000 0.930 169 N HN 0.406 8.647 8.380 -0.232 0.000 0.543 170 D N -0.922 119.416 120.400 -0.103 0.000 2.455 170 D HA 0.101 nan 4.640 nan 0.000 0.234 170 D C -0.048 176.227 176.300 -0.041 0.000 1.224 170 D CA 0.269 54.280 54.000 0.019 0.000 0.999 170 D CB 0.188 41.120 40.800 0.221 0.000 1.072 170 D HN -0.333 7.896 8.370 -0.191 0.026 0.514 171 T N 4.237 118.766 114.554 -0.041 0.000 2.851 171 T HA -0.046 nan 4.350 nan 0.000 0.262 171 T C 0.281 174.958 174.700 -0.037 0.000 1.043 171 T CA 1.688 63.757 62.100 -0.052 0.000 1.140 171 T CB 0.380 69.219 68.868 -0.048 0.000 0.872 171 T HN -0.227 7.995 8.240 -0.031 0.000 0.446 172 Q N 1.666 121.449 119.800 -0.028 0.000 2.361 172 Q HA 0.042 nan 4.340 nan 0.000 0.250 172 Q C -0.699 175.278 176.000 -0.038 0.000 1.023 172 Q CA -0.981 54.800 55.803 -0.037 0.000 0.915 172 Q CB -0.148 28.563 28.738 -0.045 0.000 1.238 172 Q HN -0.059 8.198 8.270 -0.022 0.000 0.451 173 N N 4.907 123.585 118.700 -0.037 0.000 2.814 173 N HA -0.185 nan 4.740 nan 0.000 0.304 173 N C -0.029 175.420 175.510 -0.101 0.000 1.211 173 N CA 0.709 53.749 53.050 -0.017 0.000 1.158 173 N CB -0.622 37.858 38.487 -0.012 0.000 1.458 173 N HN 0.530 8.888 8.380 -0.037 0.000 0.519 174 L N -0.984 120.138 121.223 -0.169 0.000 2.275 174 L HA -0.184 nan 4.340 nan 0.000 0.215 174 L C -0.522 175.865 176.870 -0.805 0.000 1.119 174 L CA 1.640 56.159 54.840 -0.535 0.000 0.790 174 L CB 0.106 41.695 42.059 -0.783 0.000 0.919 174 L HN 0.208 8.591 8.230 -0.061 -0.190 0.443 175 F N -4.717 115.123 119.950 -0.182 0.000 2.631 175 F HA 0.352 nan 4.527 nan 0.000 0.328 175 F C -1.112 174.423 175.800 -0.442 0.000 1.067 175 F CA -1.839 55.986 58.000 -0.291 0.000 0.969 175 F CB 3.787 42.745 39.000 -0.070 0.000 1.332 175 F HN -0.718 7.744 8.300 0.034 -0.142 0.490 176 H N -0.908 118.095 119.070 -0.110 0.000 2.527 176 H HA 0.165 nan 4.556 nan 0.000 0.321 176 H C -0.627 174.400 175.328 -0.502 0.000 1.087 176 H CA -0.798 55.099 56.048 -0.252 0.000 1.337 176 H CB 1.797 31.577 29.762 0.031 0.000 1.440 176 H HN 0.410 8.688 8.280 -0.004 0.000 0.490 177 H N 5.156 124.043 119.070 -0.304 0.000 2.386 177 H HA 0.182 nan 4.556 nan 0.000 0.232 177 H C -0.883 174.196 175.328 -0.415 0.000 1.416 177 H CA -0.326 55.544 56.048 -0.298 0.000 1.285 177 H CB -0.719 28.838 29.762 -0.342 0.000 1.625 177 H HN 0.598 8.469 8.280 -0.681 0.000 0.521 178 Y N -0.610 119.743 120.300 0.089 0.000 2.481 178 Y HA 0.120 nan 4.550 nan 0.000 0.247 178 Y C -0.350 175.555 175.900 0.009 0.000 1.151 178 Y CA -0.739 57.370 58.100 0.015 0.000 1.238 178 Y CB 0.377 38.814 38.460 -0.037 0.000 1.179 178 Y HN 0.062 8.347 8.280 0.009 0.000 0.524 179 G N -1.939 106.944 108.800 0.138 0.000 2.548 179 G HA2 -0.249 nan 3.960 nan 0.000 0.208 179 G HA3 -0.249 nan 3.960 nan 0.000 0.208 179 G C -1.815 173.112 174.900 0.045 0.000 1.308 179 G CA -0.620 44.529 45.100 0.083 0.000 0.924 179 G HN -0.496 7.875 8.290 0.135 0.000 0.540 180 G N -1.289 107.509 108.800 -0.004 0.000 2.434 180 G HA2 0.540 nan 3.960 nan 0.000 0.330 180 G HA3 0.540 nan 3.960 nan 0.000 0.330 180 G C -1.399 173.423 174.900 -0.129 0.000 1.155 180 G CA -1.630 43.431 45.100 -0.066 0.000 0.917 180 G HN -0.056 8.234 8.290 -0.001 0.000 0.493 181 T N 0.720 115.112 114.554 -0.269 0.000 2.856 181 T HA 0.089 nan 4.350 nan 0.000 0.292 181 T C 0.740 175.199 174.700 -0.401 0.000 0.980 181 T CA -0.601 61.259 62.100 -0.399 0.000 1.091 181 T CB 0.692 69.161 68.868 -0.665 0.000 0.936 181 T HN 0.129 8.178 8.240 -0.317 0.000 0.503 182 D N 6.120 126.388 120.400 -0.220 0.000 2.340 182 D HA 0.063 nan 4.640 nan 0.000 0.217 182 D C 0.593 176.976 176.300 0.138 0.000 1.081 182 D CA -1.400 52.595 54.000 -0.008 0.000 0.842 182 D CB -0.183 40.626 40.800 0.015 0.000 0.934 182 D HN -0.110 8.351 8.370 -0.192 -0.206 0.511 183 F N -3.880 116.018 119.950 -0.087 0.000 3.057 183 F HA -0.458 nan 4.527 nan 0.000 0.287 183 F C 0.085 175.842 175.800 -0.070 0.000 0.834 183 F CA 1.275 59.217 58.000 -0.097 0.000 1.147 183 F CB -2.646 36.295 39.000 -0.098 0.000 1.245 183 F HN -0.200 7.849 8.300 -0.473 -0.032 0.509 184 S N -2.088 113.642 115.700 0.051 0.000 2.371 184 S HA -0.170 nan 4.470 nan 0.000 0.224 184 S C 0.144 174.753 174.600 0.014 0.000 1.029 184 S CA 1.552 59.769 58.200 0.029 0.000 0.978 184 S CB 0.916 64.113 63.200 -0.005 0.000 0.833 184 S HN -0.275 8.227 8.310 -0.008 -0.196 0.466 185 T N -2.772 111.771 114.554 -0.019 0.000 2.838 185 T HA 0.281 nan 4.350 nan 0.000 0.292 185 T C 0.319 174.989 174.700 -0.049 0.000 1.113 185 T CA -1.746 60.339 62.100 -0.024 0.000 1.008 185 T CB 2.970 71.804 68.868 -0.057 0.000 1.259 185 T HN -0.553 7.658 8.240 -0.047 0.000 0.520 186 I N 1.455 122.010 120.570 -0.025 0.000 2.163 186 I HA -0.252 nan 4.170 nan 0.000 0.240 186 I C 2.089 178.107 176.117 -0.164 0.000 1.081 186 I CA 1.631 62.904 61.300 -0.046 0.000 1.353 186 I CB -0.658 37.398 38.000 0.095 0.000 1.054 186 I HN 0.354 8.576 8.210 0.020 0.000 0.407 187 E N -0.454 119.560 120.200 -0.311 0.000 2.086 187 E HA -0.478 nan 4.350 nan 0.000 0.205 187 E C 2.188 178.662 176.600 -0.210 0.000 1.027 187 E CA 3.837 59.925 56.400 -0.519 0.000 0.830 187 E CB -0.491 28.742 29.700 -0.778 0.000 0.751 187 E HN 0.250 8.449 8.360 -0.269 0.000 0.456 188 N N -0.881 117.711 118.700 -0.180 0.000 2.120 188 N HA -0.237 nan 4.740 nan 0.000 0.188 188 N C 2.450 177.834 175.510 -0.212 0.000 1.024 188 N CA 2.765 55.722 53.050 -0.155 0.000 0.852 188 N CB -0.054 38.351 38.487 -0.137 0.000 1.003 188 N HN -0.597 7.673 8.380 -0.184 0.000 0.424 189 G N -0.993 107.659 108.800 -0.248 0.000 2.471 189 G HA2 -0.161 nan 3.960 nan 0.000 0.219 189 G HA3 -0.161 nan 3.960 nan 0.000 0.219 189 G C 0.753 175.465 174.900 -0.313 0.000 1.125 189 G CA 1.407 46.305 45.100 -0.337 0.000 0.775 189 G HN -0.319 7.850 8.290 -0.201 0.000 0.548 190 I N 0.313 120.699 120.570 -0.307 0.000 2.188 190 I HA -0.293 nan 4.170 nan 0.000 0.237 190 I C 1.237 177.103 176.117 -0.419 0.000 1.073 190 I CA 3.227 64.284 61.300 -0.405 0.000 1.359 190 I CB 0.575 38.241 38.000 -0.556 0.000 1.083 190 I HN -0.674 7.234 8.210 -0.280 0.135 0.412 191 Y N -4.429 115.788 120.300 -0.138 0.000 2.519 191 Y HA -0.237 nan 4.550 nan 0.000 0.287 191 Y C 0.014 175.835 175.900 -0.130 0.000 1.128 191 Y CA 1.748 59.698 58.100 -0.251 0.000 1.282 191 Y CB 0.048 38.298 38.460 -0.349 0.000 1.027 191 Y HN -0.713 7.424 8.280 -0.239 0.000 0.551 192 K N -2.785 117.610 120.400 -0.008 0.000 2.168 192 K HA 0.205 nan 4.320 nan 0.000 0.239 192 K C -0.085 176.476 176.600 -0.066 0.000 0.999 192 K CA -1.422 54.873 56.287 0.014 0.000 0.900 192 K CB 1.549 34.016 32.500 -0.054 0.000 1.111 192 K HN -0.784 7.412 8.250 -0.091 0.000 0.452 193 N N -0.114 118.552 118.700 -0.057 0.000 2.518 193 N HA 0.035 nan 4.740 nan 0.000 0.266 193 N C -1.142 174.218 175.510 -0.250 0.000 1.196 193 N CA 0.054 53.036 53.050 -0.114 0.000 0.947 193 N CB 0.443 38.875 38.487 -0.091 0.000 1.098 193 N HN 0.340 8.713 8.380 -0.012 0.000 0.450 194 L N 5.964 127.002 121.223 -0.309 0.000 2.278 194 L HA 0.121 nan 4.340 nan 0.000 0.287 194 L C -0.470 176.162 176.870 -0.396 0.000 1.072 194 L CA -0.227 54.291 54.840 -0.537 0.000 0.819 194 L CB -0.009 41.747 42.059 -0.505 0.000 1.176 194 L HN -0.141 7.950 8.230 -0.232 0.000 0.435 195 Y N 4.021 124.240 120.300 -0.136 0.000 2.864 195 Y HA -0.539 nan 4.550 nan 0.000 0.468 195 Y C -0.220 175.613 175.900 -0.112 0.000 1.175 195 Y CA 1.398 59.440 58.100 -0.096 0.000 2.601 195 Y CB -2.307 36.106 38.460 -0.079 0.000 1.207 195 Y HN 0.152 8.185 8.280 -0.411 0.000 0.627 196 D N -1.082 119.362 120.400 0.075 0.000 2.395 196 D HA 0.004 nan 4.640 nan 0.000 0.213 196 D C -0.433 175.802 176.300 -0.109 0.000 1.110 196 D CA -0.831 53.164 54.000 -0.009 0.000 0.835 196 D CB 0.348 41.183 40.800 0.059 0.000 0.965 196 D HN 0.082 8.534 8.370 0.137 0.000 0.505 197 L N 1.097 122.231 121.223 -0.149 0.000 2.361 197 L HA 0.048 nan 4.340 nan 0.000 0.278 197 L C -0.390 176.320 176.870 -0.267 0.000 1.113 197 L CA -0.543 54.164 54.840 -0.221 0.000 0.849 197 L CB -0.705 41.148 42.059 -0.344 0.000 1.155 197 L HN -0.632 7.452 8.230 -0.115 0.077 0.452 198 A N 7.078 129.666 122.820 -0.387 0.000 2.505 198 A HA -0.180 nan 4.320 nan 0.000 0.271 198 A C -1.310 176.214 177.584 -0.099 0.000 1.112 198 A CA 0.398 52.053 52.037 -0.637 0.000 0.781 198 A CB 0.402 18.854 19.000 -0.913 0.000 1.059 198 A HN 0.528 8.468 8.150 -0.350 0.000 0.508 199 D N 4.721 125.093 120.400 -0.047 0.000 2.317 199 D HA 0.254 nan 4.640 nan 0.000 0.252 199 D C -0.906 175.418 176.300 0.040 0.000 1.174 199 D CA -0.327 53.713 54.000 0.066 0.000 0.866 199 D CB 1.369 42.224 40.800 0.093 0.000 1.127 199 D HN 0.048 8.449 8.370 -0.164 -0.129 0.467 200 L N 3.763 124.908 121.223 -0.130 0.000 2.439 200 L HA 0.072 nan 4.340 nan 0.000 0.269 200 L C -0.588 175.763 176.870 -0.864 0.000 1.179 200 L CA 0.127 54.660 54.840 -0.511 0.000 0.828 200 L CB 0.712 42.418 42.059 -0.587 0.000 1.106 200 L HN -0.095 8.101 8.230 -0.057 0.000 0.467 201 N N 1.703 119.844 118.700 -0.932 0.000 2.527 201 N HA 0.184 nan 4.740 nan 0.000 0.236 201 N C 0.174 175.276 175.510 -0.679 0.000 0.999 201 N CA -1.642 50.863 53.050 -0.908 0.000 0.935 201 N CB 0.522 38.551 38.487 -0.763 0.000 1.132 201 N HN 0.376 8.245 8.380 -0.851 0.000 0.511 202 H N 5.815 124.604 119.070 -0.468 0.000 2.561 202 H HA -0.221 nan 4.556 nan 0.000 0.278 202 H C 0.625 175.793 175.328 -0.267 0.000 1.014 202 H CA 2.410 58.076 56.048 -0.635 0.000 1.211 202 H CB -0.133 28.888 29.762 -1.235 0.000 1.365 202 H HN 0.351 8.282 8.280 -0.581 0.000 0.594 203 N N -1.614 117.076 118.700 -0.016 0.000 2.463 203 N HA -0.127 nan 4.740 nan 0.000 0.181 203 N C -0.807 174.723 175.510 0.033 0.000 1.078 203 N CA 0.502 53.607 53.050 0.091 0.000 0.902 203 N CB 1.023 39.611 38.487 0.168 0.000 0.970 203 N HN -0.491 8.037 8.380 -0.044 -0.175 0.451 204 N N 0.361 119.023 118.700 -0.062 0.000 2.430 204 N HA 0.119 nan 4.740 nan 0.000 0.265 204 N C 0.746 176.240 175.510 -0.027 0.000 1.100 204 N CA -0.209 52.802 53.050 -0.066 0.000 0.961 204 N CB 0.978 39.371 38.487 -0.157 0.000 1.075 204 N HN -0.176 7.949 8.380 -0.148 0.166 0.478 205 S N 6.888 122.599 115.700 0.018 0.000 2.387 205 S HA -0.406 nan 4.470 nan 0.000 0.230 205 S C 1.428 176.053 174.600 0.042 0.000 1.035 205 S CA 3.815 62.047 58.200 0.052 0.000 1.014 205 S CB -0.287 62.945 63.200 0.052 0.000 0.836 205 S HN 0.599 8.923 8.310 0.022 0.000 0.466 206 S N 1.902 117.601 115.700 -0.002 0.000 2.359 206 S HA -0.260 nan 4.470 nan 0.000 0.224 206 S C 1.701 176.300 174.600 -0.003 0.000 1.035 206 S CA 3.137 61.331 58.200 -0.010 0.000 1.018 206 S CB -0.255 62.903 63.200 -0.070 0.000 0.876 206 S HN -0.166 8.131 8.310 -0.021 0.000 0.448 207 V N 2.154 122.018 119.914 -0.083 0.000 2.453 207 V HA -0.334 nan 4.120 nan 0.000 0.247 207 V C 1.458 177.579 176.094 0.045 0.000 1.048 207 V CA 3.678 65.913 62.300 -0.107 0.000 1.049 207 V CB -0.626 30.994 31.823 -0.338 0.000 0.672 207 V HN -0.250 7.774 8.190 -0.117 0.096 0.457 208 D N -0.650 119.800 120.400 0.084 0.000 2.104 208 D HA -0.329 nan 4.640 nan 0.000 0.194 208 D C 1.965 178.456 176.300 0.319 0.000 0.994 208 D CA 3.889 58.076 54.000 0.312 0.000 0.830 208 D CB 0.192 41.193 40.800 0.334 0.000 0.959 208 D HN -0.229 8.149 8.370 0.015 0.000 0.452 209 V N -0.013 120.028 119.914 0.211 0.000 2.323 209 V HA -0.300 nan 4.120 nan 0.000 0.244 209 V C 1.558 177.768 176.094 0.193 0.000 1.041 209 V CA 4.135 66.540 62.300 0.175 0.000 1.025 209 V CB -0.741 31.157 31.823 0.124 0.000 0.656 209 V HN -0.213 8.076 8.190 0.165 0.000 0.451 210 Y N 0.774 121.116 120.300 0.070 0.000 2.207 210 Y HA -0.466 nan 4.550 nan 0.000 0.287 210 Y C 1.507 177.473 175.900 0.110 0.000 1.156 210 Y CA 3.982 62.124 58.100 0.071 0.000 1.182 210 Y CB 0.083 38.559 38.460 0.027 0.000 0.979 210 Y HN -0.209 8.245 8.280 0.290 0.000 0.521 211 L N -1.828 119.474 121.223 0.133 0.000 2.109 211 L HA -0.299 nan 4.340 nan 0.000 0.207 211 L C 1.953 178.998 176.870 0.291 0.000 1.086 211 L CA 2.291 57.197 54.840 0.110 0.000 0.760 211 L CB -0.591 41.591 42.059 0.206 0.000 0.910 211 L HN -0.078 8.293 8.230 0.268 0.019 0.437 212 K N 0.071 120.652 120.400 0.302 0.000 2.057 212 K HA -0.367 nan 4.320 nan 0.000 0.206 212 K C 2.331 178.957 176.600 0.042 0.000 1.050 212 K CA 4.066 60.485 56.287 0.220 0.000 0.935 212 K CB -0.396 32.205 32.500 0.168 0.000 0.715 212 K HN -0.732 7.701 8.250 0.305 0.000 0.439 213 D N -0.390 120.014 120.400 0.007 0.000 2.144 213 D HA -0.234 nan 4.640 nan 0.000 0.199 213 D C 2.150 178.418 176.300 -0.053 0.000 0.984 213 D CA 3.205 57.172 54.000 -0.055 0.000 0.834 213 D CB -0.584 40.194 40.800 -0.036 0.000 0.955 213 D HN -0.106 8.291 8.370 0.045 0.000 0.465 214 A N -0.578 122.219 122.820 -0.038 0.000 1.898 214 A HA -0.188 nan 4.320 nan 0.000 0.216 214 A C 2.096 179.812 177.584 0.221 0.000 1.181 214 A CA 2.880 54.974 52.037 0.094 0.000 0.620 214 A CB -0.397 18.713 19.000 0.184 0.000 0.819 214 A HN -0.192 7.901 8.150 -0.094 0.000 0.442 215 I N -1.375 119.254 120.570 0.098 0.000 2.179 215 I HA -0.490 nan 4.170 nan 0.000 0.242 215 I C 1.367 177.473 176.117 -0.019 0.000 1.088 215 I CA 1.806 63.034 61.300 -0.120 0.000 1.357 215 I CB -0.096 37.774 38.000 -0.215 0.000 1.051 215 I HN -0.238 8.068 8.210 0.161 0.000 0.409 216 K N -0.846 119.514 120.400 -0.066 0.000 2.074 216 K HA -0.459 nan 4.320 nan 0.000 0.209 216 K C 2.536 179.140 176.600 0.007 0.000 1.048 216 K CA 3.736 59.974 56.287 -0.083 0.000 0.926 216 K CB -0.246 32.058 32.500 -0.328 0.000 0.713 216 K HN -0.218 7.981 8.250 -0.084 0.000 0.444 217 M N -3.267 116.306 119.600 -0.046 0.000 2.476 217 M HA -0.195 nan 4.480 nan 0.000 0.262 217 M C 1.854 178.062 176.300 -0.152 0.000 1.079 217 M CA 3.342 58.570 55.300 -0.121 0.000 1.104 217 M CB -0.404 32.051 32.600 -0.242 0.000 1.409 217 M HN -0.350 7.831 8.290 -0.051 0.078 0.467 218 W N -1.128 120.166 121.300 -0.011 0.000 2.658 218 W HA -0.126 nan 4.660 nan 0.000 0.263 218 W C 1.511 178.066 176.519 0.060 0.000 1.274 218 W CA 2.806 60.161 57.345 0.016 0.000 1.343 218 W CB -0.006 29.423 29.460 -0.052 0.000 1.106 218 W HN -0.461 7.720 8.180 0.191 0.113 0.615 219 L N -0.800 120.554 121.223 0.217 0.000 2.109 219 L HA -0.414 nan 4.340 nan 0.000 0.207 219 L C 2.556 179.525 176.870 0.165 0.000 1.086 219 L CA 3.045 57.994 54.840 0.181 0.000 0.760 219 L CB -0.559 41.619 42.059 0.199 0.000 0.910 219 L HN -0.325 7.896 8.230 0.185 0.120 0.437 220 D N -0.711 119.785 120.400 0.161 0.000 2.219 220 D HA -0.190 nan 4.640 nan 0.000 0.205 220 D C 1.558 177.912 176.300 0.090 0.000 0.970 220 D CA 2.699 56.767 54.000 0.113 0.000 0.851 220 D CB -0.205 40.648 40.800 0.089 0.000 0.943 220 D HN 0.203 8.673 8.370 0.168 0.000 0.488 221 L N -2.710 118.584 121.223 0.119 0.000 2.599 221 L HA -0.024 nan 4.340 nan 0.000 0.230 221 L C 0.846 177.819 176.870 0.171 0.000 1.141 221 L CA 0.217 55.153 54.840 0.160 0.000 0.877 221 L CB 0.286 42.511 42.059 0.277 0.000 1.009 221 L HN -0.586 7.611 8.230 0.123 0.106 0.447 222 G N -2.298 106.602 108.800 0.166 0.000 2.132 222 G HA2 -0.347 nan 3.960 nan 0.000 0.228 222 G HA3 -0.347 nan 3.960 nan 0.000 0.228 222 G C -0.733 174.286 174.900 0.198 0.000 1.000 222 G CA -0.224 44.972 45.100 0.160 0.000 0.693 222 G HN -0.607 7.596 8.290 0.166 0.188 0.515 223 V N -4.437 115.618 119.914 0.235 0.000 2.843 223 V HA 0.149 nan 4.120 nan 0.000 0.305 223 V C 0.145 176.374 176.094 0.225 0.000 1.065 223 V CA -0.588 61.854 62.300 0.237 0.000 1.116 223 V CB -0.126 31.864 31.823 0.278 0.000 0.968 223 V HN -0.806 7.544 8.190 0.267 0.000 0.487 224 D N 3.493 124.053 120.400 0.267 0.000 2.392 224 D HA 0.238 nan 4.640 nan 0.000 0.206 224 D C -0.362 176.184 176.300 0.409 0.000 1.046 224 D CA 1.898 56.089 54.000 0.318 0.000 0.865 224 D CB 2.194 43.206 40.800 0.353 0.000 0.969 224 D HN 0.636 9.168 8.370 0.269 0.000 0.509 225 G N -3.376 105.601 108.800 0.294 0.000 2.660 225 G HA2 0.634 nan 3.960 nan 0.000 0.290 225 G HA3 0.634 nan 3.960 nan 0.000 0.290 225 G C -3.244 171.667 174.900 0.018 0.000 1.432 225 G CA 0.115 45.309 45.100 0.157 0.000 0.807 225 G HN -0.580 7.862 8.290 0.252 0.000 0.485 226 I N -1.457 119.035 120.570 -0.130 0.000 2.571 226 I HA 0.406 nan 4.170 nan 0.000 0.289 226 I C -2.318 173.457 176.117 -0.570 0.000 1.115 226 I CA -0.631 60.535 61.300 -0.225 0.000 1.045 226 I CB 4.548 42.461 38.000 -0.145 0.000 1.238 226 I HN 0.067 8.184 8.210 -0.156 0.000 0.424 227 R N 7.437 127.516 120.500 -0.702 0.000 2.198 227 R HA 0.589 nan 4.340 nan 0.000 0.339 227 R C -2.270 173.785 176.300 -0.407 0.000 1.020 227 R CA -1.768 53.646 56.100 -1.143 0.000 0.864 227 R CB 0.963 30.544 30.300 -1.198 0.000 1.105 227 R HN 0.341 8.367 8.270 -0.407 0.000 0.463 228 V N 6.816 126.574 119.914 -0.261 0.000 2.439 228 V HA 0.509 nan 4.120 nan 0.000 0.282 228 V C -2.051 174.075 176.094 0.053 0.000 1.039 228 V CA -3.084 59.235 62.300 0.032 0.000 0.913 228 V CB 2.473 34.410 31.823 0.190 0.000 0.983 228 V HN 0.587 8.544 8.190 -0.390 0.000 0.460 229 D N 8.797 129.270 120.400 0.121 0.000 2.414 229 D HA -0.080 nan 4.640 nan 0.000 0.242 229 D C -0.047 176.311 176.300 0.097 0.000 1.129 229 D CA 0.380 54.474 54.000 0.156 0.000 0.885 229 D CB 1.478 42.413 40.800 0.226 0.000 1.198 229 D HN 0.126 8.581 8.370 0.141 0.000 0.437 230 A N 3.074 125.949 122.820 0.090 0.000 2.466 230 A HA -0.373 nan 4.320 nan 0.000 0.295 230 A C 0.761 178.297 177.584 -0.080 0.000 1.465 230 A CA 0.941 52.982 52.037 0.007 0.000 0.744 230 A CB -1.370 17.643 19.000 0.023 0.000 1.098 230 A HN 0.594 8.825 8.150 0.136 0.000 0.402 231 V N 0.153 120.015 119.914 -0.087 0.000 2.759 231 V HA -0.372 nan 4.120 nan 0.000 0.256 231 V C 1.487 177.295 176.094 -0.477 0.000 1.080 231 V CA 3.355 65.548 62.300 -0.179 0.000 1.101 231 V CB -0.410 31.396 31.823 -0.030 0.000 0.698 231 V HN 0.286 8.471 8.190 -0.009 0.000 0.477 232 K N -1.342 118.673 120.400 -0.643 0.000 2.211 232 K HA -0.242 nan 4.320 nan 0.000 0.203 232 K C 0.800 177.049 176.600 -0.584 0.000 1.050 232 K CA 2.434 58.081 56.287 -1.066 0.000 0.945 232 K CB -0.010 31.777 32.500 -1.188 0.000 0.732 232 K HN -0.411 7.529 8.250 -0.465 0.031 0.451 233 N N -2.397 116.082 118.700 -0.367 0.000 2.279 233 N HA 0.121 nan 4.740 nan 0.000 0.226 233 N C -1.113 174.275 175.510 -0.203 0.000 1.126 233 N CA 0.264 53.154 53.050 -0.267 0.000 0.846 233 N CB 0.715 39.073 38.487 -0.216 0.000 1.050 233 N HN -0.472 7.532 8.380 -0.323 0.182 0.502 234 M N -1.248 118.240 119.600 -0.187 0.000 2.550 234 M HA 0.302 nan 4.480 nan 0.000 0.292 234 M C -3.179 173.092 176.300 -0.048 0.000 1.221 234 M CA -2.675 52.544 55.300 -0.134 0.000 0.873 234 M CB 3.041 35.566 32.600 -0.125 0.000 1.727 234 M HN -0.935 7.149 8.290 -0.219 0.074 0.459 235 P HA 0.072 nan 4.420 nan 0.000 0.263 235 P C -0.012 177.458 177.300 0.282 0.000 1.195 235 P CA -0.182 63.015 63.100 0.161 0.000 0.762 235 P CB 0.189 32.018 31.700 0.215 0.000 0.799 236 F N 6.844 126.925 119.950 0.219 0.000 2.063 236 F HA -0.526 nan 4.527 nan 0.000 0.298 236 F C 1.117 177.039 175.800 0.204 0.000 1.109 236 F CA 4.460 62.657 58.000 0.330 0.000 1.212 236 F CB 0.283 39.484 39.000 0.335 0.000 0.973 236 F HN 0.571 9.146 8.300 0.458 0.000 0.480 237 G N -2.806 106.103 108.800 0.182 0.000 2.440 237 G HA2 -0.465 nan 3.960 nan 0.000 0.218 237 G HA3 -0.465 nan 3.960 nan 0.000 0.218 237 G C 0.494 175.409 174.900 0.027 0.000 1.154 237 G CA 1.786 46.925 45.100 0.065 0.000 0.767 237 G HN 0.292 8.772 8.290 0.316 0.000 0.552 238 W N 2.114 123.408 121.300 -0.011 0.000 2.407 238 W HA -0.241 nan 4.660 nan 0.000 0.305 238 W C 1.504 178.000 176.519 -0.039 0.000 1.196 238 W CA 3.536 60.873 57.345 -0.014 0.000 1.311 238 W CB 0.300 29.736 29.460 -0.040 0.000 1.135 238 W HN -0.607 7.636 8.180 0.296 0.114 0.514 239 Q N -1.990 117.777 119.800 -0.055 0.000 2.291 239 Q HA -0.503 nan 4.340 nan 0.000 0.206 239 Q C 2.453 178.298 176.000 -0.259 0.000 0.976 239 Q CA 3.353 59.069 55.803 -0.145 0.000 0.875 239 Q CB -0.370 28.477 28.738 0.182 0.000 0.927 239 Q HN 0.203 8.580 8.270 0.179 0.000 0.450 240 K N 0.633 120.794 120.400 -0.399 0.000 2.116 240 K HA -0.257 nan 4.320 nan 0.000 0.203 240 K C 2.140 178.554 176.600 -0.310 0.000 1.052 240 K CA 3.238 59.269 56.287 -0.427 0.000 0.952 240 K CB -0.055 32.096 32.500 -0.582 0.000 0.729 240 K HN 0.099 7.988 8.250 -0.407 0.116 0.446 241 S N 0.512 116.022 115.700 -0.316 0.000 2.428 241 S HA -0.240 nan 4.470 nan 0.000 0.230 241 S C 1.908 176.316 174.600 -0.321 0.000 1.014 241 S CA 3.407 61.446 58.200 -0.268 0.000 0.957 241 S CB -0.224 62.847 63.200 -0.215 0.000 0.784 241 S HN -0.488 7.623 8.310 -0.332 0.000 0.499 242 F N 5.183 124.706 119.950 -0.712 0.000 2.113 242 F HA -0.197 nan 4.527 nan 0.000 0.297 242 F C 1.003 176.585 175.800 -0.363 0.000 1.103 242 F CA 3.509 61.118 58.000 -0.652 0.000 1.248 242 F CB 0.143 38.542 39.000 -1.002 0.000 0.999 242 F HN 0.202 8.117 8.300 -0.642 0.000 0.475 243 M N -1.353 118.062 119.600 -0.307 0.000 2.117 243 M HA -0.442 nan 4.480 nan 0.000 0.262 243 M C 2.241 178.376 176.300 -0.275 0.000 1.065 243 M CA 1.164 56.277 55.300 -0.312 0.000 1.114 243 M CB -1.458 31.004 32.600 -0.230 0.000 1.361 243 M HN 0.128 8.117 8.290 -0.213 0.174 0.408 244 A N -1.545 121.137 122.820 -0.230 0.000 1.972 244 A HA -0.323 nan 4.320 nan 0.000 0.219 244 A C 2.161 179.653 177.584 -0.155 0.000 1.169 244 A CA 3.489 55.427 52.037 -0.166 0.000 0.635 244 A CB -0.927 17.991 19.000 -0.137 0.000 0.810 244 A HN 0.322 8.330 8.150 -0.237 0.000 0.446 245 T N 1.983 116.411 114.554 -0.209 0.000 2.708 245 T HA -0.346 nan 4.350 nan 0.000 0.266 245 T C 2.107 176.700 174.700 -0.178 0.000 1.037 245 T CA 4.829 66.816 62.100 -0.189 0.000 1.146 245 T CB -0.440 68.288 68.868 -0.233 0.000 0.865 245 T HN -0.534 7.475 8.240 -0.252 0.080 0.435 246 I N 1.173 121.562 120.570 -0.302 0.000 2.133 246 I HA -0.608 nan 4.170 nan 0.000 0.238 246 I C 1.490 177.559 176.117 -0.079 0.000 1.074 246 I CA 4.258 65.436 61.300 -0.203 0.000 1.342 246 I CB -0.144 37.652 38.000 -0.339 0.000 1.053 246 I HN -0.245 7.694 8.210 -0.452 0.000 0.404 247 N N -0.071 118.568 118.700 -0.103 0.000 2.364 247 N HA -0.258 nan 4.740 nan 0.000 0.183 247 N C 1.527 177.025 175.510 -0.021 0.000 1.022 247 N CA 2.578 55.597 53.050 -0.051 0.000 0.883 247 N CB -0.468 37.983 38.487 -0.060 0.000 0.965 247 N HN 0.200 8.484 8.380 -0.160 0.000 0.438 248 N N -2.578 116.115 118.700 -0.011 0.000 2.336 248 N HA -0.024 nan 4.740 nan 0.000 0.189 248 N C -1.051 174.503 175.510 0.074 0.000 1.113 248 N CA 0.954 54.014 53.050 0.016 0.000 0.858 248 N CB 0.589 39.080 38.487 0.006 0.000 0.970 248 N HN -0.082 8.157 8.380 -0.035 0.120 0.471 249 Y N -0.883 119.377 120.300 -0.067 0.000 2.583 249 Y HA 0.059 nan 4.550 nan 0.000 0.270 249 Y C -0.947 174.928 175.900 -0.042 0.000 1.113 249 Y CA 1.152 59.219 58.100 -0.055 0.000 1.307 249 Y CB 3.271 41.690 38.460 -0.068 0.000 1.369 249 Y HN -0.381 7.801 8.280 0.117 0.168 0.506 250 K N -0.717 119.568 120.400 -0.192 0.000 2.950 250 K HA 0.297 nan 4.320 nan 0.000 0.199 250 K C -2.765 173.799 176.600 -0.060 0.000 1.144 250 K CA -2.296 53.856 56.287 -0.225 0.000 0.983 250 K CB 1.654 33.986 32.500 -0.280 0.000 1.187 250 K HN -0.553 7.729 8.250 0.052 0.000 0.595 251 P HA -0.038 nan 4.420 nan 0.000 0.263 251 P C -1.726 175.600 177.300 0.043 0.000 1.195 251 P CA 0.545 63.647 63.100 0.003 0.000 0.762 251 P CB 0.413 32.121 31.700 0.015 0.000 0.799 252 V N -4.017 115.940 119.914 0.072 0.000 3.102 252 V HA 0.588 nan 4.120 nan 0.000 0.312 252 V C -1.400 174.823 176.094 0.215 0.000 1.135 252 V CA -3.260 59.136 62.300 0.159 0.000 1.022 252 V CB 3.251 35.164 31.823 0.150 0.000 1.056 252 V HN -0.272 7.939 8.190 0.035 0.000 0.436 253 F N 3.602 123.638 119.950 0.143 0.000 2.519 253 F HA 0.068 nan 4.527 nan 0.000 0.375 253 F C -1.292 174.523 175.800 0.025 0.000 1.084 253 F CA 0.795 58.839 58.000 0.073 0.000 1.147 253 F CB 0.806 39.840 39.000 0.056 0.000 1.088 253 F HN 0.266 8.906 8.300 0.567 0.000 0.555 254 T N 4.908 119.286 114.554 -0.294 0.000 2.863 254 T HA 0.773 nan 4.350 nan 0.000 0.285 254 T C -1.962 172.520 174.700 -0.363 0.000 1.009 254 T CA -2.525 59.377 62.100 -0.330 0.000 0.989 254 T CB 2.227 70.985 68.868 -0.183 0.000 1.004 254 T HN -0.251 7.857 8.240 -0.220 0.000 0.455 255 F N -0.867 118.758 119.950 -0.542 0.000 2.613 255 F HA 0.875 nan 4.527 nan 0.000 0.310 255 F C -1.967 173.748 175.800 -0.142 0.000 1.085 255 F CA -2.290 55.477 58.000 -0.388 0.000 0.945 255 F CB 2.717 41.389 39.000 -0.547 0.000 1.298 255 F HN 0.331 8.180 8.300 -0.752 0.000 0.455 256 G N -1.651 107.223 108.800 0.123 0.000 2.537 256 G HA2 0.528 nan 3.960 nan 0.000 0.323 256 G HA3 0.528 nan 3.960 nan 0.000 0.323 256 G C -2.790 172.255 174.900 0.241 0.000 1.207 256 G CA -2.189 42.993 45.100 0.138 0.000 0.976 256 G HN 0.652 9.088 8.290 0.244 0.000 0.487 257 E N 0.046 120.389 120.200 0.239 0.000 2.081 257 E HA 0.337 nan 4.350 nan 0.000 0.276 257 E C -1.609 175.210 176.600 0.366 0.000 0.950 257 E CA -2.031 54.602 56.400 0.389 0.000 0.776 257 E CB 2.347 32.274 29.700 0.378 0.000 1.094 257 E HN 0.109 8.564 8.360 0.158 0.000 0.402 258 W N 7.426 128.872 121.300 0.244 0.000 2.517 258 W HA 0.125 nan 4.660 nan 0.000 0.301 258 W C -2.524 174.052 176.519 0.095 0.000 1.002 258 W CA -2.198 55.235 57.345 0.147 0.000 1.415 258 W CB 1.285 30.812 29.460 0.112 0.000 1.275 258 W HN 0.254 8.847 8.180 0.689 0.000 0.413 259 F N 6.351 126.276 119.950 -0.043 0.000 2.553 259 F HA -0.192 nan 4.527 nan 0.000 0.356 259 F C -2.034 173.596 175.800 -0.282 0.000 1.142 259 F CA 1.228 58.830 58.000 -0.663 0.000 1.322 259 F CB 1.525 40.272 39.000 -0.422 0.000 1.126 259 F HN -0.053 8.377 8.300 0.217 0.000 0.599 260 L N 3.789 124.770 121.223 -0.404 0.000 2.513 260 L HA 0.332 nan 4.340 nan 0.000 0.261 260 L C -1.223 175.678 176.870 0.052 0.000 0.945 260 L CA -0.526 54.300 54.840 -0.024 0.000 0.848 260 L CB 3.906 45.902 42.059 -0.105 0.000 1.334 260 L HN -0.337 7.052 8.230 -1.401 0.000 0.407 261 G N 2.997 111.872 108.800 0.124 0.000 2.557 261 G HA2 0.248 nan 3.960 nan 0.000 0.302 261 G HA3 0.248 nan 3.960 nan 0.000 0.302 261 G C -1.739 173.217 174.900 0.092 0.000 1.311 261 G CA -1.290 43.902 45.100 0.153 0.000 1.030 261 G HN -0.082 8.533 8.290 0.080 -0.277 0.509 262 V N -0.346 119.618 119.914 0.083 0.000 2.673 262 V HA -0.258 nan 4.120 nan 0.000 0.303 262 V C 0.325 176.433 176.094 0.022 0.000 1.046 262 V CA 0.836 63.166 62.300 0.050 0.000 1.126 262 V CB -0.472 31.374 31.823 0.040 0.000 0.934 262 V HN 0.010 8.255 8.190 0.091 0.000 0.487 263 N N 1.789 120.494 118.700 0.008 0.000 2.693 263 N HA -0.430 nan 4.740 nan 0.000 0.249 263 N C -1.235 174.270 175.510 -0.008 0.000 1.119 263 N CA 1.464 54.511 53.050 -0.004 0.000 0.717 263 N CB -0.545 37.938 38.487 -0.007 0.000 1.071 263 N HN 0.487 8.873 8.380 0.010 0.000 0.555 264 E N -0.918 119.273 120.200 -0.014 0.000 2.166 264 E HA 0.232 nan 4.350 nan 0.000 0.275 264 E C -1.531 175.023 176.600 -0.077 0.000 0.941 264 E CA -0.806 55.577 56.400 -0.027 0.000 0.784 264 E CB 1.650 31.344 29.700 -0.010 0.000 1.115 264 E HN -0.663 7.671 8.360 -0.010 0.020 0.399 265 I N 4.005 124.537 120.570 -0.064 0.000 2.500 265 I HA 0.147 nan 4.170 nan 0.000 0.286 265 I C -1.044 175.044 176.117 -0.048 0.000 1.063 265 I CA -0.730 60.517 61.300 -0.090 0.000 1.062 265 I CB 2.195 40.186 38.000 -0.016 0.000 1.223 265 I HN 0.249 8.441 8.210 -0.030 0.000 0.435 266 S N 7.570 123.202 115.700 -0.114 0.000 2.480 266 S HA 0.459 nan 4.470 nan 0.000 0.286 266 S C -0.398 174.220 174.600 0.031 0.000 1.180 266 S CA -4.364 53.825 58.200 -0.018 0.000 1.075 266 S CB 1.433 64.633 63.200 0.001 0.000 0.996 266 S HN 0.153 8.286 8.310 -0.294 0.000 0.487 267 P HA -0.050 nan 4.420 nan 0.000 0.217 267 P C 1.144 178.492 177.300 0.080 0.000 1.151 267 P CA 2.121 65.287 63.100 0.110 0.000 0.828 267 P CB 0.593 32.344 31.700 0.085 0.000 0.788 268 E N -1.577 118.668 120.200 0.074 0.000 2.153 268 E HA -0.290 nan 4.350 nan 0.000 0.194 268 E C 2.241 178.674 176.600 -0.279 0.000 0.988 268 E CA 2.937 59.379 56.400 0.070 0.000 0.811 268 E CB -0.926 28.964 29.700 0.316 0.000 0.746 268 E HN -0.067 8.358 8.360 0.109 0.000 0.466 269 Y N 0.763 120.600 120.300 -0.772 0.000 2.070 269 Y HA -0.489 nan 4.550 nan 0.000 0.280 269 Y C 1.713 177.294 175.900 -0.532 0.000 1.148 269 Y CA 4.217 61.596 58.100 -1.202 0.000 1.125 269 Y CB 0.067 37.906 38.460 -1.034 0.000 0.975 269 Y HN -0.532 7.590 8.280 -0.263 0.000 0.492 270 H N -2.277 116.806 119.070 0.021 0.000 2.423 270 H HA -0.323 nan 4.556 nan 0.000 0.297 270 H C 2.436 177.765 175.328 0.001 0.000 1.075 270 H CA 3.689 59.735 56.048 -0.002 0.000 1.342 270 H CB -0.018 29.723 29.762 -0.034 0.000 1.395 270 H HN -0.620 7.650 8.280 -0.018 0.000 0.530 271 Q N 0.312 120.172 119.800 0.100 0.000 2.084 271 Q HA -0.369 nan 4.340 nan 0.000 0.202 271 Q C 1.964 178.039 176.000 0.126 0.000 0.978 271 Q CA 3.116 58.967 55.803 0.081 0.000 0.844 271 Q CB -0.217 28.548 28.738 0.046 0.000 0.898 271 Q HN 0.094 8.411 8.270 0.077 0.000 0.426 272 F N 0.549 120.504 119.950 0.009 0.000 2.075 272 F HA -0.468 nan 4.527 nan 0.000 0.297 272 F C 1.076 176.965 175.800 0.149 0.000 1.113 272 F CA 3.195 61.308 58.000 0.188 0.000 1.218 272 F CB -0.049 39.046 39.000 0.159 0.000 0.984 272 F HN -0.177 8.206 8.300 0.138 0.000 0.472 273 A N -2.094 120.789 122.820 0.106 0.000 1.908 273 A HA -0.418 nan 4.320 nan 0.000 0.218 273 A C 2.148 179.767 177.584 0.059 0.000 1.181 273 A CA 3.277 55.357 52.037 0.073 0.000 0.627 273 A CB -0.814 18.292 19.000 0.176 0.000 0.818 273 A HN -0.093 8.110 8.150 0.089 0.000 0.445 274 N N -3.520 115.238 118.700 0.097 0.000 2.409 274 N HA -0.101 nan 4.740 nan 0.000 0.179 274 N C 1.382 176.928 175.510 0.060 0.000 1.032 274 N CA 2.081 55.184 53.050 0.090 0.000 0.898 274 N CB 0.402 38.949 38.487 0.101 0.000 0.971 274 N HN -0.189 8.255 8.380 0.119 0.007 0.441 275 E N -3.149 117.094 120.200 0.071 0.000 2.572 275 E HA 0.229 nan 4.350 nan 0.000 0.220 275 E C 0.171 176.844 176.600 0.121 0.000 0.945 275 E CA 0.278 56.761 56.400 0.137 0.000 1.070 275 E CB 1.702 31.535 29.700 0.222 0.000 1.090 275 E HN -0.266 7.996 8.360 0.069 0.140 0.506 276 S N -1.757 113.861 115.700 -0.137 0.000 2.414 276 S HA -0.144 nan 4.470 nan 0.000 0.227 276 S C 1.002 175.382 174.600 -0.367 0.000 1.022 276 S CA 2.374 60.273 58.200 -0.501 0.000 0.958 276 S CB 1.054 63.525 63.200 -1.215 0.000 0.797 276 S HN 0.168 8.355 8.310 -0.205 0.000 0.493 277 G N 0.858 109.515 108.800 -0.239 0.000 2.195 277 G HA2 -0.188 nan 3.960 nan 0.000 0.224 277 G HA3 -0.188 nan 3.960 nan 0.000 0.224 277 G C -1.386 173.425 174.900 -0.149 0.000 0.990 277 G CA -0.170 44.824 45.100 -0.176 0.000 0.639 277 G HN 0.019 8.188 8.290 -0.203 0.000 0.514 278 M N -2.748 116.742 119.600 -0.182 0.000 2.716 278 M HA 0.690 nan 4.480 nan 0.000 0.307 278 M C -1.900 174.360 176.300 -0.066 0.000 1.223 278 M CA -1.301 53.934 55.300 -0.108 0.000 0.871 278 M CB 3.422 35.992 32.600 -0.051 0.000 1.739 278 M HN -0.555 7.509 8.290 -0.286 0.054 0.475 279 S N -1.484 114.195 115.700 -0.035 0.000 2.505 279 S HA 0.418 nan 4.470 nan 0.000 0.273 279 S C -1.465 173.191 174.600 0.093 0.000 1.123 279 S CA -1.548 56.659 58.200 0.011 0.000 1.006 279 S CB 1.890 65.085 63.200 -0.008 0.000 1.243 279 S HN -0.047 8.204 8.310 -0.100 0.000 0.498 280 L N -2.149 119.121 121.223 0.077 0.000 2.518 280 L HA 0.590 nan 4.340 nan 0.000 0.257 280 L C -1.782 175.192 176.870 0.174 0.000 0.980 280 L CA -0.541 54.400 54.840 0.169 0.000 0.837 280 L CB 4.343 46.428 42.059 0.044 0.000 1.410 280 L HN 0.056 8.281 8.230 -0.008 0.000 0.410 281 L N 1.502 122.925 121.223 0.333 0.000 2.453 281 L HA -0.032 nan 4.340 nan 0.000 0.272 281 L C -0.657 176.441 176.870 0.380 0.000 1.182 281 L CA 0.965 55.997 54.840 0.320 0.000 0.858 281 L CB 0.608 42.859 42.059 0.320 0.000 1.120 281 L HN 0.384 8.854 8.230 0.401 0.000 0.474 282 D N 4.352 124.932 120.400 0.300 0.000 2.518 282 D HA 0.151 nan 4.640 nan 0.000 0.230 282 D C 0.061 176.503 176.300 0.236 0.000 1.138 282 D CA -1.947 52.244 54.000 0.318 0.000 0.964 282 D CB -0.617 40.230 40.800 0.078 0.000 1.011 282 D HN 0.482 9.035 8.370 0.305 0.000 0.517 283 F N 5.155 125.373 119.950 0.447 0.000 2.186 283 F HA -0.326 nan 4.527 nan 0.000 0.299 283 F C 1.321 177.180 175.800 0.099 0.000 1.090 283 F CA 3.916 62.054 58.000 0.230 0.000 1.307 283 F CB 0.284 39.418 39.000 0.222 0.000 1.019 283 F HN -0.238 8.542 8.300 0.861 0.037 0.489 284 R N -0.531 120.150 120.500 0.302 0.000 2.096 284 R HA -0.465 nan 4.340 nan 0.000 0.240 284 R C 2.047 178.470 176.300 0.206 0.000 1.139 284 R CA 3.696 59.904 56.100 0.180 0.000 0.952 284 R CB -0.364 30.070 30.300 0.223 0.000 0.854 284 R HN -0.598 7.927 8.270 0.425 0.000 0.436 285 F N -0.536 119.480 119.950 0.110 0.000 2.084 285 F HA -0.338 nan 4.527 nan 0.000 0.296 285 F C 0.834 176.614 175.800 -0.034 0.000 1.111 285 F CA 3.325 61.361 58.000 0.059 0.000 1.224 285 F CB 0.076 39.090 39.000 0.023 0.000 0.991 285 F HN -0.481 8.202 8.300 0.438 -0.120 0.471 286 A N -1.865 120.985 122.820 0.050 0.000 1.933 286 A HA -0.364 nan 4.320 nan 0.000 0.218 286 A C 2.323 179.866 177.584 -0.069 0.000 1.175 286 A CA 3.284 55.189 52.037 -0.220 0.000 0.628 286 A CB -0.921 17.450 19.000 -1.048 0.000 0.814 286 A HN 0.110 8.263 8.150 0.004 0.000 0.444 287 Q N -1.601 118.200 119.800 0.002 0.000 2.049 287 Q HA -0.262 nan 4.340 nan 0.000 0.198 287 Q C 2.644 178.647 176.000 0.005 0.000 0.971 287 Q CA 2.693 58.527 55.803 0.051 0.000 0.833 287 Q CB -0.277 28.516 28.738 0.091 0.000 0.896 287 Q HN 0.183 8.450 8.270 0.024 0.018 0.434 288 K N 0.223 120.601 120.400 -0.036 0.000 2.097 288 K HA -0.281 nan 4.320 nan 0.000 0.206 288 K C 1.984 178.510 176.600 -0.124 0.000 1.049 288 K CA 2.188 58.422 56.287 -0.088 0.000 0.933 288 K CB -0.487 31.950 32.500 -0.106 0.000 0.717 288 K HN -0.530 7.707 8.250 -0.021 0.000 0.442 289 A N -1.003 121.740 122.820 -0.128 0.000 1.883 289 A HA -0.301 nan 4.320 nan 0.000 0.217 289 A C 2.249 179.975 177.584 0.238 0.000 1.186 289 A CA 3.269 55.324 52.037 0.029 0.000 0.624 289 A CB -0.764 18.275 19.000 0.066 0.000 0.822 289 A HN 0.241 8.277 8.150 -0.190 0.000 0.444 290 R N -2.086 118.541 120.500 0.213 0.000 2.096 290 R HA -0.409 nan 4.340 nan 0.000 0.235 290 R C 2.565 178.872 176.300 0.012 0.000 1.127 290 R CA 3.790 59.990 56.100 0.167 0.000 0.968 290 R CB -0.212 30.138 30.300 0.084 0.000 0.861 290 R HN -0.128 8.230 8.270 0.147 0.000 0.440 291 Q N -0.577 119.207 119.800 -0.026 0.000 2.084 291 Q HA -0.306 nan 4.340 nan 0.000 0.202 291 Q C 2.836 178.761 176.000 -0.125 0.000 0.978 291 Q CA 3.442 59.201 55.803 -0.073 0.000 0.844 291 Q CB -0.064 28.628 28.738 -0.077 0.000 0.898 291 Q HN -0.229 7.955 8.270 -0.015 0.077 0.426 292 V N -0.420 119.367 119.914 -0.212 0.000 2.379 292 V HA -0.226 nan 4.120 nan 0.000 0.243 292 V C 1.890 177.721 176.094 -0.437 0.000 1.035 292 V CA 4.381 66.427 62.300 -0.423 0.000 1.035 292 V CB -0.285 31.107 31.823 -0.719 0.000 0.673 292 V HN -0.234 7.844 8.190 -0.186 0.000 0.457 293 F N -4.417 115.552 119.950 0.032 0.000 2.714 293 F HA 0.114 nan 4.527 nan 0.000 0.294 293 F C 0.961 176.864 175.800 0.172 0.000 1.120 293 F CA 2.262 60.349 58.000 0.145 0.000 1.398 293 F CB 0.610 39.767 39.000 0.263 0.000 1.120 293 F HN 0.145 8.467 8.300 0.037 0.000 0.589 294 R N -1.219 119.355 120.500 0.122 0.000 2.064 294 R HA 0.019 nan 4.340 nan 0.000 0.210 294 R C 0.592 176.807 176.300 -0.142 0.000 1.221 294 R CA 1.500 57.459 56.100 -0.234 0.000 1.055 294 R CB 1.712 31.488 30.300 -0.873 0.000 0.946 294 R HN -0.411 7.818 8.270 0.102 0.102 0.459 295 D N -2.475 117.847 120.400 -0.131 0.000 2.354 295 D HA 0.029 nan 4.640 nan 0.000 0.209 295 D C 0.157 176.418 176.300 -0.066 0.000 1.015 295 D CA 0.395 54.338 54.000 -0.094 0.000 0.867 295 D CB 0.184 40.931 40.800 -0.088 0.000 0.933 295 D HN -0.100 8.191 8.370 -0.131 0.000 0.520 296 N N -1.550 117.109 118.700 -0.067 0.000 2.738 296 N HA -0.274 nan 4.740 nan 0.000 0.249 296 N C -0.358 175.117 175.510 -0.058 0.000 1.047 296 N CA 0.645 53.657 53.050 -0.064 0.000 0.707 296 N CB -0.919 37.544 38.487 -0.040 0.000 0.937 296 N HN -0.116 8.218 8.380 -0.076 0.000 0.545 297 T N -5.939 108.576 114.554 -0.065 0.000 3.182 297 T HA 0.218 nan 4.350 nan 0.000 0.277 297 T C -1.099 173.565 174.700 -0.059 0.000 1.013 297 T CA -1.203 60.866 62.100 -0.053 0.000 0.900 297 T CB 0.655 69.497 68.868 -0.044 0.000 1.098 297 T HN -0.123 8.072 8.240 -0.076 0.000 0.543 298 D N -0.337 120.015 120.400 -0.080 0.000 2.713 298 D HA 0.191 nan 4.640 nan 0.000 0.306 298 D C -2.652 173.581 176.300 -0.111 0.000 1.299 298 D CA -0.634 53.315 54.000 -0.084 0.000 0.823 298 D CB 2.933 43.676 40.800 -0.095 0.000 1.353 298 D HN -0.587 7.661 8.370 -0.093 0.066 0.447 299 N N -3.248 115.393 118.700 -0.098 0.000 3.167 299 N HA 0.482 nan 4.740 nan 0.000 0.323 299 N C 1.074 176.491 175.510 -0.156 0.000 1.478 299 N CA -0.918 52.065 53.050 -0.113 0.000 0.753 299 N CB 1.761 40.238 38.487 -0.018 0.000 1.721 299 N HN -0.189 8.150 8.380 -0.069 0.000 0.618 300 M N -1.487 117.996 119.600 -0.194 0.000 2.267 300 M HA -0.272 nan 4.480 nan 0.000 0.263 300 M C 2.068 178.203 176.300 -0.275 0.000 1.063 300 M CA 2.319 57.450 55.300 -0.281 0.000 1.090 300 M CB -0.744 31.661 32.600 -0.325 0.000 1.392 300 M HN 0.217 8.408 8.290 -0.165 0.000 0.422 301 Y N -2.041 118.201 120.300 -0.097 0.000 2.439 301 Y HA -0.293 nan 4.550 nan 0.000 0.292 301 Y C 2.233 178.085 175.900 -0.080 0.000 1.130 301 Y CA 3.204 61.258 58.100 -0.077 0.000 1.254 301 Y CB -0.932 37.486 38.460 -0.070 0.000 1.000 301 Y HN -0.192 8.336 8.280 0.055 -0.216 0.554 302 G N -0.247 108.572 108.800 0.030 0.000 2.394 302 G HA2 -0.336 nan 3.960 nan 0.000 0.214 302 G HA3 -0.336 nan 3.960 nan 0.000 0.214 302 G C 0.585 175.440 174.900 -0.075 0.000 1.176 302 G CA 1.634 46.718 45.100 -0.026 0.000 0.786 302 G HN -0.153 8.163 8.290 0.020 -0.015 0.533 303 L N 2.028 123.160 121.223 -0.152 0.000 1.989 303 L HA -0.352 nan 4.340 nan 0.000 0.211 303 L C 1.268 178.072 176.870 -0.110 0.000 1.071 303 L CA 2.729 57.449 54.840 -0.201 0.000 0.749 303 L CB -0.303 41.545 42.059 -0.350 0.000 0.890 303 L HN -0.563 7.560 8.230 -0.178 0.000 0.431 304 K N -1.063 119.282 120.400 -0.092 0.000 2.059 304 K HA -0.509 nan 4.320 nan 0.000 0.212 304 K C 1.914 178.519 176.600 0.008 0.000 1.050 304 K CA 3.644 59.912 56.287 -0.032 0.000 0.927 304 K CB -0.158 32.325 32.500 -0.028 0.000 0.714 304 K HN 0.214 8.387 8.250 -0.130 0.000 0.447 305 A N -1.402 121.427 122.820 0.014 0.000 1.930 305 A HA -0.214 nan 4.320 nan 0.000 0.217 305 A C 2.363 179.959 177.584 0.021 0.000 1.175 305 A CA 2.930 54.981 52.037 0.023 0.000 0.627 305 A CB -0.837 18.176 19.000 0.021 0.000 0.815 305 A HN -0.059 7.911 8.150 0.010 0.186 0.443 306 M N -0.132 119.476 119.600 0.013 0.000 2.099 306 M HA -0.277 nan 4.480 nan 0.000 0.262 306 M C 2.214 178.566 176.300 0.086 0.000 1.067 306 M CA 2.964 58.288 55.300 0.040 0.000 1.124 306 M CB -0.253 32.355 32.600 0.014 0.000 1.353 306 M HN -0.170 8.033 8.290 -0.010 0.081 0.410 307 L N -0.990 120.279 121.223 0.078 0.000 2.017 307 L HA -0.397 nan 4.340 nan 0.000 0.208 307 L C 2.376 179.297 176.870 0.086 0.000 1.073 307 L CA 2.907 57.811 54.840 0.106 0.000 0.745 307 L CB -1.571 40.527 42.059 0.065 0.000 0.894 307 L HN 0.180 8.433 8.230 0.039 0.000 0.432 308 E N -1.336 118.899 120.200 0.058 0.000 2.051 308 E HA -0.365 nan 4.350 nan 0.000 0.192 308 E C 2.896 179.522 176.600 0.043 0.000 0.991 308 E CA 3.071 59.501 56.400 0.050 0.000 0.799 308 E CB -0.189 29.538 29.700 0.045 0.000 0.748 308 E HN -0.075 8.314 8.360 0.049 0.000 0.449 309 G N -2.298 106.523 108.800 0.034 0.000 2.403 309 G HA2 -0.217 nan 3.960 nan 0.000 0.216 309 G HA3 -0.217 nan 3.960 nan 0.000 0.216 309 G C 1.334 176.230 174.900 -0.007 0.000 1.154 309 G CA 1.747 46.848 45.100 0.002 0.000 0.784 309 G HN 0.109 8.422 8.290 0.038 0.000 0.538 310 S N 1.648 117.392 115.700 0.074 0.000 2.423 310 S HA -0.306 nan 4.470 nan 0.000 0.231 310 S C 1.740 176.473 174.600 0.223 0.000 1.014 310 S CA 3.865 62.161 58.200 0.159 0.000 0.965 310 S CB -0.328 63.117 63.200 0.407 0.000 0.785 310 S HN 0.180 8.553 8.310 0.106 0.000 0.495 311 E N 0.852 121.142 120.200 0.151 0.000 2.153 311 E HA -0.188 nan 4.350 nan 0.000 0.194 311 E C 1.146 177.791 176.600 0.074 0.000 0.988 311 E CA 2.650 59.122 56.400 0.119 0.000 0.811 311 E CB 0.237 29.982 29.700 0.075 0.000 0.746 311 E HN -0.504 7.922 8.360 0.128 0.011 0.466 312 V N -7.547 112.382 119.914 0.025 0.000 3.125 312 V HA 0.067 nan 4.120 nan 0.000 0.249 312 V C 1.135 177.198 176.094 -0.052 0.000 1.113 312 V CA 1.556 63.852 62.300 -0.007 0.000 1.106 312 V CB -0.112 31.700 31.823 -0.019 0.000 0.768 312 V HN -0.676 7.407 8.190 0.014 0.115 0.468 313 D N 0.561 120.875 120.400 -0.144 0.000 2.137 313 D HA -0.075 nan 4.640 nan 0.000 0.202 313 D C 0.407 176.570 176.300 -0.228 0.000 0.970 313 D CA 2.591 56.388 54.000 -0.338 0.000 0.837 313 D CB 0.708 41.041 40.800 -0.778 0.000 0.981 313 D HN -0.380 7.912 8.370 -0.130 0.000 0.475 314 Y N -0.378 119.913 120.300 -0.015 0.000 2.486 314 Y HA -0.201 nan 4.550 nan 0.000 0.348 314 Y C -0.161 175.760 175.900 0.035 0.000 1.000 314 Y CA -0.168 57.988 58.100 0.093 0.000 1.253 314 Y CB -1.032 37.509 38.460 0.134 0.000 1.140 314 Y HN -0.409 7.906 8.280 0.059 0.000 0.526 315 A N 6.697 129.631 122.820 0.191 0.000 1.940 315 A HA -0.252 nan 4.320 nan 0.000 0.219 315 A C 0.236 177.846 177.584 0.044 0.000 1.176 315 A CA 2.223 54.309 52.037 0.082 0.000 0.631 315 A CB 0.147 19.187 19.000 0.068 0.000 0.814 315 A HN 0.363 9.011 8.150 0.221 -0.366 0.446 316 Q N -3.410 116.448 119.800 0.096 0.000 2.798 316 Q HA 0.250 nan 4.340 nan 0.000 0.250 316 Q C 0.095 176.136 176.000 0.068 0.000 1.006 316 Q CA -1.253 54.593 55.803 0.073 0.000 0.759 316 Q CB 0.461 29.288 28.738 0.148 0.000 1.201 316 Q HN -0.241 8.121 8.270 0.152 0.000 0.486 317 V N 3.708 123.660 119.914 0.063 0.000 2.594 317 V HA -0.422 nan 4.120 nan 0.000 0.253 317 V C 0.228 176.287 176.094 -0.059 0.000 1.069 317 V CA 2.936 65.226 62.300 -0.018 0.000 1.082 317 V CB 0.041 31.911 31.823 0.078 0.000 0.680 317 V HN 0.272 8.511 8.190 0.081 0.000 0.469 318 N N -2.356 116.361 118.700 0.027 0.000 2.453 318 N HA -0.225 nan 4.740 nan 0.000 0.183 318 N C 1.505 177.013 175.510 -0.003 0.000 1.041 318 N CA 2.491 55.555 53.050 0.023 0.000 0.900 318 N CB -0.689 37.876 38.487 0.131 0.000 0.961 318 N HN 0.207 8.604 8.380 0.079 0.030 0.443 319 D N -0.928 119.493 120.400 0.035 0.000 2.339 319 D HA 0.136 nan 4.640 nan 0.000 0.217 319 D C -0.817 175.508 176.300 0.041 0.000 1.050 319 D CA 0.390 54.459 54.000 0.115 0.000 0.856 319 D CB 0.286 41.219 40.800 0.222 0.000 0.922 319 D HN -0.579 7.769 8.370 0.042 0.047 0.518 320 Q N -1.424 118.284 119.800 -0.155 0.000 2.261 320 Q HA 0.300 nan 4.340 nan 0.000 0.252 320 Q C -0.544 175.310 176.000 -0.243 0.000 0.915 320 Q CA -1.205 54.444 55.803 -0.257 0.000 0.915 320 Q CB 0.802 29.237 28.738 -0.505 0.000 1.204 320 Q HN -0.527 7.576 8.270 -0.184 0.057 0.421 321 V N 5.060 124.828 119.914 -0.244 0.000 2.385 321 V HA 0.388 nan 4.120 nan 0.000 0.269 321 V C -1.023 175.010 176.094 -0.102 0.000 1.043 321 V CA -0.553 61.586 62.300 -0.269 0.000 0.906 321 V CB -0.641 30.824 31.823 -0.597 0.000 0.995 321 V HN 0.268 8.336 8.190 -0.203 0.000 0.467 322 T N 2.664 117.099 114.554 -0.199 0.000 2.943 322 T HA 0.855 nan 4.350 nan 0.000 0.284 322 T C -1.777 172.947 174.700 0.039 0.000 1.015 322 T CA -2.848 59.055 62.100 -0.329 0.000 1.042 322 T CB 1.917 70.156 68.868 -1.048 0.000 1.055 322 T HN 0.127 8.115 8.240 -0.241 0.107 0.500 323 F N -2.516 117.414 119.950 -0.033 0.000 2.807 323 F HA 0.486 nan 4.527 nan 0.000 0.316 323 F C -1.925 173.994 175.800 0.200 0.000 1.162 323 F CA -0.432 57.609 58.000 0.068 0.000 0.910 323 F CB 2.069 41.102 39.000 0.054 0.000 1.314 323 F HN -0.008 8.098 8.300 -0.323 0.000 0.454 324 I N -7.130 113.587 120.570 0.245 0.000 4.288 324 I HA 0.337 nan 4.170 nan 0.000 0.331 324 I C -1.707 174.668 176.117 0.430 0.000 1.322 324 I CA -0.213 61.230 61.300 0.238 0.000 1.149 324 I CB 2.072 40.113 38.000 0.068 0.000 1.112 324 I HN 0.532 8.933 8.210 0.319 0.000 0.403 325 D N -2.342 118.366 120.400 0.514 0.000 2.671 325 D HA 0.051 nan 4.640 nan 0.000 0.273 325 D C -2.430 173.961 176.300 0.152 0.000 1.264 325 D CA -0.992 53.249 54.000 0.401 0.000 0.788 325 D CB 2.689 43.693 40.800 0.339 0.000 1.324 325 D HN -0.497 8.200 8.370 0.545 0.000 0.424 326 N N -3.886 114.690 118.700 -0.206 0.000 3.449 326 N HA 0.122 nan 4.740 nan 0.000 0.312 326 N C 0.995 175.990 175.510 -0.859 0.000 1.582 326 N CA -0.853 51.737 53.050 -0.766 0.000 0.850 326 N CB 1.676 39.947 38.487 -0.361 0.000 1.822 326 N HN -0.001 8.331 8.380 -0.080 0.000 0.577 327 H N -4.228 114.357 119.070 -0.808 0.000 2.561 327 H HA -0.050 nan 4.556 nan 0.000 0.278 327 H C -0.006 175.327 175.328 0.007 0.000 1.014 327 H CA 1.566 57.470 56.048 -0.240 0.000 1.211 327 H CB -0.394 29.439 29.762 0.118 0.000 1.365 327 H HN 0.405 8.496 8.280 -0.316 0.000 0.594 328 D N -0.308 119.909 120.400 -0.306 0.000 2.395 328 D HA 0.144 nan 4.640 nan 0.000 0.213 328 D C -1.008 175.382 176.300 0.150 0.000 1.110 328 D CA 0.272 54.243 54.000 -0.048 0.000 0.835 328 D CB 0.271 41.189 40.800 0.196 0.000 0.965 328 D HN 0.070 8.612 8.370 -0.250 -0.323 0.505 329 M N -3.679 115.985 119.600 0.106 0.000 2.618 329 M HA 0.293 nan 4.480 nan 0.000 0.281 329 M C -1.546 174.810 176.300 0.093 0.000 1.267 329 M CA -1.474 53.916 55.300 0.149 0.000 0.845 329 M CB 3.061 35.802 32.600 0.236 0.000 1.732 329 M HN -0.760 7.476 8.290 0.012 0.062 0.461 330 E N -1.256 118.998 120.200 0.090 0.000 2.437 330 E HA -0.114 nan 4.350 nan 0.000 0.263 330 E C -0.324 176.342 176.600 0.111 0.000 1.030 330 E CA 0.897 57.343 56.400 0.076 0.000 0.934 330 E CB 0.340 30.067 29.700 0.045 0.000 0.943 330 E HN 0.289 8.706 8.360 0.095 0.000 0.444 331 R N 1.213 121.790 120.500 0.128 0.000 2.543 331 R HA -0.055 nan 4.340 nan 0.000 0.277 331 R C 1.038 177.465 176.300 0.213 0.000 1.074 331 R CA 0.194 56.413 56.100 0.200 0.000 1.076 331 R CB 0.641 31.057 30.300 0.194 0.000 0.993 331 R HN 0.119 8.451 8.270 0.103 0.000 0.459 332 F N 4.024 124.064 119.950 0.150 0.000 2.095 332 F HA -0.371 nan 4.527 nan 0.000 0.298 332 F C 0.482 176.385 175.800 0.172 0.000 1.104 332 F CA 3.712 61.804 58.000 0.154 0.000 1.232 332 F CB 0.675 39.776 39.000 0.167 0.000 0.987 332 F HN 0.136 9.046 8.300 0.453 -0.337 0.475 333 H N -0.451 118.849 119.070 0.384 0.000 2.848 333 H HA -0.006 nan 4.556 nan 0.000 0.317 333 H C -1.215 174.207 175.328 0.157 0.000 1.046 333 H CA 0.430 56.653 56.048 0.291 0.000 1.470 333 H CB 1.005 30.949 29.762 0.302 0.000 1.483 333 H HN -0.097 8.503 8.280 0.533 0.000 0.548 334 T N 6.571 120.892 114.554 -0.389 0.000 2.909 334 T HA 0.116 nan 4.350 nan 0.000 0.289 334 T C -0.459 173.960 174.700 -0.468 0.000 1.005 334 T CA -0.379 61.537 62.100 -0.306 0.000 1.084 334 T CB 1.562 70.308 68.868 -0.202 0.000 0.975 334 T HN 0.160 8.188 8.240 -0.353 0.000 0.509 335 S N 3.061 118.647 115.700 -0.189 0.000 2.525 335 S HA -0.107 nan 4.470 nan 0.000 0.285 335 S C 0.245 174.788 174.600 -0.095 0.000 1.283 335 S CA 1.323 59.465 58.200 -0.096 0.000 1.072 335 S CB 0.181 63.365 63.200 -0.026 0.000 0.867 335 S HN 0.399 8.640 8.310 -0.115 0.000 0.492 336 N N 4.125 122.803 118.700 -0.036 0.000 2.721 336 N HA -0.197 nan 4.740 nan 0.000 0.249 336 N C -0.890 174.602 175.510 -0.030 0.000 1.072 336 N CA 1.152 54.201 53.050 -0.003 0.000 0.710 336 N CB -0.550 37.937 38.487 0.000 0.000 0.993 336 N HN 0.480 8.879 8.380 0.031 0.000 0.547 337 G N -2.061 106.670 108.800 -0.115 0.000 2.491 337 G HA2 0.127 nan 3.960 nan 0.000 0.327 337 G HA3 0.127 nan 3.960 nan 0.000 0.327 337 G C -1.733 173.238 174.900 0.118 0.000 1.189 337 G CA -1.376 43.681 45.100 -0.072 0.000 0.956 337 G HN -0.670 7.417 8.290 -0.272 0.040 0.491 338 D N 0.490 120.975 120.400 0.142 0.000 2.382 338 D HA -0.060 nan 4.640 nan 0.000 0.259 338 D C 1.065 177.546 176.300 0.301 0.000 1.224 338 D CA 0.217 54.329 54.000 0.187 0.000 0.894 338 D CB 0.059 40.943 40.800 0.140 0.000 1.127 338 D HN 0.119 8.544 8.370 0.091 0.000 0.487 339 R N 5.368 126.005 120.500 0.227 0.000 2.105 339 R HA -0.356 nan 4.340 nan 0.000 0.239 339 R C 2.024 178.463 176.300 0.232 0.000 1.135 339 R CA 3.434 59.626 56.100 0.154 0.000 0.967 339 R CB -0.035 30.139 30.300 -0.210 0.000 0.861 339 R HN 0.462 8.819 8.270 0.145 0.000 0.442 340 R N -1.689 118.911 120.500 0.166 0.000 2.249 340 R HA -0.292 nan 4.340 nan 0.000 0.230 340 R C 2.300 178.707 176.300 0.178 0.000 1.121 340 R CA 2.860 59.050 56.100 0.149 0.000 0.997 340 R CB -0.444 29.926 30.300 0.117 0.000 0.867 340 R HN -0.311 8.158 8.270 0.128 -0.122 0.465 341 K N 0.045 120.598 120.400 0.255 0.000 2.116 341 K HA -0.214 nan 4.320 nan 0.000 0.203 341 K C 1.762 178.535 176.600 0.290 0.000 1.052 341 K CA 3.049 59.533 56.287 0.329 0.000 0.952 341 K CB -0.168 32.587 32.500 0.425 0.000 0.729 341 K HN -0.369 7.893 8.250 0.278 0.155 0.446 342 L N 0.421 121.823 121.223 0.299 0.000 2.017 342 L HA -0.394 nan 4.340 nan 0.000 0.208 342 L C 1.602 178.428 176.870 -0.074 0.000 1.073 342 L CA 3.340 58.221 54.840 0.069 0.000 0.745 342 L CB -0.294 41.887 42.059 0.203 0.000 0.894 342 L HN -0.320 8.045 8.230 0.376 0.091 0.432 343 E N -1.741 118.485 120.200 0.043 0.000 2.058 343 E HA -0.504 nan 4.350 nan 0.000 0.194 343 E C 2.148 178.710 176.600 -0.063 0.000 0.997 343 E CA 3.658 60.061 56.400 0.005 0.000 0.801 343 E CB -0.506 29.243 29.700 0.082 0.000 0.746 343 E HN -0.157 8.292 8.360 0.150 0.000 0.450 344 Q N -0.125 119.639 119.800 -0.060 0.000 2.061 344 Q HA -0.340 nan 4.340 nan 0.000 0.204 344 Q C 2.383 178.166 176.000 -0.362 0.000 0.984 344 Q CA 3.093 58.810 55.803 -0.143 0.000 0.846 344 Q CB -0.062 28.645 28.738 -0.051 0.000 0.902 344 Q HN -0.408 7.867 8.270 0.009 0.000 0.421 345 A N -0.286 122.247 122.820 -0.478 0.000 1.930 345 A HA -0.242 nan 4.320 nan 0.000 0.217 345 A C 2.301 179.713 177.584 -0.287 0.000 1.175 345 A CA 2.971 54.664 52.037 -0.572 0.000 0.627 345 A CB -0.693 17.929 19.000 -0.629 0.000 0.815 345 A HN 0.046 8.001 8.150 -0.326 0.000 0.443 346 L N -0.974 120.094 121.223 -0.259 0.000 2.017 346 L HA -0.310 nan 4.340 nan 0.000 0.208 346 L C 2.025 178.826 176.870 -0.115 0.000 1.073 346 L CA 2.059 56.800 54.840 -0.165 0.000 0.745 346 L CB -1.204 40.763 42.059 -0.152 0.000 0.894 346 L HN 0.276 8.233 8.230 -0.282 0.104 0.432 347 A N -0.770 121.987 122.820 -0.105 0.000 1.969 347 A HA -0.280 nan 4.320 nan 0.000 0.218 347 A C 1.925 179.498 177.584 -0.018 0.000 1.169 347 A CA 3.030 55.025 52.037 -0.070 0.000 0.635 347 A CB -1.025 17.936 19.000 -0.066 0.000 0.810 347 A HN 0.244 8.321 8.150 -0.122 0.000 0.445 348 F N -0.648 119.213 119.950 -0.149 0.000 2.060 348 F HA -0.381 nan 4.527 nan 0.000 0.295 348 F C 1.752 177.607 175.800 0.092 0.000 1.120 348 F CA 3.001 60.980 58.000 -0.036 0.000 1.205 348 F CB -0.043 38.778 39.000 -0.299 0.000 0.986 348 F HN 0.219 8.287 8.300 -0.039 0.208 0.470 349 T N 2.997 117.404 114.554 -0.246 0.000 2.684 349 T HA -0.371 nan 4.350 nan 0.000 0.267 349 T C 2.676 177.242 174.700 -0.224 0.000 1.036 349 T CA 4.506 66.483 62.100 -0.206 0.000 1.148 349 T CB -0.475 68.378 68.868 -0.026 0.000 0.863 349 T HN -0.014 8.199 8.240 -0.046 0.000 0.436 350 L N 0.131 121.263 121.223 -0.151 0.000 2.127 350 L HA -0.214 nan 4.340 nan 0.000 0.211 350 L C 1.741 178.533 176.870 -0.129 0.000 1.089 350 L CA 2.539 57.300 54.840 -0.131 0.000 0.757 350 L CB -0.928 41.068 42.059 -0.105 0.000 0.899 350 L HN 0.394 8.550 8.230 -0.123 0.000 0.434 351 T N -7.544 106.948 114.554 -0.103 0.000 3.086 351 T HA 0.102 nan 4.350 nan 0.000 0.250 351 T C 0.483 175.182 174.700 -0.003 0.000 1.074 351 T CA -0.165 61.908 62.100 -0.045 0.000 0.988 351 T CB -0.070 68.799 68.868 0.002 0.000 0.988 351 T HN -0.444 7.715 8.240 -0.104 0.019 0.530 352 S N 2.725 118.345 115.700 -0.135 0.000 2.713 352 S HA 0.330 nan 4.470 nan 0.000 0.283 352 S C -0.726 173.769 174.600 -0.175 0.000 1.161 352 S CA -0.382 57.727 58.200 -0.151 0.000 0.999 352 S CB 1.874 64.860 63.200 -0.356 0.000 1.039 352 S HN -0.592 7.422 8.310 -0.217 0.165 0.548 353 R N 0.384 120.808 120.500 -0.127 0.000 2.827 353 R HA -0.023 nan 4.340 nan 0.000 0.269 353 R C 0.352 176.514 176.300 -0.231 0.000 1.048 353 R CA -0.032 55.988 56.100 -0.133 0.000 1.173 353 R CB 0.040 30.309 30.300 -0.053 0.000 1.070 353 R HN 0.479 8.707 8.270 -0.071 0.000 0.498 354 G N -2.373 106.305 108.800 -0.202 0.000 2.472 354 G HA2 -0.324 nan 3.960 nan 0.000 0.205 354 G HA3 -0.324 nan 3.960 nan 0.000 0.205 354 G C -2.487 172.270 174.900 -0.238 0.000 1.270 354 G CA -0.651 44.303 45.100 -0.243 0.000 0.974 354 G HN -0.336 7.860 8.290 -0.156 0.000 0.542 355 V N 0.535 120.300 119.914 -0.248 0.000 2.357 355 V HA 0.386 nan 4.120 nan 0.000 0.281 355 V C -1.668 174.308 176.094 -0.196 0.000 1.015 355 V CA -3.284 58.886 62.300 -0.217 0.000 0.827 355 V CB 2.259 33.940 31.823 -0.238 0.000 1.018 355 V HN 0.158 8.183 8.190 -0.274 0.000 0.432 356 P HA 0.375 nan 4.420 nan 0.000 0.276 356 P C -2.096 175.210 177.300 0.010 0.000 1.230 356 P CA -0.551 62.481 63.100 -0.114 0.000 0.776 356 P CB 0.647 32.270 31.700 -0.129 0.000 0.888 357 A N 3.272 126.153 122.820 0.102 0.000 2.342 357 A HA 0.760 nan 4.320 nan 0.000 0.323 357 A C -1.231 176.478 177.584 0.209 0.000 1.125 357 A CA -1.822 50.346 52.037 0.219 0.000 0.785 357 A CB 2.721 21.939 19.000 0.364 0.000 1.221 357 A HN 0.564 8.678 8.150 0.105 0.099 0.463 358 I N 1.838 122.518 120.570 0.182 0.000 2.433 358 I HA 0.218 nan 4.170 nan 0.000 0.292 358 I C -1.464 174.689 176.117 0.059 0.000 1.001 358 I CA -0.996 60.386 61.300 0.136 0.000 1.119 358 I CB 3.412 41.501 38.000 0.148 0.000 1.289 358 I HN 0.311 8.641 8.210 0.201 0.000 0.438 359 Y N 8.950 129.193 120.300 -0.095 0.000 2.402 359 Y HA 0.005 nan 4.550 nan 0.000 0.333 359 Y C -0.467 175.218 175.900 -0.358 0.000 1.076 359 Y CA -1.745 56.234 58.100 -0.201 0.000 1.299 359 Y CB 0.379 38.768 38.460 -0.119 0.000 1.197 359 Y HN 0.379 8.787 8.280 0.213 0.000 0.517 360 Y N 4.556 124.377 120.300 -0.799 0.000 2.903 360 Y HA -0.522 nan 4.550 nan 0.000 0.338 360 Y C 0.371 176.084 175.900 -0.313 0.000 1.265 360 Y CA 0.178 57.824 58.100 -0.758 0.000 1.532 360 Y CB -0.887 37.190 38.460 -0.640 0.000 1.293 360 Y HN 0.437 8.447 8.280 -0.451 0.000 0.609 361 G N 4.472 113.239 108.800 -0.056 0.000 2.199 361 G HA2 -0.575 nan 3.960 nan 0.000 0.254 361 G HA3 -0.575 nan 3.960 nan 0.000 0.254 361 G C 1.567 176.384 174.900 -0.137 0.000 0.982 361 G CA 0.970 45.992 45.100 -0.131 0.000 0.632 361 G HN 0.188 8.964 8.290 0.384 -0.256 0.529 362 S N 2.676 118.299 115.700 -0.129 0.000 2.370 362 S HA -0.357 nan 4.470 nan 0.000 0.226 362 S C 1.272 175.739 174.600 -0.220 0.000 1.033 362 S CA 4.693 62.826 58.200 -0.111 0.000 1.011 362 S CB -0.336 62.832 63.200 -0.054 0.000 0.852 362 S HN 0.052 8.186 8.310 -0.175 0.072 0.457 363 E N -1.417 118.720 120.200 -0.106 0.000 2.472 363 E HA -0.250 nan 4.350 nan 0.000 0.200 363 E C 0.617 177.118 176.600 -0.166 0.000 1.046 363 E CA 2.054 58.371 56.400 -0.139 0.000 0.871 363 E CB -1.216 28.537 29.700 0.088 0.000 0.806 363 E HN 0.451 8.822 8.360 0.029 0.007 0.533 364 Q N -2.410 117.329 119.800 -0.101 0.000 2.188 364 Q HA 0.035 nan 4.340 nan 0.000 0.212 364 Q C -0.537 175.512 176.000 0.083 0.000 0.846 364 Q CA -1.979 53.834 55.803 0.016 0.000 0.989 364 Q CB -0.371 28.384 28.738 0.028 0.000 1.114 364 Q HN -0.283 7.735 8.270 -0.082 0.202 0.488 365 Y N -4.495 115.788 120.300 -0.030 0.000 3.001 365 Y HA -0.500 nan 4.550 nan 0.000 0.207 365 Y C -0.499 175.427 175.900 0.043 0.000 1.231 365 Y CA 0.899 58.940 58.100 -0.099 0.000 1.024 365 Y CB -3.385 34.886 38.460 -0.315 0.000 1.267 365 Y HN -0.145 7.607 8.280 -0.596 0.170 0.501 366 M N -0.245 119.420 119.600 0.108 0.000 2.219 366 M HA -0.145 nan 4.480 nan 0.000 0.353 366 M C -0.602 175.799 176.300 0.168 0.000 1.304 366 M CA 1.249 56.602 55.300 0.088 0.000 1.115 366 M CB 0.720 33.288 32.600 -0.052 0.000 1.664 366 M HN -0.886 7.413 8.290 0.015 0.000 0.459 367 S N 2.117 117.913 115.700 0.160 0.000 2.681 367 S HA 0.580 nan 4.470 nan 0.000 0.299 367 S C -0.928 173.717 174.600 0.076 0.000 1.113 367 S CA -0.917 57.363 58.200 0.134 0.000 1.013 367 S CB 2.106 65.373 63.200 0.113 0.000 1.076 367 S HN 0.172 8.560 8.310 0.130 0.000 0.534 368 G N -0.073 108.764 108.800 0.061 0.000 2.343 368 G HA2 -0.022 nan 3.960 nan 0.000 0.298 368 G HA3 -0.022 nan 3.960 nan 0.000 0.298 368 G C -1.766 173.161 174.900 0.045 0.000 1.644 368 G CA -0.064 45.064 45.100 0.045 0.000 0.958 368 G HN -0.007 8.319 8.290 0.061 0.000 0.702 369 G N -0.943 107.875 108.800 0.030 0.000 2.514 369 G HA2 -0.016 nan 3.960 nan 0.000 0.245 369 G HA3 -0.016 nan 3.960 nan 0.000 0.245 369 G C -0.549 174.371 174.900 0.034 0.000 1.488 369 G CA -0.799 44.316 45.100 0.025 0.000 1.063 369 G HN 0.073 8.378 8.290 0.024 0.000 0.557 370 N N -0.926 117.787 118.700 0.022 0.000 2.354 370 N HA -0.078 nan 4.740 nan 0.000 0.246 370 N C -0.289 175.233 175.510 0.020 0.000 1.285 370 N CA 0.046 53.108 53.050 0.020 0.000 0.925 370 N CB 1.000 39.486 38.487 -0.001 0.000 1.174 370 N HN 0.018 8.406 8.380 0.012 0.000 0.478 371 D N -0.067 120.345 120.400 0.019 0.000 2.923 371 D HA -0.189 nan 4.640 nan 0.000 0.220 371 D C -0.292 176.029 176.300 0.035 0.000 1.099 371 D CA 0.369 54.391 54.000 0.036 0.000 0.807 371 D CB 0.579 41.392 40.800 0.021 0.000 1.155 371 D HN 0.387 8.765 8.370 0.013 0.000 0.524 372 P HA 0.152 nan 4.420 nan 0.000 0.262 372 P C -0.022 177.301 177.300 0.039 0.000 1.304 372 P CA 0.196 63.341 63.100 0.074 0.000 0.859 372 P CB 0.806 32.557 31.700 0.085 0.000 1.310 373 D N 1.300 121.718 120.400 0.030 0.000 2.263 373 D HA -0.210 nan 4.640 nan 0.000 0.208 373 D C 0.138 176.460 176.300 0.036 0.000 0.971 373 D CA 2.749 56.764 54.000 0.024 0.000 0.867 373 D CB -0.899 39.913 40.800 0.021 0.000 0.929 373 D HN 0.221 8.540 8.370 0.029 0.068 0.492 374 N N -4.208 114.524 118.700 0.055 0.000 2.336 374 N HA -0.068 nan 4.740 nan 0.000 0.189 374 N C -0.325 175.238 175.510 0.089 0.000 1.113 374 N CA 0.187 53.295 53.050 0.098 0.000 0.858 374 N CB -0.633 37.935 38.487 0.135 0.000 0.970 374 N HN 0.101 8.472 8.380 0.052 0.040 0.471 375 R N -2.252 118.263 120.500 0.026 0.000 2.834 375 R HA 0.364 nan 4.340 nan 0.000 0.362 375 R C -1.634 174.707 176.300 0.067 0.000 1.147 375 R CA -2.089 54.013 56.100 0.004 0.000 1.125 375 R CB -1.395 28.774 30.300 -0.218 0.000 1.361 375 R HN -0.034 8.085 8.270 0.028 0.168 0.598 376 A N 0.082 122.933 122.820 0.051 0.000 2.386 376 A HA -0.013 nan 4.320 nan 0.000 0.246 376 A C -0.734 176.915 177.584 0.107 0.000 1.089 376 A CA -0.683 51.379 52.037 0.042 0.000 0.790 376 A CB 0.545 19.554 19.000 0.015 0.000 1.042 376 A HN -0.115 8.051 8.150 0.026 0.000 0.497 377 R N -0.356 120.187 120.500 0.072 0.000 2.594 377 R HA -0.096 nan 4.340 nan 0.000 0.272 377 R C 0.134 176.482 176.300 0.080 0.000 1.074 377 R CA -0.104 56.055 56.100 0.099 0.000 1.105 377 R CB 0.813 31.137 30.300 0.041 0.000 1.008 377 R HN 0.269 8.556 8.270 0.028 0.000 0.472 378 L N 8.169 129.460 121.223 0.114 0.000 2.584 378 L HA 0.006 nan 4.340 nan 0.000 0.272 378 L C -1.590 175.139 176.870 -0.235 0.000 1.195 378 L CA -0.383 54.425 54.840 -0.054 0.000 0.920 378 L CB -0.248 41.727 42.059 -0.140 0.000 1.173 378 L HN 0.058 8.408 8.230 0.201 0.000 0.489 379 P HA 0.113 nan 4.420 nan 0.000 0.255 379 P C -1.329 175.849 177.300 -0.203 0.000 1.248 379 P CA 0.077 63.085 63.100 -0.153 0.000 0.807 379 P CB 0.654 32.313 31.700 -0.069 0.000 1.150 380 S N -3.773 111.704 115.700 -0.371 0.000 2.552 380 S HA 0.090 nan 4.470 nan 0.000 0.272 380 S C -1.834 172.428 174.600 -0.563 0.000 1.150 380 S CA -0.705 57.328 58.200 -0.279 0.000 0.849 380 S CB 1.512 64.653 63.200 -0.100 0.000 1.113 380 S HN -0.941 6.982 8.310 -0.554 0.055 0.458 381 F N 3.294 123.131 119.950 -0.188 0.000 2.881 381 F HA 0.218 nan 4.527 nan 0.000 0.343 381 F C -1.179 174.598 175.800 -0.039 0.000 1.233 381 F CA -0.765 57.003 58.000 -0.386 0.000 1.262 381 F CB 0.800 39.491 39.000 -0.515 0.000 0.980 381 F HN 0.191 8.498 8.300 0.011 0.000 0.506 382 S N 0.128 115.907 115.700 0.131 0.000 2.525 382 S HA -0.094 nan 4.470 nan 0.000 0.285 382 S C 0.963 175.548 174.600 -0.024 0.000 1.283 382 S CA 0.405 58.648 58.200 0.073 0.000 1.072 382 S CB 1.175 64.405 63.200 0.049 0.000 0.867 382 S HN -0.703 7.556 8.310 0.056 0.084 0.492 383 T N 6.728 121.132 114.554 -0.250 0.000 3.086 383 T HA 0.182 nan 4.350 nan 0.000 0.250 383 T C 0.245 174.550 174.700 -0.658 0.000 1.074 383 T CA -0.079 61.481 62.100 -0.899 0.000 0.988 383 T CB -0.222 68.351 68.868 -0.492 0.000 0.988 383 T HN 0.419 8.583 8.240 -0.127 0.000 0.530 384 T N -0.278 114.133 114.554 -0.238 0.000 3.215 384 T HA 0.335 nan 4.350 nan 0.000 0.271 384 T C 0.309 175.028 174.700 0.032 0.000 1.012 384 T CA -1.410 60.644 62.100 -0.077 0.000 0.899 384 T CB 0.292 69.136 68.868 -0.040 0.000 1.089 384 T HN -0.625 7.478 8.240 -0.152 0.045 0.552 385 T N -0.977 113.630 114.554 0.088 0.000 2.868 385 T HA 0.147 nan 4.350 nan 0.000 0.292 385 T C 1.419 176.252 174.700 0.221 0.000 1.028 385 T CA -0.880 61.343 62.100 0.204 0.000 1.059 385 T CB 1.774 70.816 68.868 0.289 0.000 0.991 385 T HN -0.439 7.827 8.240 0.043 0.000 0.531 386 T N 3.963 118.664 114.554 0.245 0.000 2.821 386 T HA -0.139 nan 4.350 nan 0.000 0.267 386 T C 1.419 176.220 174.700 0.167 0.000 1.046 386 T CA 4.370 66.583 62.100 0.189 0.000 1.139 386 T CB -0.553 68.420 68.868 0.174 0.000 0.871 386 T HN 0.523 8.927 8.240 0.274 0.000 0.454 387 A N 1.815 124.733 122.820 0.163 0.000 1.972 387 A HA -0.212 nan 4.320 nan 0.000 0.219 387 A C 1.212 178.791 177.584 -0.007 0.000 1.169 387 A CA 2.980 54.989 52.037 -0.047 0.000 0.635 387 A CB -1.004 17.738 19.000 -0.430 0.000 0.810 387 A HN -0.108 8.241 8.150 0.332 0.000 0.446 388 Y N -0.376 119.894 120.300 -0.051 0.000 2.114 388 Y HA -0.532 nan 4.550 nan 0.000 0.284 388 Y C 1.898 177.772 175.900 -0.044 0.000 1.143 388 Y CA 4.182 62.252 58.100 -0.049 0.000 1.135 388 Y CB 0.259 38.708 38.460 -0.018 0.000 0.980 388 Y HN -0.307 8.016 8.280 0.222 0.090 0.499 389 Q N -1.398 118.543 119.800 0.235 0.000 2.135 389 Q HA -0.464 nan 4.340 nan 0.000 0.204 389 Q C 2.542 178.556 176.000 0.023 0.000 0.981 389 Q CA 3.690 59.573 55.803 0.133 0.000 0.856 389 Q CB -0.098 28.713 28.738 0.121 0.000 0.902 389 Q HN -0.056 8.379 8.270 0.275 0.000 0.425 390 V N 0.531 120.447 119.914 0.003 0.000 2.295 390 V HA -0.398 nan 4.120 nan 0.000 0.246 390 V C 1.890 177.936 176.094 -0.079 0.000 1.049 390 V CA 4.654 66.933 62.300 -0.035 0.000 1.024 390 V CB -0.805 31.000 31.823 -0.031 0.000 0.648 390 V HN 0.287 8.496 8.190 0.032 0.000 0.447 391 I N -1.456 119.042 120.570 -0.120 0.000 2.226 391 I HA -0.628 nan 4.170 nan 0.000 0.245 391 I C 1.667 177.678 176.117 -0.176 0.000 1.100 391 I CA 4.348 65.552 61.300 -0.161 0.000 1.374 391 I CB -0.385 37.485 38.000 -0.217 0.000 1.057 391 I HN -0.508 7.631 8.210 -0.119 0.000 0.413 392 Q N 0.853 120.531 119.800 -0.203 0.000 2.135 392 Q HA -0.316 nan 4.340 nan 0.000 0.204 392 Q C 1.852 177.800 176.000 -0.088 0.000 0.981 392 Q CA 3.303 59.013 55.803 -0.155 0.000 0.856 392 Q CB -0.090 28.592 28.738 -0.093 0.000 0.902 392 Q HN 0.020 8.148 8.270 -0.238 0.000 0.425 393 K N -2.956 117.404 120.400 -0.067 0.000 2.076 393 K HA -0.167 nan 4.320 nan 0.000 0.204 393 K C 1.901 178.460 176.600 -0.069 0.000 1.051 393 K CA 2.741 58.995 56.287 -0.054 0.000 0.949 393 K CB 0.532 33.007 32.500 -0.042 0.000 0.726 393 K HN -0.268 7.944 8.250 -0.064 0.000 0.443 394 L N -3.305 117.868 121.223 -0.083 0.000 2.298 394 L HA 0.054 nan 4.340 nan 0.000 0.209 394 L C 2.018 178.830 176.870 -0.097 0.000 1.084 394 L CA 1.393 56.180 54.840 -0.089 0.000 0.816 394 L CB 0.379 42.383 42.059 -0.092 0.000 0.967 394 L HN -0.352 7.826 8.230 -0.087 0.000 0.460 395 A N 0.266 123.023 122.820 -0.104 0.000 1.892 395 A HA -0.165 nan 4.320 nan 0.000 0.218 395 A C -1.200 176.321 177.584 -0.105 0.000 1.188 395 A CA 4.860 56.832 52.037 -0.107 0.000 0.631 395 A CB -2.788 16.144 19.000 -0.114 0.000 0.822 395 A HN 0.521 8.499 8.150 -0.110 0.105 0.447 396 P HA -0.198 nan 4.420 nan 0.000 0.218 396 P C 0.990 178.233 177.300 -0.095 0.000 1.148 396 P CA 2.637 65.683 63.100 -0.089 0.000 0.822 396 P CB -0.424 31.233 31.700 -0.073 0.000 0.784 397 L N -3.995 117.172 121.223 -0.094 0.000 2.265 397 L HA -0.311 nan 4.340 nan 0.000 0.215 397 L C 2.035 178.830 176.870 -0.125 0.000 1.117 397 L CA 3.019 57.802 54.840 -0.095 0.000 0.782 397 L CB -0.640 41.367 42.059 -0.086 0.000 0.914 397 L HN -0.500 7.533 8.230 -0.092 0.142 0.441 398 R N -1.729 118.682 120.500 -0.148 0.000 2.189 398 R HA -0.237 nan 4.340 nan 0.000 0.218 398 R C 1.388 177.554 176.300 -0.224 0.000 1.074 398 R CA 2.665 58.643 56.100 -0.203 0.000 0.991 398 R CB -0.235 29.942 30.300 -0.204 0.000 0.883 398 R HN -0.303 7.856 8.270 -0.134 0.031 0.457 399 K N -1.898 118.400 120.400 -0.169 0.000 2.128 399 K HA -0.008 nan 4.320 nan 0.000 0.202 399 K C 1.599 178.121 176.600 -0.129 0.000 1.050 399 K CA 1.879 58.073 56.287 -0.155 0.000 0.966 399 K CB 0.379 32.805 32.500 -0.123 0.000 0.759 399 K HN -0.102 7.928 8.250 -0.144 0.134 0.454 400 S N -1.429 114.207 115.700 -0.107 0.000 2.377 400 S HA -0.224 nan 4.470 nan 0.000 0.223 400 S C 0.615 175.168 174.600 -0.078 0.000 1.030 400 S CA 2.746 60.897 58.200 -0.082 0.000 0.970 400 S CB 0.778 63.938 63.200 -0.066 0.000 0.830 400 S HN -0.277 7.970 8.310 -0.106 0.000 0.473 401 N N 1.070 119.718 118.700 -0.087 0.000 2.457 401 N HA 0.442 nan 4.740 nan 0.000 0.250 401 N C -1.450 174.004 175.510 -0.093 0.000 0.982 401 N CA -3.289 49.722 53.050 -0.064 0.000 0.941 401 N CB 1.581 40.041 38.487 -0.047 0.000 1.120 401 N HN -0.310 7.897 8.380 -0.104 0.111 0.505 402 P HA -0.087 nan 4.420 nan 0.000 0.226 402 P C 0.056 177.289 177.300 -0.113 0.000 1.153 402 P CA 1.983 65.018 63.100 -0.109 0.000 0.777 402 P CB 0.177 31.967 31.700 0.149 0.000 0.794 403 A N -0.702 122.153 122.820 0.058 0.000 1.898 403 A HA -0.195 nan 4.320 nan 0.000 0.216 403 A C 2.257 179.837 177.584 -0.007 0.000 1.181 403 A CA 2.870 54.978 52.037 0.118 0.000 0.620 403 A CB -0.876 18.215 19.000 0.151 0.000 0.819 403 A HN 0.235 8.395 8.150 0.077 0.036 0.442 404 I N -1.363 119.164 120.570 -0.072 0.000 2.142 404 I HA -0.469 nan 4.170 nan 0.000 0.240 404 I C 2.021 177.999 176.117 -0.231 0.000 1.078 404 I CA 1.746 62.977 61.300 -0.115 0.000 1.343 404 I CB -1.379 36.548 38.000 -0.121 0.000 1.046 404 I HN -0.691 7.481 8.210 -0.064 0.000 0.405 405 A N -1.792 120.790 122.820 -0.396 0.000 1.933 405 A HA -0.242 nan 4.320 nan 0.000 0.218 405 A C 1.830 178.952 177.584 -0.770 0.000 1.175 405 A CA 2.962 54.592 52.037 -0.678 0.000 0.628 405 A CB 0.116 18.461 19.000 -1.092 0.000 0.814 405 A HN -0.544 7.388 8.150 -0.363 0.000 0.444 406 Y N -6.824 113.252 120.300 -0.373 0.000 2.666 406 Y HA 0.058 nan 4.550 nan 0.000 0.260 406 Y C 0.200 175.960 175.900 -0.232 0.000 1.089 406 Y CA -1.558 56.284 58.100 -0.430 0.000 1.246 406 Y CB 2.299 40.209 38.460 -0.917 0.000 1.353 406 Y HN -0.112 7.858 8.280 -0.515 0.000 0.558 407 G N 0.884 109.694 108.800 0.017 0.000 2.572 407 G HA2 0.209 nan 3.960 nan 0.000 0.261 407 G HA3 0.209 nan 3.960 nan 0.000 0.261 407 G C -1.119 173.868 174.900 0.146 0.000 1.197 407 G CA -0.608 44.623 45.100 0.219 0.000 0.870 407 G HN -0.233 7.944 8.290 -0.061 0.076 0.548 408 S N -0.854 114.946 115.700 0.165 0.000 2.593 408 S HA 0.250 nan 4.470 nan 0.000 0.269 408 S C -0.031 174.439 174.600 -0.216 0.000 1.334 408 S CA 0.584 58.773 58.200 -0.018 0.000 1.015 408 S CB 0.792 63.993 63.200 0.003 0.000 0.912 408 S HN -0.074 8.401 8.310 0.275 0.000 0.541 409 T N 2.639 117.025 114.554 -0.280 0.000 2.824 409 T HA 0.456 nan 4.350 nan 0.000 0.280 409 T C -1.191 173.293 174.700 -0.360 0.000 0.995 409 T CA -0.122 61.876 62.100 -0.171 0.000 1.009 409 T CB 1.297 70.163 68.868 -0.003 0.000 0.955 409 T HN -0.016 8.390 8.240 -0.195 -0.283 0.452 410 H N 3.287 122.479 119.070 0.205 0.000 3.096 410 H HA 0.261 nan 4.556 nan 0.000 0.335 410 H C -1.693 173.758 175.328 0.204 0.000 0.990 410 H CA -1.469 54.680 56.048 0.169 0.000 1.393 410 H CB 1.931 31.779 29.762 0.143 0.000 1.742 410 H HN 0.402 8.822 8.280 0.234 0.000 0.501 411 E N 5.351 125.715 120.200 0.273 0.000 2.384 411 E HA -0.098 nan 4.350 nan 0.000 0.266 411 E C -0.831 175.909 176.600 0.233 0.000 1.012 411 E CA 0.638 57.189 56.400 0.252 0.000 0.901 411 E CB 0.339 30.132 29.700 0.155 0.000 0.967 411 E HN 0.537 9.028 8.360 0.218 0.000 0.435 412 R N 4.951 125.605 120.500 0.257 0.000 2.310 412 R HA 0.228 nan 4.340 nan 0.000 0.199 412 R C -0.961 175.520 176.300 0.302 0.000 0.891 412 R CA -0.432 55.814 56.100 0.243 0.000 1.060 412 R CB 2.166 32.611 30.300 0.241 0.000 1.188 412 R HN 0.661 9.109 8.270 0.296 0.000 0.607 413 W N -1.531 119.826 121.300 0.095 0.000 3.138 413 W HA 0.176 nan 4.660 nan 0.000 0.331 413 W C -2.318 174.216 176.519 0.025 0.000 1.166 413 W CA 0.346 57.724 57.345 0.055 0.000 1.212 413 W CB 2.808 32.298 29.460 0.051 0.000 1.399 413 W HN -0.471 7.930 8.180 0.369 0.000 0.514 414 I N 3.906 124.282 120.570 -0.323 0.000 3.066 414 I HA 0.523 nan 4.170 nan 0.000 0.307 414 I C -2.995 172.771 176.117 -0.585 0.000 1.366 414 I CA -1.566 59.539 61.300 -0.324 0.000 0.972 414 I CB 3.847 41.629 38.000 -0.364 0.000 1.307 414 I HN -0.090 7.588 8.210 -0.887 0.000 0.470 415 N N 2.333 120.764 118.700 -0.448 0.000 3.261 415 N HA 0.218 nan 4.740 nan 0.000 0.248 415 N C -0.821 174.552 175.510 -0.227 0.000 1.498 415 N CA -0.690 52.191 53.050 -0.281 0.000 0.884 415 N CB 1.332 39.728 38.487 -0.151 0.000 1.428 415 N HN 0.157 8.315 8.380 -0.370 0.000 0.517 416 N N -0.370 118.357 118.700 0.045 0.000 2.096 416 N HA -0.417 nan 4.740 nan 0.000 0.195 416 N C 0.254 175.746 175.510 -0.031 0.000 1.017 416 N CA 3.350 56.435 53.050 0.059 0.000 0.870 416 N CB -0.013 38.533 38.487 0.097 0.000 1.024 416 N HN 0.669 9.152 8.380 0.171 0.000 0.434 417 D N -5.309 115.086 120.400 -0.008 0.000 2.433 417 D HA 0.221 nan 4.640 nan 0.000 0.211 417 D C -1.701 174.620 176.300 0.034 0.000 1.114 417 D CA 0.539 54.541 54.000 0.003 0.000 0.837 417 D CB 1.143 41.967 40.800 0.041 0.000 0.984 417 D HN -0.085 8.276 8.370 0.020 0.021 0.505 418 V N -0.903 119.045 119.914 0.056 0.000 2.686 418 V HA 0.654 nan 4.120 nan 0.000 0.306 418 V C -2.427 173.750 176.094 0.138 0.000 1.065 418 V CA -0.839 61.556 62.300 0.157 0.000 0.894 418 V CB 3.706 35.712 31.823 0.306 0.000 1.004 418 V HN -0.631 7.551 8.190 -0.013 0.000 0.424 419 I N 6.357 127.040 120.570 0.187 0.000 2.582 419 I HA 0.872 nan 4.170 nan 0.000 0.292 419 I C -2.849 173.475 176.117 0.345 0.000 1.066 419 I CA -2.272 59.164 61.300 0.226 0.000 1.053 419 I CB 4.048 42.151 38.000 0.171 0.000 1.241 419 I HN 0.193 8.530 8.210 0.212 0.000 0.421 420 I N 6.229 127.024 120.570 0.376 0.000 2.478 420 I HA 0.921 nan 4.170 nan 0.000 0.287 420 I C -3.001 173.331 176.117 0.358 0.000 1.042 420 I CA -1.787 59.703 61.300 0.317 0.000 1.067 420 I CB 2.828 41.021 38.000 0.321 0.000 1.233 420 I HN 0.337 8.772 8.210 0.375 0.000 0.431 421 Y N 4.723 125.154 120.300 0.219 0.000 2.587 421 Y HA 0.901 nan 4.550 nan 0.000 0.337 421 Y C -2.723 173.302 175.900 0.209 0.000 1.065 421 Y CA -3.702 54.525 58.100 0.211 0.000 1.126 421 Y CB 2.822 41.404 38.460 0.203 0.000 1.279 421 Y HN 0.725 8.929 8.280 -0.126 0.000 0.489 422 E N -0.717 119.694 120.200 0.351 0.000 2.256 422 E HA 0.546 nan 4.350 nan 0.000 0.268 422 E C -1.157 175.673 176.600 0.383 0.000 0.877 422 E CA -2.149 54.415 56.400 0.272 0.000 0.757 422 E CB 3.714 33.565 29.700 0.252 0.000 1.183 422 E HN 0.416 9.046 8.360 0.451 0.000 0.418 423 R N 4.580 125.238 120.500 0.263 0.000 2.368 423 R HA 0.626 nan 4.340 nan 0.000 0.302 423 R C -1.616 174.848 176.300 0.272 0.000 1.002 423 R CA -2.050 54.193 56.100 0.239 0.000 0.929 423 R CB 1.646 32.039 30.300 0.155 0.000 1.073 423 R HN 0.785 9.160 8.270 0.175 0.000 0.464 424 K N 2.663 123.269 120.400 0.343 0.000 2.535 424 K HA 0.544 nan 4.320 nan 0.000 0.250 424 K C -2.531 174.297 176.600 0.380 0.000 0.948 424 K CA -0.698 55.794 56.287 0.342 0.000 0.796 424 K CB 4.003 36.742 32.500 0.398 0.000 1.216 424 K HN -0.118 8.322 8.250 0.316 0.000 0.432 425 F N 6.559 126.590 119.950 0.135 0.000 2.831 425 F HA 0.188 nan 4.527 nan 0.000 0.346 425 F C -0.926 174.924 175.800 0.084 0.000 1.224 425 F CA -0.631 57.440 58.000 0.117 0.000 1.048 425 F CB 2.113 41.191 39.000 0.130 0.000 1.339 425 F HN 0.191 8.677 8.300 0.310 0.000 0.514 426 G N 8.718 117.351 108.800 -0.278 0.000 2.565 426 G HA2 -0.437 nan 3.960 nan 0.000 0.295 426 G HA3 -0.437 nan 3.960 nan 0.000 0.295 426 G C -0.746 174.142 174.900 -0.021 0.000 1.165 426 G CA 1.362 46.339 45.100 -0.206 0.000 0.977 426 G HN 0.261 8.386 8.290 -0.274 0.000 0.546 427 N N 4.737 123.455 118.700 0.029 0.000 2.204 427 N HA 0.123 nan 4.740 nan 0.000 0.219 427 N C -1.088 174.530 175.510 0.181 0.000 1.151 427 N CA -0.554 52.567 53.050 0.117 0.000 0.867 427 N CB 0.932 39.502 38.487 0.139 0.000 1.043 427 N HN 0.195 8.577 8.380 0.004 0.000 0.516 428 N N 1.329 120.106 118.700 0.128 0.000 2.514 428 N HA 0.105 nan 4.740 nan 0.000 0.277 428 N C -2.006 173.610 175.510 0.178 0.000 1.126 428 N CA 1.200 54.320 53.050 0.117 0.000 0.978 428 N CB 1.543 40.103 38.487 0.123 0.000 1.106 428 N HN -0.483 7.892 8.380 0.115 0.073 0.461 429 V N 1.691 121.715 119.914 0.183 0.000 2.971 429 V HA 0.750 nan 4.120 nan 0.000 0.309 429 V C -2.245 173.924 176.094 0.125 0.000 1.130 429 V CA -1.123 61.278 62.300 0.169 0.000 0.964 429 V CB 4.380 36.306 31.823 0.173 0.000 1.029 429 V HN 0.614 8.906 8.190 0.169 0.000 0.427 430 A N 3.941 126.819 122.820 0.097 0.000 2.422 430 A HA 0.985 nan 4.320 nan 0.000 0.302 430 A C -2.662 174.938 177.584 0.026 0.000 1.041 430 A CA -1.456 50.609 52.037 0.046 0.000 0.708 430 A CB 3.185 22.192 19.000 0.013 0.000 1.257 430 A HN 0.471 8.693 8.150 0.119 0.000 0.414 431 V N -1.525 118.395 119.914 0.009 0.000 2.577 431 V HA 0.855 nan 4.120 nan 0.000 0.303 431 V C -2.323 173.686 176.094 -0.141 0.000 1.042 431 V CA -2.222 60.084 62.300 0.009 0.000 0.872 431 V CB 2.680 34.605 31.823 0.171 0.000 0.998 431 V HN 0.797 8.999 8.190 0.020 0.000 0.423 432 V N 5.005 124.684 119.914 -0.393 0.000 2.656 432 V HA 1.002 nan 4.120 nan 0.000 0.307 432 V C -2.785 173.090 176.094 -0.364 0.000 1.051 432 V CA -2.910 59.085 62.300 -0.508 0.000 0.893 432 V CB 4.124 35.605 31.823 -0.569 0.000 0.999 432 V HN 0.686 8.580 8.190 -0.494 0.000 0.426 433 A N 7.717 130.395 122.820 -0.237 0.000 2.343 433 A HA 1.083 nan 4.320 nan 0.000 0.308 433 A C -2.386 175.227 177.584 0.047 0.000 1.092 433 A CA -2.010 50.045 52.037 0.029 0.000 0.751 433 A CB 2.669 21.785 19.000 0.194 0.000 1.203 433 A HN 0.602 8.497 8.150 -0.424 0.000 0.452 434 I N 1.776 122.446 120.570 0.166 0.000 2.498 434 I HA 0.433 nan 4.170 nan 0.000 0.290 434 I C -2.267 173.968 176.117 0.196 0.000 1.032 434 I CA -1.144 60.267 61.300 0.186 0.000 1.073 434 I CB 3.335 41.510 38.000 0.291 0.000 1.251 434 I HN 0.799 9.141 8.210 0.219 0.000 0.426 435 N N 5.176 123.977 118.700 0.168 0.000 2.564 435 N HA 0.394 nan 4.740 nan 0.000 0.248 435 N C -0.276 175.327 175.510 0.155 0.000 0.986 435 N CA -1.491 51.649 53.050 0.150 0.000 0.921 435 N CB 1.379 39.942 38.487 0.127 0.000 1.136 435 N HN 0.480 8.949 8.380 0.148 0.000 0.509 436 R N 3.866 124.461 120.500 0.157 0.000 2.236 436 R HA -0.157 nan 4.340 nan 0.000 0.208 436 R C 0.077 176.447 176.300 0.116 0.000 1.036 436 R CA 0.964 57.168 56.100 0.173 0.000 1.001 436 R CB 0.047 30.418 30.300 0.119 0.000 0.896 436 R HN -0.053 8.294 8.270 0.128 0.000 0.464 437 N N 0.939 119.692 118.700 0.088 0.000 2.452 437 N HA -0.105 nan 4.740 nan 0.000 0.266 437 N C -0.604 174.953 175.510 0.079 0.000 1.175 437 N CA 0.754 53.847 53.050 0.072 0.000 0.945 437 N CB 0.805 39.329 38.487 0.063 0.000 1.063 437 N HN -0.635 7.970 8.380 0.091 -0.170 0.472 438 M N 3.534 123.178 119.600 0.073 0.000 2.494 438 M HA 0.032 nan 4.480 nan 0.000 0.232 438 M C -0.000 176.335 176.300 0.059 0.000 1.137 438 M CA -0.549 54.794 55.300 0.072 0.000 1.012 438 M CB -1.380 31.264 32.600 0.074 0.000 1.567 438 M HN 0.586 8.916 8.290 0.068 0.000 0.486 439 N N -1.416 117.316 118.700 0.053 0.000 2.430 439 N HA 0.097 nan 4.740 nan 0.000 0.235 439 N C 0.111 175.648 175.510 0.045 0.000 1.108 439 N CA 0.638 53.715 53.050 0.045 0.000 0.834 439 N CB 2.677 41.186 38.487 0.038 0.000 1.430 439 N HN -0.040 8.602 8.380 0.055 -0.229 0.463 440 T N 4.248 118.832 114.554 0.049 0.000 2.767 440 T HA 0.482 nan 4.350 nan 0.000 0.284 440 T C -2.876 171.858 174.700 0.056 0.000 0.973 440 T CA -1.368 60.761 62.100 0.049 0.000 0.996 440 T CB 0.242 69.139 68.868 0.049 0.000 0.927 440 T HN -0.183 8.431 8.240 0.053 -0.343 0.456 441 P HA 0.062 nan 4.420 nan 0.000 0.270 441 P C -2.040 175.289 177.300 0.048 0.000 1.223 441 P CA -0.478 62.654 63.100 0.053 0.000 0.785 441 P CB 0.704 32.431 31.700 0.046 0.000 0.923 442 A N 2.531 125.372 122.820 0.035 0.000 2.356 442 A HA 0.405 nan 4.320 nan 0.000 0.310 442 A C -1.619 175.913 177.584 -0.087 0.000 1.075 442 A CA -1.243 50.801 52.037 0.011 0.000 0.746 442 A CB 2.887 21.908 19.000 0.035 0.000 1.221 442 A HN 0.604 8.778 8.150 0.040 0.000 0.443 443 S N 2.230 117.870 115.700 -0.099 0.000 2.422 443 S HA 0.549 nan 4.470 nan 0.000 0.308 443 S C -0.974 173.394 174.600 -0.386 0.000 1.097 443 S CA -0.779 57.301 58.200 -0.199 0.000 1.099 443 S CB 0.436 63.586 63.200 -0.082 0.000 0.976 443 S HN 0.259 8.559 8.310 -0.017 0.000 0.471 444 I N 7.563 127.677 120.570 -0.759 0.000 2.336 444 I HA 0.160 nan 4.170 nan 0.000 0.292 444 I C -1.371 174.320 176.117 -0.710 0.000 0.991 444 I CA -1.650 58.921 61.300 -1.215 0.000 1.227 444 I CB 0.162 37.011 38.000 -1.919 0.000 1.366 444 I HN 0.992 8.648 8.210 -0.745 0.107 0.466 445 T N 6.676 120.982 114.554 -0.414 0.000 2.933 445 T HA 0.368 nan 4.350 nan 0.000 0.305 445 T C -0.579 174.157 174.700 0.060 0.000 1.092 445 T CA -0.267 61.767 62.100 -0.110 0.000 1.008 445 T CB 3.113 71.988 68.868 0.012 0.000 1.102 445 T HN 0.598 8.589 8.240 -0.415 0.000 0.469 446 G N 3.899 112.739 108.800 0.065 0.000 2.143 446 G HA2 -0.415 nan 3.960 nan 0.000 0.249 446 G HA3 -0.415 nan 3.960 nan 0.000 0.249 446 G C -1.494 173.519 174.900 0.187 0.000 0.981 446 G CA 0.537 45.730 45.100 0.156 0.000 0.665 446 G HN 0.441 8.740 8.290 0.014 0.000 0.528 447 L N 1.107 122.366 121.223 0.060 0.000 2.433 447 L HA 0.116 nan 4.340 nan 0.000 0.275 447 L C -1.524 175.397 176.870 0.085 0.000 1.128 447 L CA 0.587 55.479 54.840 0.086 0.000 0.875 447 L CB 0.481 42.533 42.059 -0.012 0.000 1.171 447 L HN -0.454 7.706 8.230 -0.048 0.041 0.463 448 V N 7.792 127.770 119.914 0.108 0.000 2.513 448 V HA 0.519 nan 4.120 nan 0.000 0.299 448 V C -1.374 174.755 176.094 0.059 0.000 1.035 448 V CA -1.168 61.170 62.300 0.063 0.000 0.889 448 V CB 2.760 34.620 31.823 0.062 0.000 0.988 448 V HN 0.091 8.374 8.190 0.156 0.000 0.440 449 T N 5.290 119.855 114.554 0.018 0.000 2.831 449 T HA 0.466 nan 4.350 nan 0.000 0.287 449 T C 0.137 174.825 174.700 -0.020 0.000 1.070 449 T CA -1.615 60.487 62.100 0.004 0.000 1.010 449 T CB 2.262 71.111 68.868 -0.031 0.000 1.264 449 T HN 0.202 8.324 8.240 0.002 0.119 0.532 450 S N 1.199 116.885 115.700 -0.025 0.000 2.554 450 S HA 0.095 nan 4.470 nan 0.000 0.226 450 S C -0.459 174.110 174.600 -0.051 0.000 0.980 450 S CA 0.200 58.383 58.200 -0.028 0.000 0.939 450 S CB 0.258 63.453 63.200 -0.008 0.000 0.832 450 S HN 0.298 8.861 8.310 -0.012 -0.260 0.486 451 L N 2.772 123.932 121.223 -0.105 0.000 2.439 451 L HA 0.106 nan 4.340 nan 0.000 0.269 451 L C -1.949 174.821 176.870 -0.167 0.000 1.179 451 L CA -2.053 52.676 54.840 -0.186 0.000 0.828 451 L CB -0.652 41.157 42.059 -0.418 0.000 1.106 451 L HN -0.609 7.490 8.230 -0.108 0.066 0.467 452 P HA 0.046 nan 4.420 nan 0.000 0.269 452 P C -1.329 175.954 177.300 -0.028 0.000 1.215 452 P CA -0.564 62.406 63.100 -0.217 0.000 0.780 452 P CB 0.541 31.956 31.700 -0.474 0.000 0.898 453 R N 0.094 120.571 120.500 -0.040 0.000 2.570 453 R HA 0.002 nan 4.340 nan 0.000 0.277 453 R C -0.124 176.158 176.300 -0.030 0.000 1.039 453 R CA 0.107 56.204 56.100 -0.006 0.000 1.065 453 R CB -0.287 29.995 30.300 -0.029 0.000 0.964 453 R HN 0.381 8.610 8.270 -0.067 0.000 0.428 454 G N 1.817 110.596 108.800 -0.034 0.000 2.341 454 G HA2 -0.099 nan 3.960 nan 0.000 0.293 454 G HA3 -0.099 nan 3.960 nan 0.000 0.293 454 G C -3.006 171.738 174.900 -0.261 0.000 1.298 454 G CA -0.157 44.820 45.100 -0.205 0.000 0.868 454 G HN 0.238 8.439 8.290 0.026 0.106 0.540 455 S N -0.912 114.563 115.700 -0.376 0.000 2.503 455 S HA 0.905 nan 4.470 nan 0.000 0.301 455 S C -1.454 172.889 174.600 -0.429 0.000 1.087 455 S CA -1.374 56.665 58.200 -0.267 0.000 1.042 455 S CB 2.318 65.424 63.200 -0.156 0.000 1.043 455 S HN 0.019 8.094 8.310 -0.392 0.000 0.489 456 Y N 1.655 121.875 120.300 -0.133 0.000 2.350 456 Y HA 0.123 nan 4.550 nan 0.000 0.338 456 Y C -0.785 175.145 175.900 0.049 0.000 0.961 456 Y CA -1.066 57.011 58.100 -0.038 0.000 1.100 456 Y CB 3.479 41.888 38.460 -0.085 0.000 1.179 456 Y HN 0.796 8.969 8.280 -0.025 0.093 0.454 457 N N 3.449 122.288 118.700 0.230 0.000 2.482 457 N HA -0.103 nan 4.740 nan 0.000 0.260 457 N C -1.763 173.961 175.510 0.357 0.000 1.236 457 N CA -0.189 52.990 53.050 0.215 0.000 0.938 457 N CB 1.120 39.679 38.487 0.120 0.000 1.128 457 N HN 0.222 8.713 8.380 0.184 0.000 0.448 458 D N -0.577 119.975 120.400 0.254 0.000 2.343 458 D HA -0.020 nan 4.640 nan 0.000 0.255 458 D C 1.271 177.576 176.300 0.010 0.000 1.187 458 D CA 0.160 54.203 54.000 0.070 0.000 0.875 458 D CB 0.662 41.473 40.800 0.018 0.000 1.136 458 D HN 0.091 8.585 8.370 0.207 0.000 0.469 459 V N 3.044 122.933 119.914 -0.043 0.000 2.626 459 V HA -0.078 nan 4.120 nan 0.000 0.252 459 V C 0.003 176.073 176.094 -0.040 0.000 1.067 459 V CA 2.261 64.548 62.300 -0.021 0.000 1.081 459 V CB -0.194 31.612 31.823 -0.029 0.000 0.686 459 V HN 0.277 8.405 8.190 -0.103 0.000 0.468 460 L N -1.556 119.623 121.223 -0.073 0.000 2.700 460 L HA -0.007 nan 4.340 nan 0.000 0.240 460 L C 0.904 177.760 176.870 -0.022 0.000 1.162 460 L CA -0.079 54.729 54.840 -0.053 0.000 0.874 460 L CB -0.728 41.285 42.059 -0.076 0.000 1.001 460 L HN -0.697 7.626 8.230 -0.118 -0.164 0.447 461 G N -1.918 106.878 108.800 -0.007 0.000 2.225 461 G HA2 -0.432 nan 3.960 nan 0.000 0.267 461 G HA3 -0.432 nan 3.960 nan 0.000 0.267 461 G C 0.434 175.343 174.900 0.015 0.000 1.024 461 G CA 0.279 45.386 45.100 0.011 0.000 0.784 461 G HN 0.109 8.199 8.290 -0.007 0.196 0.507 462 G N -2.010 106.796 108.800 0.010 0.000 2.168 462 G HA2 -0.469 nan 3.960 nan 0.000 0.257 462 G HA3 -0.469 nan 3.960 nan 0.000 0.257 462 G C 0.887 175.797 174.900 0.015 0.000 0.997 462 G CA 0.216 45.326 45.100 0.017 0.000 0.708 462 G HN -0.154 8.331 8.290 -0.001 -0.196 0.520 463 I N -4.859 115.717 120.570 0.010 0.000 2.546 463 I HA -0.142 nan 4.170 nan 0.000 0.255 463 I C -0.055 176.075 176.117 0.022 0.000 1.163 463 I CA 2.464 63.776 61.300 0.019 0.000 1.457 463 I CB -0.145 37.869 38.000 0.024 0.000 1.092 463 I HN -0.058 8.014 8.210 0.001 0.138 0.434 464 L N -0.028 121.201 121.223 0.010 0.000 3.036 464 L HA 0.253 nan 4.340 nan 0.000 0.237 464 L C -0.768 176.115 176.870 0.021 0.000 1.319 464 L CA -1.187 53.663 54.840 0.016 0.000 1.112 464 L CB -1.561 40.499 42.059 0.002 0.000 1.480 464 L HN -0.351 7.861 8.230 -0.006 0.014 0.506 465 N N -2.749 115.969 118.700 0.029 0.000 2.708 465 N HA -0.418 nan 4.740 nan 0.000 0.249 465 N C -0.368 175.171 175.510 0.048 0.000 1.097 465 N CA 1.180 54.255 53.050 0.042 0.000 0.710 465 N CB -1.853 36.665 38.487 0.051 0.000 1.032 465 N HN -0.284 8.015 8.380 0.028 0.098 0.551 466 G N -2.765 106.050 108.800 0.025 0.000 2.562 466 G HA2 -0.062 nan 3.960 nan 0.000 0.275 466 G HA3 -0.062 nan 3.960 nan 0.000 0.275 466 G C -1.887 173.064 174.900 0.086 0.000 1.196 466 G CA -0.779 44.335 45.100 0.024 0.000 0.908 466 G HN -0.053 8.221 8.290 0.011 0.022 0.524 467 N N -4.314 114.491 118.700 0.176 0.000 2.761 467 N HA 0.069 nan 4.740 nan 0.000 0.283 467 N C -1.255 174.413 175.510 0.264 0.000 1.377 467 N CA -1.040 52.110 53.050 0.166 0.000 0.791 467 N CB 1.785 40.333 38.487 0.100 0.000 1.540 467 N HN -0.282 8.245 8.380 0.245 0.000 0.539 468 T N -0.248 114.356 114.554 0.083 0.000 2.780 468 T HA 0.159 nan 4.350 nan 0.000 0.294 468 T C -1.015 173.516 174.700 -0.282 0.000 0.949 468 T CA 0.726 62.830 62.100 0.007 0.000 1.074 468 T CB 0.172 69.033 68.868 -0.011 0.000 0.910 468 T HN 0.009 8.269 8.240 0.033 0.000 0.501 469 L N 7.319 128.202 121.223 -0.566 0.000 2.289 469 L HA 0.306 nan 4.340 nan 0.000 0.285 469 L C -1.475 175.178 176.870 -0.362 0.000 1.049 469 L CA -1.045 53.259 54.840 -0.892 0.000 0.804 469 L CB 2.832 43.910 42.059 -1.635 0.000 1.195 469 L HN 0.595 8.469 8.230 -0.432 0.097 0.428 470 T N 6.781 121.173 114.554 -0.269 0.000 2.807 470 T HA 0.445 nan 4.350 nan 0.000 0.279 470 T C -1.776 172.875 174.700 -0.082 0.000 0.993 470 T CA -0.570 61.463 62.100 -0.111 0.000 0.970 470 T CB 1.574 70.387 68.868 -0.092 0.000 0.950 470 T HN 0.069 8.116 8.240 -0.323 0.000 0.441 471 V N 6.047 125.959 119.914 -0.004 0.000 2.540 471 V HA 0.791 nan 4.120 nan 0.000 0.302 471 V C -0.839 175.254 176.094 -0.001 0.000 1.035 471 V CA -1.695 60.605 62.300 0.001 0.000 0.873 471 V CB 2.300 34.162 31.823 0.066 0.000 0.992 471 V HN 0.839 9.047 8.190 0.030 0.000 0.428 472 G N 4.255 113.046 108.800 -0.014 0.000 2.890 472 G HA2 0.272 nan 3.960 nan 0.000 0.189 472 G HA3 0.272 nan 3.960 nan 0.000 0.189 472 G C -2.246 172.645 174.900 -0.016 0.000 1.342 472 G CA -1.344 43.746 45.100 -0.016 0.000 1.026 472 G HN 0.645 8.924 8.290 -0.017 0.000 0.579 473 A N -1.128 121.683 122.820 -0.014 0.000 2.546 473 A HA -0.033 nan 4.320 nan 0.000 0.243 473 A C 0.896 178.473 177.584 -0.012 0.000 1.063 473 A CA 1.223 53.252 52.037 -0.014 0.000 0.757 473 A CB -0.580 18.414 19.000 -0.010 0.000 0.991 473 A HN 0.104 8.246 8.150 -0.013 0.000 0.503 474 G N 2.332 111.122 108.800 -0.015 0.000 2.221 474 G HA2 -0.353 nan 3.960 nan 0.000 0.265 474 G HA3 -0.353 nan 3.960 nan 0.000 0.265 474 G C 0.367 175.258 174.900 -0.014 0.000 1.041 474 G CA 0.085 45.177 45.100 -0.013 0.000 0.807 474 G HN 0.716 8.994 8.290 -0.020 0.000 0.502 475 G N -3.352 105.434 108.800 -0.023 0.000 2.189 475 G HA2 -0.506 nan 3.960 nan 0.000 0.267 475 G HA3 -0.506 nan 3.960 nan 0.000 0.267 475 G C -0.197 174.692 174.900 -0.018 0.000 0.975 475 G CA 0.048 45.131 45.100 -0.029 0.000 0.644 475 G HN -0.308 7.939 8.290 -0.026 0.027 0.537 476 A N 1.555 124.370 122.820 -0.007 0.000 2.451 476 A HA 0.215 nan 4.320 nan 0.000 0.266 476 A C -1.363 176.217 177.584 -0.008 0.000 1.119 476 A CA -0.633 51.406 52.037 0.003 0.000 0.786 476 A CB 0.386 19.391 19.000 0.008 0.000 1.061 476 A HN -0.614 7.470 8.150 -0.007 0.061 0.503 477 A N 4.495 127.311 122.820 -0.006 0.000 2.302 477 A HA 0.607 nan 4.320 nan 0.000 0.285 477 A C -0.606 176.986 177.584 0.014 0.000 1.105 477 A CA -1.132 50.895 52.037 -0.016 0.000 0.816 477 A CB 0.927 19.918 19.000 -0.016 0.000 1.067 477 A HN 0.533 8.688 8.150 0.008 0.000 0.489 478 S N 1.018 116.726 115.700 0.012 0.000 2.584 478 S HA -0.112 nan 4.470 nan 0.000 0.270 478 S C -0.150 174.501 174.600 0.085 0.000 1.346 478 S CA 0.489 58.707 58.200 0.029 0.000 1.018 478 S CB 0.246 63.449 63.200 0.005 0.000 0.899 478 S HN 0.094 8.390 8.310 -0.023 0.000 0.542 479 N N 0.781 119.501 118.700 0.033 0.000 2.454 479 N HA 0.187 nan 4.740 nan 0.000 0.254 479 N C -1.272 174.284 175.510 0.078 0.000 1.228 479 N CA 0.892 53.929 53.050 -0.022 0.000 0.900 479 N CB 0.245 38.710 38.487 -0.037 0.000 1.089 479 N HN 0.100 8.490 8.380 0.018 0.000 0.449 480 F N -1.315 118.563 119.950 -0.119 0.000 2.745 480 F HA 0.389 nan 4.527 nan 0.000 0.316 480 F C -2.116 173.634 175.800 -0.084 0.000 1.155 480 F CA -1.376 56.569 58.000 -0.093 0.000 0.937 480 F CB 2.531 41.469 39.000 -0.104 0.000 1.361 480 F HN 0.411 8.462 8.300 -0.414 0.000 0.472 481 T N 1.495 116.176 114.554 0.211 0.000 2.833 481 T HA 0.424 nan 4.350 nan 0.000 0.297 481 T C -1.309 173.531 174.700 0.233 0.000 1.015 481 T CA -0.197 61.959 62.100 0.094 0.000 0.963 481 T CB 0.265 69.174 68.868 0.068 0.000 0.955 481 T HN 0.103 8.540 8.240 0.328 0.000 0.449 482 L N 7.220 128.551 121.223 0.179 0.000 2.369 482 L HA 0.104 nan 4.340 nan 0.000 0.279 482 L C -0.982 175.974 176.870 0.143 0.000 1.108 482 L CA -0.373 54.614 54.840 0.245 0.000 0.852 482 L CB 1.625 43.804 42.059 0.200 0.000 1.169 482 L HN 0.752 8.980 8.230 -0.003 0.000 0.452 483 A N 6.710 129.612 122.820 0.137 0.000 2.492 483 A HA -0.030 nan 4.320 nan 0.000 0.236 483 A C -2.294 175.343 177.584 0.089 0.000 1.078 483 A CA -1.591 50.505 52.037 0.098 0.000 0.773 483 A CB -1.072 17.980 19.000 0.088 0.000 1.023 483 A HN 0.374 8.619 8.150 0.159 0.000 0.504 484 P HA -0.306 nan 4.420 nan 0.000 0.258 484 P C -0.196 177.152 177.300 0.079 0.000 1.172 484 P CA 1.504 64.649 63.100 0.074 0.000 0.762 484 P CB -0.553 31.185 31.700 0.063 0.000 0.764 485 G N 4.906 113.761 108.800 0.091 0.000 2.153 485 G HA2 -0.423 nan 3.960 nan 0.000 0.252 485 G HA3 -0.423 nan 3.960 nan 0.000 0.252 485 G C 0.016 174.967 174.900 0.085 0.000 0.994 485 G CA 0.207 45.364 45.100 0.096 0.000 0.698 485 G HN 0.206 8.554 8.290 0.097 0.000 0.521 486 G N -0.363 108.490 108.800 0.089 0.000 2.378 486 G HA2 0.064 nan 3.960 nan 0.000 0.255 486 G HA3 0.064 nan 3.960 nan 0.000 0.255 486 G C -2.411 172.525 174.900 0.060 0.000 1.270 486 G CA 0.102 45.249 45.100 0.078 0.000 0.876 486 G HN -0.473 7.836 8.290 0.098 0.039 0.521 487 T N 5.438 119.996 114.554 0.008 0.000 2.921 487 T HA 0.649 nan 4.350 nan 0.000 0.297 487 T C -2.513 172.090 174.700 -0.162 0.000 1.013 487 T CA -0.730 61.339 62.100 -0.050 0.000 0.990 487 T CB 2.357 71.205 68.868 -0.032 0.000 1.023 487 T HN 0.202 8.444 8.240 0.004 0.000 0.447 488 A N 4.176 126.790 122.820 -0.343 0.000 2.455 488 A HA 0.757 nan 4.320 nan 0.000 0.300 488 A C -3.014 173.971 177.584 -0.999 0.000 1.040 488 A CA -1.137 50.493 52.037 -0.678 0.000 0.697 488 A CB 3.280 21.796 19.000 -0.807 0.000 1.265 488 A HN 0.491 8.448 8.150 -0.321 0.000 0.407 489 V N 0.801 120.151 119.914 -0.940 0.000 2.588 489 V HA 0.774 nan 4.120 nan 0.000 0.304 489 V C -1.786 173.903 176.094 -0.675 0.000 1.042 489 V CA -0.893 61.006 62.300 -0.668 0.000 0.877 489 V CB 2.316 33.944 31.823 -0.326 0.000 0.996 489 V HN 0.126 8.044 8.190 -0.864 -0.247 0.425 490 W N 5.950 127.200 121.300 -0.083 0.000 2.936 490 W HA 0.558 nan 4.660 nan 0.000 0.338 490 W C -2.348 174.122 176.519 -0.081 0.000 1.121 490 W CA -1.285 56.017 57.345 -0.073 0.000 1.209 490 W CB 3.687 33.044 29.460 -0.172 0.000 1.420 490 W HN 1.076 9.131 8.180 -0.209 0.000 0.516 491 Q N -1.970 117.950 119.800 0.200 0.000 2.511 491 Q HA 0.692 nan 4.340 nan 0.000 0.289 491 Q C -2.709 173.462 176.000 0.284 0.000 1.021 491 Q CA -1.282 54.613 55.803 0.154 0.000 0.785 491 Q CB 3.795 32.592 28.738 0.098 0.000 1.472 491 Q HN 0.111 8.574 8.270 0.321 0.000 0.411 492 Y N 0.340 120.699 120.300 0.099 0.000 2.362 492 Y HA 0.206 nan 4.550 nan 0.000 0.326 492 Y C -2.583 173.373 175.900 0.092 0.000 1.083 492 Y CA -0.761 57.421 58.100 0.137 0.000 1.073 492 Y CB 4.150 42.688 38.460 0.130 0.000 1.211 492 Y HN 0.603 9.002 8.280 0.198 0.000 0.433 493 T N 3.464 117.670 114.554 -0.579 0.000 2.918 493 T HA 0.666 nan 4.350 nan 0.000 0.286 493 T C -1.629 172.671 174.700 -0.668 0.000 1.026 493 T CA -2.031 59.797 62.100 -0.453 0.000 1.031 493 T CB 2.007 70.754 68.868 -0.202 0.000 1.046 493 T HN -0.115 7.832 8.240 -0.489 0.000 0.479 494 T N -0.166 114.170 114.554 -0.363 0.000 2.957 494 T HA 0.108 nan 4.350 nan 0.000 0.336 494 T C -1.956 172.689 174.700 -0.090 0.000 1.462 494 T CA -0.795 61.173 62.100 -0.220 0.000 1.073 494 T CB 2.009 70.796 68.868 -0.134 0.000 1.319 494 T HN -0.123 8.211 8.240 -0.224 -0.229 0.485 495 D N 1.854 122.220 120.400 -0.056 0.000 2.443 495 D HA -0.103 nan 4.640 nan 0.000 0.239 495 D C -0.417 175.866 176.300 -0.029 0.000 1.136 495 D CA 0.724 54.703 54.000 -0.035 0.000 0.879 495 D CB 0.769 41.554 40.800 -0.024 0.000 1.195 495 D HN 0.162 8.500 8.370 -0.054 0.000 0.443 496 A N 2.551 125.346 122.820 -0.041 0.000 2.301 496 A HA 0.309 nan 4.320 nan 0.000 0.298 496 A C -0.122 177.438 177.584 -0.040 0.000 1.185 496 A CA -0.352 51.650 52.037 -0.058 0.000 0.830 496 A CB 1.131 20.062 19.000 -0.114 0.000 1.112 496 A HN 0.229 8.353 8.150 -0.045 0.000 0.508 497 T N -2.078 112.463 114.554 -0.022 0.000 2.976 497 T HA -0.003 nan 4.350 nan 0.000 0.257 497 T C 0.683 175.393 174.700 0.018 0.000 1.051 497 T CA 0.865 62.966 62.100 0.002 0.000 1.141 497 T CB 0.263 69.136 68.868 0.009 0.000 0.881 497 T HN 0.181 8.408 8.240 -0.022 0.000 0.461 498 T N 3.711 118.266 114.554 0.002 0.000 2.867 498 T HA 0.400 nan 4.350 nan 0.000 0.282 498 T C -2.709 171.997 174.700 0.010 0.000 1.000 498 T CA -3.533 58.581 62.100 0.023 0.000 1.042 498 T CB 0.895 69.769 68.868 0.009 0.000 0.973 498 T HN -0.364 7.863 8.240 -0.023 0.000 0.465 499 P HA 0.224 nan 4.420 nan 0.000 0.276 499 P C -1.741 175.607 177.300 0.079 0.000 1.243 499 P CA -0.362 62.827 63.100 0.148 0.000 0.768 499 P CB 0.661 32.586 31.700 0.374 0.000 0.856 500 I N 2.878 123.426 120.570 -0.037 0.000 2.478 500 I HA 0.340 nan 4.170 nan 0.000 0.287 500 I C -0.950 175.240 176.117 0.122 0.000 1.042 500 I CA -1.210 60.043 61.300 -0.079 0.000 1.067 500 I CB 3.530 41.225 38.000 -0.508 0.000 1.233 500 I HN 0.464 8.559 8.210 -0.192 0.000 0.431 501 I N 7.388 128.099 120.570 0.233 0.000 2.352 501 I HA 0.024 nan 4.170 nan 0.000 0.290 501 I C -0.287 175.982 176.117 0.254 0.000 1.036 501 I CA 0.532 61.967 61.300 0.225 0.000 1.336 501 I CB 0.042 38.121 38.000 0.132 0.000 1.407 501 I HN 0.755 9.479 8.210 0.186 -0.403 0.497 502 G N 7.098 115.866 108.800 -0.054 0.000 2.673 502 G HA2 0.149 nan 3.960 nan 0.000 0.208 502 G HA3 0.149 nan 3.960 nan 0.000 0.208 502 G C -1.105 173.605 174.900 -0.318 0.000 1.128 502 G CA -0.382 44.490 45.100 -0.381 0.000 0.805 502 G HN 0.852 8.918 8.290 -0.198 0.105 0.526 503 N N -2.346 116.080 118.700 -0.458 0.000 2.859 503 N HA 0.240 nan 4.740 nan 0.000 0.250 503 N C -2.406 172.794 175.510 -0.516 0.000 1.341 503 N CA -0.382 52.476 53.050 -0.319 0.000 0.881 503 N CB 3.375 41.827 38.487 -0.058 0.000 1.516 503 N HN -0.461 7.606 8.380 -0.521 0.000 0.503 504 V N 0.658 120.276 119.914 -0.493 0.000 2.686 504 V HA 0.692 nan 4.120 nan 0.000 0.306 504 V C -1.851 174.220 176.094 -0.039 0.000 1.065 504 V CA -1.219 60.882 62.300 -0.332 0.000 0.894 504 V CB 3.818 35.388 31.823 -0.421 0.000 1.004 504 V HN 0.165 8.181 8.190 -0.289 0.000 0.424 505 G N 3.624 112.436 108.800 0.021 0.000 2.731 505 G HA2 0.594 nan 3.960 nan 0.000 0.298 505 G HA3 0.594 nan 3.960 nan 0.000 0.298 505 G C -3.681 171.283 174.900 0.107 0.000 1.424 505 G CA -1.894 43.271 45.100 0.108 0.000 1.029 505 G HN 0.439 8.713 8.290 -0.026 0.000 0.518 506 P HA 0.234 nan 4.420 nan 0.000 0.274 506 P C -1.214 176.198 177.300 0.186 0.000 1.246 506 P CA -0.590 62.587 63.100 0.128 0.000 0.795 506 P CB 1.314 33.058 31.700 0.073 0.000 1.006 507 M N -2.220 117.424 119.600 0.073 0.000 2.428 507 M HA 0.124 nan 4.480 nan 0.000 0.239 507 M C -1.247 174.768 176.300 -0.475 0.000 1.121 507 M CA -0.167 55.119 55.300 -0.023 0.000 1.019 507 M CB 0.522 33.158 32.600 0.060 0.000 1.485 507 M HN 0.396 8.711 8.290 0.041 0.000 0.484 508 M N -3.000 116.376 119.600 -0.375 0.000 2.255 508 M HA 0.398 nan 4.480 nan 0.000 0.275 508 M C -2.556 173.616 176.300 -0.214 0.000 1.050 508 M CA -0.339 54.724 55.300 -0.396 0.000 0.978 508 M CB 3.562 36.022 32.600 -0.233 0.000 1.761 508 M HN -1.028 7.098 8.290 -0.177 0.058 0.479 509 A N 4.299 127.027 122.820 -0.154 0.000 2.583 509 A HA 0.564 nan 4.320 nan 0.000 0.292 509 A C -2.574 175.020 177.584 0.017 0.000 1.045 509 A CA -0.061 51.962 52.037 -0.024 0.000 0.672 509 A CB 4.009 23.043 19.000 0.057 0.000 1.283 509 A HN 0.903 8.922 8.150 -0.218 0.000 0.419 510 K N -0.791 119.613 120.400 0.006 0.000 2.168 510 K HA 0.439 nan 4.320 nan 0.000 0.258 510 K C -2.090 174.508 176.600 -0.004 0.000 1.010 510 K CA -2.271 54.018 56.287 0.003 0.000 0.929 510 K CB -1.254 31.241 32.500 -0.008 0.000 0.998 510 K HN 0.155 8.721 8.250 -0.002 -0.316 0.479 511 P HA -0.465 nan 4.420 nan 0.000 0.261 511 P C -0.330 176.929 177.300 -0.067 0.000 1.165 511 P CA 1.395 64.446 63.100 -0.081 0.000 0.759 511 P CB -0.603 31.045 31.700 -0.086 0.000 0.772 512 G N 2.118 110.866 108.800 -0.088 0.000 2.259 512 G HA2 -0.410 nan 3.960 nan 0.000 0.217 512 G HA3 -0.410 nan 3.960 nan 0.000 0.217 512 G C -1.226 173.644 174.900 -0.049 0.000 1.001 512 G CA -0.222 44.838 45.100 -0.065 0.000 0.627 512 G HN 0.350 8.453 8.290 -0.128 0.110 0.501 513 V N 0.382 120.277 119.914 -0.031 0.000 2.785 513 V HA 0.313 nan 4.120 nan 0.000 0.300 513 V C -1.064 175.025 176.094 -0.007 0.000 1.062 513 V CA -1.621 60.671 62.300 -0.014 0.000 1.029 513 V CB 2.254 34.081 31.823 0.006 0.000 1.024 513 V HN -0.790 7.326 8.190 -0.026 0.058 0.477 514 T N 6.602 121.149 114.554 -0.011 0.000 2.729 514 T HA 0.432 nan 4.350 nan 0.000 0.296 514 T C -0.349 174.359 174.700 0.013 0.000 0.928 514 T CA 0.303 62.397 62.100 -0.010 0.000 1.045 514 T CB -0.696 68.154 68.868 -0.029 0.000 0.902 514 T HN 0.132 8.359 8.240 -0.021 0.000 0.500 515 I N 2.993 123.579 120.570 0.028 0.000 2.577 515 I HA 0.579 nan 4.170 nan 0.000 0.305 515 I C -0.850 175.243 176.117 -0.040 0.000 0.986 515 I CA -2.146 59.174 61.300 0.033 0.000 1.189 515 I CB 2.308 40.357 38.000 0.082 0.000 1.355 515 I HN 0.586 8.812 8.210 0.027 0.000 0.476 516 T N 5.402 119.926 114.554 -0.051 0.000 2.758 516 T HA 0.531 nan 4.350 nan 0.000 0.285 516 T C -1.052 173.556 174.700 -0.154 0.000 0.981 516 T CA -0.058 61.983 62.100 -0.097 0.000 0.965 516 T CB -0.162 68.669 68.868 -0.062 0.000 0.927 516 T HN 0.275 8.508 8.240 -0.012 0.000 0.448 517 I N 7.800 128.232 120.570 -0.230 0.000 2.378 517 I HA 0.578 nan 4.170 nan 0.000 0.291 517 I C -1.867 174.145 176.117 -0.176 0.000 0.992 517 I CA -1.042 60.078 61.300 -0.301 0.000 1.154 517 I CB 1.388 39.110 38.000 -0.463 0.000 1.315 517 I HN 0.696 8.762 8.210 -0.240 0.000 0.448 518 D N 5.796 126.102 120.400 -0.157 0.000 2.433 518 D HA 0.775 nan 4.640 nan 0.000 0.236 518 D C -1.048 175.109 176.300 -0.239 0.000 1.026 518 D CA -1.697 52.236 54.000 -0.112 0.000 0.884 518 D CB 3.927 44.614 40.800 -0.188 0.000 1.384 518 D HN 0.628 8.739 8.370 -0.263 0.102 0.477 519 G N -0.413 108.197 108.800 -0.317 0.000 2.498 519 G HA2 0.317 nan 3.960 nan 0.000 0.181 519 G HA3 0.317 nan 3.960 nan 0.000 0.181 519 G C -2.461 172.176 174.900 -0.439 0.000 1.169 519 G CA 0.907 45.772 45.100 -0.391 0.000 0.992 519 G HN 0.035 8.191 8.290 -0.222 0.000 0.490 520 R N -0.729 119.417 120.500 -0.590 0.000 2.764 520 R HA 0.387 nan 4.340 nan 0.000 0.270 520 R C -0.518 175.421 176.300 -0.601 0.000 1.014 520 R CA -1.911 53.917 56.100 -0.453 0.000 0.904 520 R CB 3.982 34.244 30.300 -0.063 0.000 1.236 520 R HN 0.018 7.888 8.270 -0.667 0.000 0.466 521 G N -0.491 108.115 108.800 -0.325 0.000 2.148 521 G HA2 -0.367 nan 3.960 nan 0.000 0.254 521 G HA3 -0.367 nan 3.960 nan 0.000 0.254 521 G C -0.287 174.629 174.900 0.027 0.000 0.981 521 G CA 1.076 46.095 45.100 -0.135 0.000 0.670 521 G HN 0.382 8.766 8.290 -0.237 -0.236 0.528 522 F N -1.168 118.819 119.950 0.061 0.000 2.367 522 F HA -0.238 nan 4.527 nan 0.000 0.298 522 F C 0.721 176.780 175.800 0.431 0.000 1.094 522 F CA 0.669 58.762 58.000 0.154 0.000 1.409 522 F CB 0.531 39.420 39.000 -0.185 0.000 1.064 522 F HN -0.454 7.560 8.300 -0.423 0.032 0.528 523 G N -1.683 107.373 108.800 0.426 0.000 2.795 523 G HA2 -0.323 nan 3.960 nan 0.000 0.664 523 G HA3 -0.323 nan 3.960 nan 0.000 0.664 523 G C -1.053 174.087 174.900 0.401 0.000 1.381 523 G CA -0.360 44.934 45.100 0.323 0.000 0.853 523 G HN -0.430 8.302 8.290 0.273 -0.278 0.545 524 S N -0.542 115.283 115.700 0.209 0.000 2.558 524 S HA -0.077 nan 4.470 nan 0.000 0.217 524 S C -0.210 174.426 174.600 0.060 0.000 0.975 524 S CA 0.758 59.060 58.200 0.171 0.000 0.912 524 S CB 0.205 63.456 63.200 0.086 0.000 0.776 524 S HN 0.271 8.662 8.310 0.136 0.000 0.526 525 G N 0.730 109.458 108.800 -0.120 0.000 2.461 525 G HA2 0.210 nan 3.960 nan 0.000 0.323 525 G HA3 0.210 nan 3.960 nan 0.000 0.323 525 G C -2.107 172.256 174.900 -0.895 0.000 1.229 525 G CA -1.002 43.900 45.100 -0.330 0.000 0.941 525 G HN -0.502 7.687 8.290 -0.074 0.057 0.477 526 K N 2.447 122.306 120.400 -0.900 0.000 2.489 526 K HA -0.177 nan 4.320 nan 0.000 0.278 526 K C -0.321 175.562 176.600 -1.195 0.000 1.000 526 K CA 1.291 56.799 56.287 -1.298 0.000 1.012 526 K CB 0.613 32.823 32.500 -0.484 0.000 0.903 526 K HN 0.206 8.156 8.250 -0.499 0.000 0.485 527 G N 3.824 111.591 108.800 -1.721 0.000 3.356 527 G HA2 0.501 nan 3.960 nan 0.000 0.178 527 G HA3 0.501 nan 3.960 nan 0.000 0.178 527 G C -1.757 172.977 174.900 -0.277 0.000 1.175 527 G CA -0.977 43.680 45.100 -0.738 0.000 0.840 527 G HN -0.291 6.177 8.290 -3.036 0.000 0.658 528 T N 1.250 115.816 114.554 0.019 0.000 2.906 528 T HA 0.716 nan 4.350 nan 0.000 0.295 528 T C -1.558 173.104 174.700 -0.063 0.000 1.061 528 T CA -0.496 61.550 62.100 -0.090 0.000 1.000 528 T CB 3.076 71.799 68.868 -0.241 0.000 1.103 528 T HN 0.110 8.452 8.240 0.169 0.000 0.486 529 V N 1.933 121.713 119.914 -0.222 0.000 2.588 529 V HA 0.781 nan 4.120 nan 0.000 0.304 529 V C -1.522 174.376 176.094 -0.327 0.000 1.042 529 V CA -1.291 60.897 62.300 -0.186 0.000 0.877 529 V CB 2.249 34.011 31.823 -0.102 0.000 0.996 529 V HN 0.547 8.584 8.190 -0.255 0.000 0.425 530 Y N 3.807 124.090 120.300 -0.028 0.000 2.387 530 Y HA 0.540 nan 4.550 nan 0.000 0.336 530 Y C -0.751 175.117 175.900 -0.052 0.000 1.067 530 Y CA -2.405 55.720 58.100 0.042 0.000 1.114 530 Y CB 3.068 41.548 38.460 0.033 0.000 1.208 530 Y HN 0.851 9.163 8.280 0.053 0.000 0.458 531 F N 2.211 122.210 119.950 0.081 0.000 2.513 531 F HA 0.254 nan 4.527 nan 0.000 0.358 531 F C 0.239 176.167 175.800 0.215 0.000 1.118 531 F CA -0.864 57.152 58.000 0.027 0.000 1.037 531 F CB 0.783 39.643 39.000 -0.233 0.000 1.276 531 F HN 0.598 9.057 8.300 0.444 0.107 0.446 532 G N 6.832 115.914 108.800 0.470 0.000 2.547 532 G HA2 -0.373 nan 3.960 nan 0.000 0.271 532 G HA3 -0.373 nan 3.960 nan 0.000 0.271 532 G C -0.818 174.262 174.900 0.299 0.000 1.209 532 G CA 1.122 46.467 45.100 0.408 0.000 0.959 532 G HN 0.214 8.721 8.290 0.361 0.000 0.563 533 T N -2.390 112.314 114.554 0.250 0.000 3.169 533 T HA 0.021 nan 4.350 nan 0.000 0.250 533 T C 0.526 175.406 174.700 0.299 0.000 1.111 533 T CA -0.010 62.221 62.100 0.218 0.000 1.010 533 T CB -0.621 68.328 68.868 0.136 0.000 0.984 533 T HN -0.009 8.381 8.240 0.250 0.000 0.537 534 T N 7.169 121.903 114.554 0.300 0.000 2.747 534 T HA 0.137 nan 4.350 nan 0.000 0.301 534 T C -1.276 173.523 174.700 0.165 0.000 0.952 534 T CA -0.057 62.163 62.100 0.200 0.000 0.983 534 T CB -0.159 68.781 68.868 0.120 0.000 0.930 534 T HN -0.416 7.926 8.240 0.323 0.092 0.494 535 A N 7.508 130.362 122.820 0.057 0.000 2.409 535 A HA 0.500 nan 4.320 nan 0.000 0.262 535 A C -1.068 176.415 177.584 -0.168 0.000 1.113 535 A CA -0.314 51.554 52.037 -0.282 0.000 0.790 535 A CB 0.746 19.613 19.000 -0.221 0.000 1.046 535 A HN 0.225 8.443 8.150 0.113 0.000 0.496 536 V N 4.795 124.598 119.914 -0.186 0.000 2.448 536 V HA 0.264 nan 4.120 nan 0.000 0.295 536 V C -0.988 175.047 176.094 -0.099 0.000 1.025 536 V CA -0.496 61.747 62.300 -0.096 0.000 0.859 536 V CB 1.713 33.525 31.823 -0.020 0.000 0.988 536 V HN 0.702 8.611 8.190 -0.299 0.102 0.431 537 T N 5.656 120.163 114.554 -0.078 0.000 2.754 537 T HA 0.570 nan 4.350 nan 0.000 0.296 537 T C -0.466 174.203 174.700 -0.053 0.000 1.205 537 T CA -1.913 60.146 62.100 -0.069 0.000 1.009 537 T CB 2.146 70.955 68.868 -0.098 0.000 1.368 537 T HN 0.107 8.302 8.240 -0.074 0.000 0.509 538 G N 1.737 110.502 108.800 -0.059 0.000 2.622 538 G HA2 -0.461 nan 3.960 nan 0.000 0.307 538 G HA3 -0.461 nan 3.960 nan 0.000 0.307 538 G C -0.024 174.856 174.900 -0.032 0.000 1.226 538 G CA 1.424 46.492 45.100 -0.052 0.000 0.997 538 G HN 0.341 8.583 8.290 -0.079 0.000 0.551 539 A N 3.430 126.230 122.820 -0.033 0.000 2.032 539 A HA -0.160 nan 4.320 nan 0.000 0.221 539 A C 0.501 178.070 177.584 -0.025 0.000 1.165 539 A CA 2.665 54.686 52.037 -0.027 0.000 0.645 539 A CB -0.637 18.345 19.000 -0.030 0.000 0.807 539 A HN 0.323 8.450 8.150 -0.038 0.000 0.453 540 D N -4.057 116.324 120.400 -0.031 0.000 2.323 540 D HA 0.007 nan 4.640 nan 0.000 0.209 540 D C -0.126 176.165 176.300 -0.015 0.000 0.973 540 D CA 1.858 55.837 54.000 -0.036 0.000 0.874 540 D CB 0.997 41.761 40.800 -0.059 0.000 0.930 540 D HN -0.709 7.599 8.370 -0.035 0.041 0.521 541 I N 1.021 121.599 120.570 0.013 0.000 2.308 541 I HA -0.126 nan 4.170 nan 0.000 0.293 541 I C 0.178 176.319 176.117 0.040 0.000 1.078 541 I CA 0.469 61.801 61.300 0.054 0.000 1.292 541 I CB -0.271 37.824 38.000 0.159 0.000 1.423 541 I HN -0.057 8.002 8.210 0.008 0.155 0.493 542 V N 8.784 128.707 119.914 0.015 0.000 2.548 542 V HA -0.186 nan 4.120 nan 0.000 0.249 542 V C -0.242 175.865 176.094 0.021 0.000 1.055 542 V CA 1.873 64.175 62.300 0.004 0.000 1.065 542 V CB -0.329 31.484 31.823 -0.016 0.000 0.681 542 V HN 0.240 8.432 8.190 0.003 0.000 0.462 543 A N -2.949 119.893 122.820 0.037 0.000 2.606 543 A HA 0.436 nan 4.320 nan 0.000 0.293 543 A C -2.994 174.666 177.584 0.127 0.000 1.082 543 A CA -0.472 51.602 52.037 0.062 0.000 0.685 543 A CB 2.857 21.867 19.000 0.017 0.000 1.284 543 A HN -0.383 7.784 8.150 0.028 0.000 0.408 544 W N 0.438 121.721 121.300 -0.029 0.000 3.544 544 W HA 0.328 nan 4.660 nan 0.000 0.326 544 W C -2.463 174.069 176.519 0.022 0.000 1.137 544 W CA -0.447 56.887 57.345 -0.019 0.000 1.252 544 W CB 2.792 32.229 29.460 -0.038 0.000 1.302 544 W HN 0.116 8.423 8.180 0.211 0.000 0.467 545 E N 3.321 123.639 120.200 0.196 0.000 2.460 545 E HA 0.305 nan 4.350 nan 0.000 0.277 545 E C -0.822 175.905 176.600 0.211 0.000 1.010 545 E CA -1.319 55.233 56.400 0.254 0.000 0.838 545 E CB 2.422 32.198 29.700 0.127 0.000 1.448 545 E HN -0.147 8.172 8.360 -0.068 0.000 0.462 546 D N -0.527 119.973 120.400 0.166 0.000 2.178 546 D HA -0.263 nan 4.640 nan 0.000 0.201 546 D C 0.436 176.676 176.300 -0.101 0.000 0.980 546 D CA 3.204 57.262 54.000 0.096 0.000 0.842 546 D CB 0.156 40.979 40.800 0.038 0.000 0.948 546 D HN 0.485 8.936 8.370 0.135 0.000 0.472 547 T N -10.170 104.351 114.554 -0.055 0.000 3.054 547 T HA 0.116 nan 4.350 nan 0.000 0.255 547 T C -1.031 173.691 174.700 0.037 0.000 1.035 547 T CA -1.103 60.911 62.100 -0.143 0.000 0.941 547 T CB -0.318 68.508 68.868 -0.070 0.000 1.026 547 T HN -0.130 8.101 8.240 0.008 0.014 0.533 548 Q N 0.250 120.145 119.800 0.158 0.000 2.313 548 Q HA 0.530 nan 4.340 nan 0.000 0.260 548 Q C -2.667 173.261 176.000 -0.120 0.000 0.972 548 Q CA 0.142 55.981 55.803 0.059 0.000 0.886 548 Q CB 3.600 32.328 28.738 -0.016 0.000 1.373 548 Q HN -0.547 7.828 8.270 0.175 0.000 0.416 549 I N 1.887 122.262 120.570 -0.326 0.000 2.892 549 I HA 0.819 nan 4.170 nan 0.000 0.306 549 I C -2.723 173.232 176.117 -0.269 0.000 1.078 549 I CA -2.543 58.495 61.300 -0.436 0.000 1.032 549 I CB 3.981 41.395 38.000 -0.976 0.000 1.229 549 I HN 0.613 8.642 8.210 -0.302 0.000 0.435 550 Q N 2.313 122.013 119.800 -0.166 0.000 2.347 550 Q HA 0.812 nan 4.340 nan 0.000 0.271 550 Q C -2.567 173.389 176.000 -0.074 0.000 1.064 550 Q CA -1.360 54.378 55.803 -0.109 0.000 0.800 550 Q CB 4.394 33.091 28.738 -0.068 0.000 1.304 550 Q HN -0.022 8.171 8.270 -0.128 0.000 0.438 551 V N 1.761 121.641 119.914 -0.056 0.000 3.120 551 V HA 0.615 nan 4.120 nan 0.000 0.303 551 V C -2.644 173.440 176.094 -0.015 0.000 1.238 551 V CA -1.806 60.481 62.300 -0.021 0.000 1.008 551 V CB 4.563 36.379 31.823 -0.011 0.000 1.064 551 V HN 0.612 8.769 8.190 -0.055 0.000 0.434 552 K N 5.333 125.706 120.400 -0.044 0.000 2.174 552 K HA 0.419 nan 4.320 nan 0.000 0.275 552 K C -0.379 176.110 176.600 -0.186 0.000 1.015 552 K CA -0.742 55.496 56.287 -0.083 0.000 0.933 552 K CB 1.218 33.666 32.500 -0.086 0.000 1.025 552 K HN 0.185 8.409 8.250 -0.044 0.000 0.463 553 I N 4.909 125.344 120.570 -0.225 0.000 2.533 553 I HA 0.112 nan 4.170 nan 0.000 0.284 553 I C -0.747 175.072 176.117 -0.496 0.000 1.109 553 I CA -1.958 59.039 61.300 -0.505 0.000 1.412 553 I CB -0.146 37.718 38.000 -0.226 0.000 1.396 553 I HN 0.469 8.503 8.210 -0.123 0.102 0.543 554 P HA -0.015 nan 4.420 nan 0.000 0.272 554 P C -1.037 176.067 177.300 -0.327 0.000 1.230 554 P CA -0.587 62.235 63.100 -0.464 0.000 0.788 554 P CB 0.726 32.119 31.700 -0.512 0.000 0.949 555 A N 1.916 124.617 122.820 -0.200 0.000 3.046 555 A HA -0.017 nan 4.320 nan 0.000 0.259 555 A C -0.386 177.137 177.584 -0.101 0.000 1.843 555 A CA -0.218 51.744 52.037 -0.125 0.000 1.451 555 A CB -1.547 17.403 19.000 -0.082 0.000 1.025 555 A HN 0.303 8.345 8.150 -0.180 0.000 0.625 556 V N -2.126 117.701 119.914 -0.145 0.000 2.837 556 V HA 0.368 nan 4.120 nan 0.000 0.310 556 V C -1.787 174.331 176.094 0.040 0.000 1.059 556 V CA -3.403 58.856 62.300 -0.067 0.000 1.004 556 V CB -0.773 30.903 31.823 -0.246 0.000 1.045 556 V HN -0.425 7.599 8.190 -0.206 0.042 0.465 557 P HA -0.016 nan 4.420 nan 0.000 0.267 557 P C -0.960 176.487 177.300 0.245 0.000 1.201 557 P CA 0.135 63.338 63.100 0.172 0.000 0.775 557 P CB 0.864 32.666 31.700 0.171 0.000 0.854 558 G N 0.055 108.953 108.800 0.163 0.000 2.340 558 G HA2 -0.117 nan 3.960 nan 0.000 0.245 558 G HA3 -0.117 nan 3.960 nan 0.000 0.245 558 G C -1.018 174.006 174.900 0.206 0.000 1.294 558 G CA -0.032 45.172 45.100 0.172 0.000 0.896 558 G HN -0.048 8.309 8.290 0.112 0.000 0.522 559 G N 2.789 111.755 108.800 0.277 0.000 2.321 559 G HA2 0.054 nan 3.960 nan 0.000 0.296 559 G HA3 0.054 nan 3.960 nan 0.000 0.296 559 G C -3.141 171.872 174.900 0.188 0.000 1.287 559 G CA -0.221 44.957 45.100 0.130 0.000 0.846 559 G HN -0.451 8.045 8.290 0.344 0.000 0.508 560 I N -3.738 116.828 120.570 -0.007 0.000 2.441 560 I HA 0.921 nan 4.170 nan 0.000 0.295 560 I C -1.739 174.367 176.117 -0.018 0.000 0.994 560 I CA -1.675 59.701 61.300 0.126 0.000 1.144 560 I CB 2.170 40.219 38.000 0.080 0.000 1.314 560 I HN -0.006 8.119 8.210 -0.141 0.000 0.445 561 Y N 4.829 125.291 120.300 0.269 0.000 2.499 561 Y HA 0.222 nan 4.550 nan 0.000 0.347 561 Y C -1.029 174.995 175.900 0.208 0.000 0.987 561 Y CA -1.211 57.041 58.100 0.255 0.000 1.044 561 Y CB 3.937 42.612 38.460 0.359 0.000 1.245 561 Y HN 0.701 9.240 8.280 0.610 0.107 0.461 562 D N 1.316 121.881 120.400 0.275 0.000 2.210 562 D HA 0.500 nan 4.640 nan 0.000 0.249 562 D C -1.247 175.102 176.300 0.081 0.000 1.062 562 D CA 0.369 54.466 54.000 0.162 0.000 0.891 562 D CB 1.828 42.691 40.800 0.106 0.000 1.186 562 D HN 0.251 8.777 8.370 0.261 0.000 0.432 563 I N 1.825 122.389 120.570 -0.009 0.000 2.404 563 I HA 0.498 nan 4.170 nan 0.000 0.293 563 I C -2.106 173.970 176.117 -0.068 0.000 0.992 563 I CA -1.041 60.129 61.300 -0.216 0.000 1.149 563 I CB 2.529 40.289 38.000 -0.401 0.000 1.315 563 I HN 0.721 8.868 8.210 0.076 0.109 0.446 564 R N 6.171 126.648 120.500 -0.038 0.000 2.604 564 R HA 0.670 nan 4.340 nan 0.000 0.281 564 R C -2.436 173.925 176.300 0.102 0.000 1.020 564 R CA -0.946 55.188 56.100 0.055 0.000 0.899 564 R CB 4.049 34.398 30.300 0.082 0.000 1.205 564 R HN -0.017 8.213 8.270 -0.066 0.000 0.450 565 V N 4.892 124.839 119.914 0.055 0.000 2.547 565 V HA 0.756 nan 4.120 nan 0.000 0.299 565 V C -2.208 174.008 176.094 0.203 0.000 1.040 565 V CA -1.819 60.507 62.300 0.044 0.000 0.913 565 V CB 3.752 35.441 31.823 -0.224 0.000 0.992 565 V HN 0.749 8.971 8.190 0.052 0.000 0.449 566 A N 5.597 128.589 122.820 0.288 0.000 2.332 566 A HA 0.704 nan 4.320 nan 0.000 0.300 566 A C -1.904 175.854 177.584 0.290 0.000 1.153 566 A CA -1.985 50.215 52.037 0.272 0.000 0.764 566 A CB 2.089 21.274 19.000 0.308 0.000 1.174 566 A HN 0.623 8.953 8.150 0.300 0.000 0.467 567 N N 3.809 122.685 118.700 0.293 0.000 2.260 567 N HA -0.075 nan 4.740 nan 0.000 0.230 567 N C 1.398 176.932 175.510 0.039 0.000 1.323 567 N CA -0.556 52.660 53.050 0.277 0.000 0.897 567 N CB 0.456 39.114 38.487 0.286 0.000 1.146 567 N HN -0.006 8.526 8.380 0.253 0.000 0.460 568 A N 0.010 122.764 122.820 -0.110 0.000 1.958 568 A HA -0.362 nan 4.320 nan 0.000 0.221 568 A C 0.601 178.151 177.584 -0.058 0.000 1.178 568 A CA 3.006 54.952 52.037 -0.151 0.000 0.642 568 A CB -0.967 17.918 19.000 -0.191 0.000 0.816 568 A HN 0.593 8.653 8.150 -0.151 0.000 0.453 569 A N -3.208 119.605 122.820 -0.013 0.000 2.276 569 A HA -0.043 nan 4.320 nan 0.000 0.212 569 A C 0.428 178.028 177.584 0.026 0.000 1.230 569 A CA -0.357 51.684 52.037 0.007 0.000 0.844 569 A CB -0.767 18.244 19.000 0.018 0.000 0.860 569 A HN -0.283 7.915 8.150 0.002 -0.047 0.486 570 G N -1.648 107.176 108.800 0.041 0.000 2.205 570 G HA2 -0.412 nan 3.960 nan 0.000 0.261 570 G HA3 -0.412 nan 3.960 nan 0.000 0.261 570 G C -0.497 174.448 174.900 0.075 0.000 0.980 570 G CA -0.052 45.084 45.100 0.061 0.000 0.632 570 G HN -0.014 8.116 8.290 0.034 0.181 0.533 571 A N 1.866 124.732 122.820 0.077 0.000 2.451 571 A HA 0.038 nan 4.320 nan 0.000 0.266 571 A C -1.491 176.156 177.584 0.105 0.000 1.119 571 A CA 0.234 52.317 52.037 0.076 0.000 0.786 571 A CB 0.697 19.739 19.000 0.070 0.000 1.061 571 A HN -0.297 8.110 8.150 0.077 -0.210 0.503 572 A N 2.266 125.138 122.820 0.086 0.000 2.293 572 A HA 0.725 nan 4.320 nan 0.000 0.302 572 A C -0.730 176.905 177.584 0.085 0.000 1.119 572 A CA -1.290 50.806 52.037 0.099 0.000 0.823 572 A CB 1.348 20.381 19.000 0.053 0.000 1.097 572 A HN 0.082 8.268 8.150 0.060 0.000 0.491 573 S N 0.172 115.932 115.700 0.101 0.000 2.671 573 S HA 0.246 nan 4.470 nan 0.000 0.272 573 S C 0.130 174.770 174.600 0.066 0.000 1.174 573 S CA -1.087 57.169 58.200 0.093 0.000 1.004 573 S CB 1.477 64.756 63.200 0.131 0.000 1.077 573 S HN 0.464 8.844 8.310 0.116 0.000 0.553 574 N N -0.585 118.157 118.700 0.069 0.000 2.340 574 N HA -0.156 nan 4.740 nan 0.000 0.236 574 N C -0.272 175.292 175.510 0.090 0.000 1.296 574 N CA 0.125 53.218 53.050 0.072 0.000 0.896 574 N CB 0.352 38.891 38.487 0.088 0.000 1.127 574 N HN 0.103 8.525 8.380 0.070 0.000 0.442 575 I N -0.873 119.744 120.570 0.078 0.000 2.395 575 I HA -0.115 nan 4.170 nan 0.000 0.289 575 I C -1.047 175.149 176.117 0.132 0.000 1.023 575 I CA -0.077 61.273 61.300 0.084 0.000 1.350 575 I CB 0.711 38.740 38.000 0.049 0.000 1.409 575 I HN -0.128 8.119 8.210 0.061 0.000 0.507 576 Y N 9.413 129.719 120.300 0.010 0.000 2.342 576 Y HA 0.178 nan 4.550 nan 0.000 0.338 576 Y C -2.014 173.915 175.900 0.048 0.000 0.965 576 Y CA -0.929 57.188 58.100 0.028 0.000 1.159 576 Y CB 1.877 40.339 38.460 0.003 0.000 1.157 576 Y HN 0.795 9.195 8.280 0.200 0.000 0.486 577 D N 4.841 125.246 120.400 0.009 0.000 2.569 577 D HA -0.040 nan 4.640 nan 0.000 0.266 577 D C -0.734 175.644 176.300 0.130 0.000 1.164 577 D CA -1.662 52.392 54.000 0.090 0.000 1.071 577 D CB 1.710 42.530 40.800 0.033 0.000 1.183 577 D HN 0.098 8.347 8.370 -0.202 0.000 0.613 578 N N -2.749 116.041 118.700 0.150 0.000 2.783 578 N HA -0.478 nan 4.740 nan 0.000 0.247 578 N C -1.784 173.846 175.510 0.201 0.000 1.089 578 N CA 0.705 53.837 53.050 0.138 0.000 0.690 578 N CB -0.198 38.331 38.487 0.071 0.000 0.991 578 N HN 0.218 8.683 8.380 0.142 0.000 0.552 579 F N 0.528 120.580 119.950 0.171 0.000 2.408 579 F HA 0.093 nan 4.527 nan 0.000 0.344 579 F C -2.276 173.662 175.800 0.230 0.000 1.112 579 F CA -0.615 57.505 58.000 0.201 0.000 1.096 579 F CB 2.215 41.344 39.000 0.215 0.000 1.129 579 F HN -0.391 8.165 8.300 0.425 0.000 0.486 580 E N 8.050 127.906 120.200 -0.573 0.000 2.133 580 E HA 0.497 nan 4.350 nan 0.000 0.274 580 E C -1.846 174.629 176.600 -0.209 0.000 0.930 580 E CA -1.679 54.601 56.400 -0.200 0.000 0.770 580 E CB 2.858 32.474 29.700 -0.140 0.000 1.104 580 E HN 0.556 8.351 8.360 -0.941 0.000 0.403 581 V N 7.702 127.718 119.914 0.170 0.000 2.368 581 V HA 0.201 nan 4.120 nan 0.000 0.266 581 V C -0.593 175.560 176.094 0.099 0.000 1.045 581 V CA -0.297 62.108 62.300 0.175 0.000 0.899 581 V CB -0.090 31.870 31.823 0.227 0.000 1.006 581 V HN 0.762 9.168 8.190 0.360 0.000 0.470 582 L N 7.759 129.001 121.223 0.032 0.000 2.417 582 L HA 0.017 nan 4.340 nan 0.000 0.268 582 L C 0.686 177.574 176.870 0.030 0.000 1.158 582 L CA 0.724 55.575 54.840 0.018 0.000 0.819 582 L CB 0.350 42.401 42.059 -0.014 0.000 1.112 582 L HN 0.263 8.381 8.230 0.016 0.121 0.458 583 T N 2.060 116.631 114.554 0.029 0.000 2.929 583 T HA -0.154 nan 4.350 nan 0.000 0.271 583 T C -0.184 174.523 174.700 0.011 0.000 1.085 583 T CA 1.508 63.624 62.100 0.026 0.000 1.125 583 T CB 0.097 68.980 68.868 0.023 0.000 0.874 583 T HN 0.279 8.895 8.240 0.030 -0.359 0.494 584 G N -0.648 108.153 108.800 0.003 0.000 2.356 584 G HA2 -0.008 nan 3.960 nan 0.000 0.281 584 G HA3 -0.008 nan 3.960 nan 0.000 0.281 584 G C -2.412 172.482 174.900 -0.010 0.000 1.246 584 G CA 0.140 45.238 45.100 -0.004 0.000 0.889 584 G HN -0.781 7.473 8.290 0.002 0.037 0.486 585 D N 1.845 122.238 120.400 -0.012 0.000 2.368 585 D HA 0.016 nan 4.640 nan 0.000 0.240 585 D C -0.778 175.511 176.300 -0.018 0.000 1.169 585 D CA 1.145 55.135 54.000 -0.018 0.000 0.906 585 D CB 0.740 41.532 40.800 -0.014 0.000 1.187 585 D HN 0.041 8.405 8.370 -0.009 0.000 0.435 586 Q N -1.520 118.264 119.800 -0.028 0.000 2.342 586 Q HA 0.762 nan 4.340 nan 0.000 0.267 586 Q C -0.958 175.040 176.000 -0.005 0.000 1.038 586 Q CA -1.288 54.502 55.803 -0.021 0.000 0.832 586 Q CB 2.607 31.314 28.738 -0.051 0.000 1.323 586 Q HN 0.165 8.413 8.270 -0.038 0.000 0.448 587 V N -3.416 116.515 119.914 0.028 0.000 2.656 587 V HA 0.555 nan 4.120 nan 0.000 0.307 587 V C -1.293 174.863 176.094 0.102 0.000 1.051 587 V CA -2.278 60.059 62.300 0.063 0.000 0.893 587 V CB 2.778 34.642 31.823 0.070 0.000 0.999 587 V HN 0.714 8.926 8.190 0.036 0.000 0.426 588 T N 7.524 122.166 114.554 0.147 0.000 2.737 588 T HA 0.210 nan 4.350 nan 0.000 0.296 588 T C -0.755 174.066 174.700 0.201 0.000 0.922 588 T CA 0.648 62.870 62.100 0.204 0.000 1.079 588 T CB -0.536 68.531 68.868 0.331 0.000 0.892 588 T HN 0.353 8.692 8.240 0.164 0.000 0.514 589 V N 8.244 128.269 119.914 0.184 0.000 2.472 589 V HA 0.437 nan 4.120 nan 0.000 0.290 589 V C -1.564 174.555 176.094 0.042 0.000 1.037 589 V CA -1.235 61.096 62.300 0.051 0.000 0.908 589 V CB 2.484 34.259 31.823 -0.081 0.000 0.985 589 V HN 0.765 9.095 8.190 0.233 0.000 0.454 590 R N 5.925 126.415 120.500 -0.016 0.000 2.265 590 R HA 0.356 nan 4.340 nan 0.000 0.314 590 R C -1.642 174.611 176.300 -0.079 0.000 1.053 590 R CA -1.251 54.912 56.100 0.105 0.000 0.931 590 R CB 1.266 31.662 30.300 0.160 0.000 1.024 590 R HN 0.653 8.895 8.270 -0.047 0.000 0.457 591 F N 6.875 126.921 119.950 0.161 0.000 2.443 591 F HA 0.696 nan 4.527 nan 0.000 0.335 591 F C -1.317 174.593 175.800 0.184 0.000 1.104 591 F CA -0.372 57.731 58.000 0.173 0.000 1.013 591 F CB 2.909 42.062 39.000 0.256 0.000 1.136 591 F HN 0.426 9.049 8.300 0.538 0.000 0.470 592 V N 4.026 124.068 119.914 0.212 0.000 2.525 592 V HA 0.654 nan 4.120 nan 0.000 0.299 592 V C -2.151 173.904 176.094 -0.064 0.000 1.034 592 V CA -1.170 61.100 62.300 -0.051 0.000 0.863 592 V CB 2.555 34.144 31.823 -0.390 0.000 0.999 592 V HN 0.947 9.276 8.190 0.232 0.000 0.423 593 I N 7.349 127.834 120.570 -0.142 0.000 2.465 593 I HA 0.652 nan 4.170 nan 0.000 0.291 593 I C -2.694 173.387 176.117 -0.060 0.000 1.014 593 I CA -2.150 58.989 61.300 -0.268 0.000 1.093 593 I CB 3.873 41.410 38.000 -0.771 0.000 1.267 593 I HN 0.953 9.133 8.210 -0.051 0.000 0.431 594 N N 7.847 126.536 118.700 -0.018 0.000 2.459 594 N HA 0.405 nan 4.740 nan 0.000 0.288 594 N C -0.655 174.897 175.510 0.071 0.000 1.186 594 N CA -1.211 51.858 53.050 0.032 0.000 0.917 594 N CB 1.902 40.404 38.487 0.025 0.000 1.219 594 N HN 0.664 8.923 8.380 -0.026 0.105 0.525 595 N N -3.609 115.117 118.700 0.043 0.000 2.735 595 N HA -0.464 nan 4.740 nan 0.000 0.248 595 N C -1.415 174.110 175.510 0.025 0.000 1.083 595 N CA 1.169 54.233 53.050 0.024 0.000 0.703 595 N CB -1.040 37.483 38.487 0.059 0.000 1.005 595 N HN 0.717 9.106 8.380 0.015 0.000 0.550 596 A N -0.568 122.274 122.820 0.036 0.000 2.880 596 A HA 0.348 nan 4.320 nan 0.000 0.328 596 A C -1.423 176.182 177.584 0.036 0.000 1.440 596 A CA -1.265 50.713 52.037 -0.099 0.000 1.068 596 A CB 0.045 18.996 19.000 -0.081 0.000 1.163 596 A HN 0.079 8.272 8.150 0.105 0.020 0.510 597 T N 0.967 115.468 114.554 -0.089 0.000 2.814 597 T HA 0.259 nan 4.350 nan 0.000 0.297 597 T C -0.108 174.657 174.700 0.108 0.000 0.956 597 T CA -0.925 61.218 62.100 0.072 0.000 1.123 597 T CB -0.482 68.373 68.868 -0.021 0.000 0.902 597 T HN -0.241 7.878 8.240 -0.201 0.000 0.528 598 T N 0.395 115.148 114.554 0.331 0.000 2.938 598 T HA 0.541 nan 4.350 nan 0.000 0.285 598 T C -1.357 173.388 174.700 0.075 0.000 1.028 598 T CA -2.659 59.511 62.100 0.116 0.000 1.005 598 T CB 2.561 71.519 68.868 0.151 0.000 1.157 598 T HN 0.065 8.721 8.240 0.693 0.000 0.550 599 A N -0.762 122.068 122.820 0.016 0.000 2.378 599 A HA 0.494 nan 4.320 nan 0.000 0.293 599 A C -0.065 177.519 177.584 0.001 0.000 1.250 599 A CA -1.905 50.137 52.037 0.008 0.000 0.915 599 A CB 1.236 20.233 19.000 -0.005 0.000 1.402 599 A HN 0.221 8.627 8.150 -0.009 -0.261 0.502 600 L N -4.167 117.055 121.223 -0.002 0.000 2.597 600 L HA -0.114 nan 4.340 nan 0.000 0.271 600 L C 0.591 177.461 176.870 -0.001 0.000 1.157 600 L CA 0.898 55.735 54.840 -0.006 0.000 0.928 600 L CB -0.850 41.207 42.059 -0.004 0.000 1.216 600 L HN -0.070 8.160 8.230 0.000 0.000 0.481 601 G N 2.677 111.478 108.800 0.001 0.000 2.166 601 G HA2 -0.355 nan 3.960 nan 0.000 0.260 601 G HA3 -0.355 nan 3.960 nan 0.000 0.260 601 G C -0.884 174.032 174.900 0.026 0.000 0.986 601 G CA -0.083 45.026 45.100 0.016 0.000 0.683 601 G HN 0.246 8.532 8.290 -0.008 0.000 0.527 602 Q N 0.551 120.360 119.800 0.014 0.000 2.279 602 Q HA -0.048 nan 4.340 nan 0.000 0.256 602 Q C -1.538 174.456 176.000 -0.010 0.000 0.937 602 Q CA -0.201 55.601 55.803 -0.001 0.000 0.933 602 Q CB 0.820 29.541 28.738 -0.027 0.000 1.189 602 Q HN -0.535 7.585 8.270 0.008 0.154 0.417 603 N N 4.349 123.037 118.700 -0.021 0.000 2.328 603 N HA 0.271 nan 4.740 nan 0.000 0.299 603 N C -1.988 173.227 175.510 -0.491 0.000 1.179 603 N CA -0.801 52.109 53.050 -0.235 0.000 0.793 603 N CB 4.154 42.535 38.487 -0.176 0.000 1.366 603 N HN -0.250 8.173 8.380 0.071 0.000 0.493 604 V N 0.294 119.501 119.914 -1.178 0.000 2.617 604 V HA 0.787 nan 4.120 nan 0.000 0.298 604 V C -1.167 174.464 176.094 -0.772 0.000 1.048 604 V CA -0.297 61.479 62.300 -0.873 0.000 0.964 604 V CB 1.615 32.606 31.823 -1.386 0.000 1.004 604 V HN 0.335 7.421 8.190 -1.840 0.000 0.466 605 F N 3.119 122.943 119.950 -0.208 0.000 2.643 605 F HA 0.806 nan 4.527 nan 0.000 0.314 605 F C -2.174 173.638 175.800 0.020 0.000 1.096 605 F CA -1.360 56.559 58.000 -0.135 0.000 0.953 605 F CB 4.793 43.691 39.000 -0.170 0.000 1.345 605 F HN 0.580 8.944 8.300 0.106 0.000 0.468 606 L N -0.065 121.249 121.223 0.151 0.000 2.365 606 L HA 0.806 nan 4.340 nan 0.000 0.273 606 L C -2.354 174.470 176.870 -0.077 0.000 1.000 606 L CA -1.254 53.547 54.840 -0.066 0.000 0.819 606 L CB 3.755 45.660 42.059 -0.257 0.000 1.284 606 L HN 0.582 8.908 8.230 0.159 0.000 0.418 607 T N 7.049 121.552 114.554 -0.085 0.000 2.868 607 T HA 0.720 nan 4.350 nan 0.000 0.306 607 T C -2.183 172.365 174.700 -0.252 0.000 1.224 607 T CA -1.230 60.830 62.100 -0.065 0.000 1.012 607 T CB 3.654 72.613 68.868 0.151 0.000 1.221 607 T HN 0.536 8.722 8.240 -0.091 0.000 0.499 608 G N 1.455 109.928 108.800 -0.545 0.000 2.682 608 G HA2 0.577 nan 3.960 nan 0.000 0.303 608 G HA3 0.577 nan 3.960 nan 0.000 0.303 608 G C -1.916 172.220 174.900 -1.273 0.000 1.341 608 G CA -0.133 44.336 45.100 -1.051 0.000 0.784 608 G HN -0.275 7.772 8.290 -0.406 0.000 0.497 609 N N -2.037 116.047 118.700 -1.027 0.000 2.398 609 N HA -0.039 nan 4.740 nan 0.000 0.188 609 N C 0.421 175.793 175.510 -0.230 0.000 1.122 609 N CA 0.688 53.376 53.050 -0.603 0.000 0.866 609 N CB 0.372 38.777 38.487 -0.138 0.000 0.970 609 N HN 0.229 8.169 8.380 -0.733 0.000 0.462 610 V N -7.696 112.104 119.914 -0.189 0.000 2.966 610 V HA 0.471 nan 4.120 nan 0.000 0.317 610 V C 0.970 177.024 176.094 -0.065 0.000 1.070 610 V CA -2.835 59.419 62.300 -0.077 0.000 1.008 610 V CB 2.274 34.074 31.823 -0.038 0.000 1.070 610 V HN -0.803 7.188 8.190 -0.249 0.050 0.457 611 S N 1.841 117.534 115.700 -0.012 0.000 2.419 611 S HA -0.344 nan 4.470 nan 0.000 0.233 611 S C 2.212 176.814 174.600 0.004 0.000 1.016 611 S CA 3.407 61.610 58.200 0.004 0.000 0.974 611 S CB -0.047 63.176 63.200 0.040 0.000 0.786 611 S HN 0.672 8.988 8.310 0.009 0.000 0.492 612 E N 2.276 122.479 120.200 0.004 0.000 2.209 612 E HA -0.234 nan 4.350 nan 0.000 0.196 612 E C 1.021 177.620 176.600 -0.001 0.000 0.993 612 E CA 2.549 58.960 56.400 0.018 0.000 0.819 612 E CB -0.207 29.506 29.700 0.023 0.000 0.745 612 E HN 0.276 8.624 8.360 0.005 0.016 0.477 613 L N -2.754 118.434 121.223 -0.059 0.000 2.818 613 L HA 0.183 nan 4.340 nan 0.000 0.243 613 L C -0.378 176.438 176.870 -0.091 0.000 1.185 613 L CA -1.679 53.095 54.840 -0.110 0.000 0.988 613 L CB -0.299 41.634 42.059 -0.210 0.000 1.292 613 L HN -0.350 7.681 8.230 -0.075 0.154 0.519 614 G N -1.183 107.594 108.800 -0.039 0.000 2.179 614 G HA2 -0.512 nan 3.960 nan 0.000 0.260 614 G HA3 -0.512 nan 3.960 nan 0.000 0.260 614 G C 0.057 174.956 174.900 -0.001 0.000 0.977 614 G CA 0.352 45.447 45.100 -0.008 0.000 0.641 614 G HN 0.100 8.197 8.290 -0.022 0.180 0.533 615 N N -0.400 118.259 118.700 -0.067 0.000 2.714 615 N HA -0.465 nan 4.740 nan 0.000 0.253 615 N C -0.200 175.375 175.510 0.107 0.000 1.024 615 N CA 1.186 54.199 53.050 -0.061 0.000 0.726 615 N CB -1.022 37.479 38.487 0.023 0.000 0.908 615 N HN -0.426 7.808 8.380 -0.119 0.074 0.542 616 W N -7.805 113.548 121.300 0.089 0.000 2.902 616 W HA -0.518 nan 4.660 nan 0.000 0.278 616 W C -0.523 176.102 176.519 0.176 0.000 1.066 616 W CA 0.834 58.266 57.345 0.146 0.000 0.570 616 W CB -1.442 28.064 29.460 0.076 0.000 2.092 616 W HN -0.023 8.044 8.180 -0.189 0.000 1.423 617 D N 0.239 120.805 120.400 0.277 0.000 2.316 617 D HA 0.358 nan 4.640 nan 0.000 0.245 617 D C -0.579 175.796 176.300 0.124 0.000 1.171 617 D CA -2.769 51.346 54.000 0.192 0.000 0.856 617 D CB 0.488 41.350 40.800 0.102 0.000 1.090 617 D HN -0.543 7.761 8.370 0.188 0.179 0.476 618 P HA -0.237 nan 4.420 nan 0.000 0.216 618 P C 1.037 178.229 177.300 -0.180 0.000 1.150 618 P CA 2.349 65.379 63.100 -0.116 0.000 0.843 618 P CB 0.330 31.938 31.700 -0.153 0.000 0.787 619 N N -4.546 114.095 118.700 -0.098 0.000 2.573 619 N HA -0.182 nan 4.740 nan 0.000 0.187 619 N C 0.591 176.050 175.510 -0.085 0.000 1.107 619 N CA 2.018 55.003 53.050 -0.109 0.000 0.918 619 N CB 0.019 38.473 38.487 -0.056 0.000 0.966 619 N HN -0.294 8.240 8.380 -0.038 -0.177 0.448 620 N N -2.179 116.488 118.700 -0.055 0.000 2.170 620 N HA 0.083 nan 4.740 nan 0.000 0.222 620 N C -1.173 174.329 175.510 -0.014 0.000 1.218 620 N CA -0.390 52.647 53.050 -0.023 0.000 0.889 620 N CB 1.572 40.063 38.487 0.007 0.000 1.083 620 N HN -0.308 7.845 8.380 -0.042 0.201 0.520 621 A N 0.278 123.068 122.820 -0.051 0.000 2.483 621 A HA 0.031 nan 4.320 nan 0.000 0.238 621 A C 0.173 177.821 177.584 0.106 0.000 1.070 621 A CA 0.118 52.152 52.037 -0.005 0.000 0.770 621 A CB 0.834 19.790 19.000 -0.073 0.000 1.008 621 A HN -0.605 7.367 8.150 -0.122 0.105 0.497 622 I N 1.742 122.373 120.570 0.102 0.000 2.533 622 I HA -0.104 nan 4.170 nan 0.000 0.284 622 I C -0.182 175.973 176.117 0.063 0.000 1.109 622 I CA -0.297 61.071 61.300 0.113 0.000 1.412 622 I CB -1.745 36.309 38.000 0.090 0.000 1.396 622 I HN 0.380 8.615 8.210 0.043 0.000 0.543 623 G N 6.314 115.062 108.800 -0.086 0.000 2.356 623 G HA2 -0.085 nan 3.960 nan 0.000 0.288 623 G HA3 -0.085 nan 3.960 nan 0.000 0.288 623 G C -3.169 171.487 174.900 -0.406 0.000 1.302 623 G CA -0.289 44.456 45.100 -0.591 0.000 0.887 623 G HN -0.260 8.042 8.290 0.020 0.000 0.521 624 P HA 0.080 nan 4.420 nan 0.000 0.271 624 P C -1.117 175.686 177.300 -0.830 0.000 1.220 624 P CA -0.411 62.069 63.100 -1.033 0.000 0.768 624 P CB 0.378 31.727 31.700 -0.585 0.000 0.848 625 M N 3.194 122.329 119.600 -0.776 0.000 2.184 625 M HA -0.066 nan 4.480 nan 0.000 0.296 625 M C -0.034 176.254 176.300 -0.020 0.000 1.165 625 M CA 1.889 56.839 55.300 -0.583 0.000 1.175 625 M CB 0.917 33.438 32.600 -0.130 0.000 1.392 625 M HN -0.157 7.639 8.290 -0.823 0.000 0.457 626 Y N -1.200 119.046 120.300 -0.089 0.000 2.458 626 Y HA 0.130 nan 4.550 nan 0.000 0.322 626 Y C -0.207 175.519 175.900 -0.289 0.000 1.259 626 Y CA -1.650 56.280 58.100 -0.283 0.000 1.302 626 Y CB 1.791 39.850 38.460 -0.669 0.000 1.314 626 Y HN 0.325 8.526 8.280 -0.131 0.000 0.509 627 N N -3.691 114.966 118.700 -0.071 0.000 2.093 627 N HA 0.095 nan 4.740 nan 0.000 0.226 627 N C -0.226 175.268 175.510 -0.027 0.000 1.388 627 N CA 0.461 53.433 53.050 -0.130 0.000 0.752 627 N CB 0.327 38.310 38.487 -0.840 0.000 1.240 627 N HN 0.010 8.533 8.380 -0.050 -0.174 0.529 628 Q N -0.534 119.287 119.800 0.035 0.000 2.385 628 Q HA 0.046 nan 4.340 nan 0.000 0.195 628 Q C 0.870 176.825 176.000 -0.075 0.000 0.977 628 Q CA 2.281 58.061 55.803 -0.039 0.000 0.856 628 Q CB 0.949 29.635 28.738 -0.086 0.000 0.986 628 Q HN -0.309 8.432 8.270 0.086 -0.420 0.558 629 V N -1.964 117.876 119.914 -0.122 0.000 2.239 629 V HA -0.140 nan 4.120 nan 0.000 0.242 629 V C 1.257 176.934 176.094 -0.693 0.000 1.038 629 V CA 2.896 64.967 62.300 -0.383 0.000 1.002 629 V CB 0.149 31.739 31.823 -0.389 0.000 0.641 629 V HN -0.384 8.031 8.190 -0.029 -0.242 0.449 630 V N -2.636 116.718 119.914 -0.934 0.000 2.379 630 V HA -0.182 nan 4.120 nan 0.000 0.245 630 V C 0.348 175.867 176.094 -0.960 0.000 1.044 630 V CA 2.477 64.089 62.300 -1.147 0.000 1.036 630 V CB 0.426 31.380 31.823 -1.449 0.000 0.664 630 V HN -0.849 6.877 8.190 -0.773 0.000 0.453 631 Y N -4.811 115.051 120.300 -0.729 0.000 2.545 631 Y HA 0.195 nan 4.550 nan 0.000 0.348 631 Y C -1.744 174.082 175.900 -0.123 0.000 1.002 631 Y CA -1.827 56.092 58.100 -0.301 0.000 1.039 631 Y CB 3.708 42.065 38.460 -0.172 0.000 1.271 631 Y HN -0.429 7.453 8.280 -0.663 0.000 0.467 632 Q N -1.300 118.540 119.800 0.067 0.000 2.306 632 Q HA 0.271 nan 4.340 nan 0.000 0.265 632 Q C -0.974 175.024 176.000 -0.005 0.000 1.022 632 Q CA -1.763 54.049 55.803 0.014 0.000 0.853 632 Q CB 2.204 30.929 28.738 -0.021 0.000 1.327 632 Q HN 0.249 8.568 8.270 0.082 0.000 0.449 633 Y N 6.043 126.233 120.300 -0.183 0.000 2.811 633 Y HA -0.200 nan 4.550 nan 0.000 0.334 633 Y C -1.552 174.292 175.900 -0.092 0.000 1.247 633 Y CA -0.093 57.856 58.100 -0.252 0.000 1.526 633 Y CB 0.256 38.517 38.460 -0.331 0.000 1.284 633 Y HN -0.079 8.214 8.280 0.022 0.000 0.586 634 P HA 0.164 nan 4.420 nan 0.000 0.244 634 P C -1.868 175.368 177.300 -0.107 0.000 1.632 634 P CA -0.253 62.363 63.100 -0.806 0.000 0.944 634 P CB -0.198 31.029 31.700 -0.788 0.000 1.569 635 T N 2.960 117.482 114.554 -0.053 0.000 2.837 635 T HA 0.305 nan 4.350 nan 0.000 0.285 635 T C -1.102 173.684 174.700 0.143 0.000 0.984 635 T CA 1.136 63.294 62.100 0.098 0.000 1.049 635 T CB 0.992 69.909 68.868 0.081 0.000 0.947 635 T HN -0.310 7.683 8.240 -0.113 0.180 0.472 636 W N 4.395 125.724 121.300 0.048 0.000 2.736 636 W HA 0.439 nan 4.660 nan 0.000 0.335 636 W C -1.469 175.125 176.519 0.125 0.000 1.059 636 W CA -1.996 55.413 57.345 0.108 0.000 1.226 636 W CB 3.187 32.657 29.460 0.018 0.000 1.416 636 W HN 0.853 9.244 8.180 0.352 0.000 0.505 637 Y N -3.641 116.822 120.300 0.273 0.000 2.524 637 Y HA 0.844 nan 4.550 nan 0.000 0.347 637 Y C -2.981 173.180 175.900 0.435 0.000 1.005 637 Y CA -2.938 55.301 58.100 0.231 0.000 1.025 637 Y CB 3.077 41.632 38.460 0.159 0.000 1.275 637 Y HN 0.798 9.148 8.280 0.296 0.108 0.460 638 Y N 0.710 121.154 120.300 0.239 0.000 2.436 638 Y HA 0.091 nan 4.550 nan 0.000 0.327 638 Y C -2.308 173.788 175.900 0.325 0.000 1.138 638 Y CA -1.219 56.957 58.100 0.127 0.000 1.042 638 Y CB 4.224 42.695 38.460 0.018 0.000 1.302 638 Y HN 0.634 9.242 8.280 0.546 0.000 0.439 639 D N 6.913 127.343 120.400 0.050 0.000 2.393 639 D HA 0.245 nan 4.640 nan 0.000 0.232 639 D C -0.751 175.613 176.300 0.105 0.000 1.192 639 D CA 0.328 54.434 54.000 0.177 0.000 0.882 639 D CB -0.542 40.412 40.800 0.256 0.000 1.038 639 D HN 0.401 8.645 8.370 -0.210 0.000 0.499 640 V N 5.226 125.306 119.914 0.278 0.000 2.435 640 V HA 0.219 nan 4.120 nan 0.000 0.290 640 V C -0.643 175.592 176.094 0.234 0.000 1.030 640 V CA -2.158 60.298 62.300 0.260 0.000 0.881 640 V CB 2.641 34.643 31.823 0.299 0.000 0.983 640 V HN 0.686 9.119 8.190 0.405 0.000 0.445 641 S N 5.478 121.267 115.700 0.147 0.000 2.488 641 S HA 0.410 nan 4.470 nan 0.000 0.278 641 S C -0.523 174.137 174.600 0.100 0.000 1.259 641 S CA 0.996 59.246 58.200 0.084 0.000 1.061 641 S CB 0.233 63.423 63.200 -0.015 0.000 0.910 641 S HN 0.296 8.689 8.310 0.138 0.000 0.491 642 V N 0.421 120.398 119.914 0.105 0.000 3.040 642 V HA 0.666 nan 4.120 nan 0.000 0.312 642 V C -2.368 173.758 176.094 0.054 0.000 1.115 642 V CA -4.526 57.832 62.300 0.097 0.000 0.998 642 V CB 2.166 34.093 31.823 0.174 0.000 1.042 642 V HN 0.524 8.774 8.190 0.100 0.000 0.433 643 P HA 0.105 nan 4.420 nan 0.000 0.271 643 P C -1.333 175.968 177.300 0.003 0.000 1.220 643 P CA -0.545 62.562 63.100 0.012 0.000 0.768 643 P CB -0.044 31.662 31.700 0.010 0.000 0.848 644 A N 4.073 126.890 122.820 -0.005 0.000 2.401 644 A HA 0.024 nan 4.320 nan 0.000 0.259 644 A C 0.226 177.790 177.584 -0.034 0.000 1.103 644 A CA -0.062 51.964 52.037 -0.018 0.000 0.789 644 A CB -0.114 18.880 19.000 -0.010 0.000 1.035 644 A HN 0.434 8.475 8.150 -0.005 0.107 0.491 645 G N 2.730 111.493 108.800 -0.061 0.000 2.149 645 G HA2 -0.318 nan 3.960 nan 0.000 0.235 645 G HA3 -0.318 nan 3.960 nan 0.000 0.235 645 G C -1.257 173.605 174.900 -0.064 0.000 1.018 645 G CA 0.092 45.154 45.100 -0.064 0.000 0.728 645 G HN -0.068 8.172 8.290 -0.083 0.000 0.508 646 Q N -3.381 116.371 119.800 -0.078 0.000 2.511 646 Q HA 0.272 nan 4.340 nan 0.000 0.289 646 Q C -1.468 174.494 176.000 -0.063 0.000 1.021 646 Q CA -1.948 53.824 55.803 -0.052 0.000 0.785 646 Q CB 2.720 31.447 28.738 -0.018 0.000 1.472 646 Q HN -0.241 7.968 8.270 -0.103 0.000 0.411 647 T N 1.817 116.361 114.554 -0.017 0.000 2.775 647 T HA 0.296 nan 4.350 nan 0.000 0.287 647 T C 0.317 175.069 174.700 0.088 0.000 0.909 647 T CA 0.449 62.568 62.100 0.030 0.000 1.081 647 T CB -1.670 67.228 68.868 0.051 0.000 0.891 647 T HN 0.234 8.471 8.240 -0.006 0.000 0.544 648 I N 2.139 122.789 120.570 0.133 0.000 2.662 648 I HA 0.348 nan 4.170 nan 0.000 0.291 648 I C -1.280 175.026 176.117 0.316 0.000 1.046 648 I CA -1.530 59.873 61.300 0.173 0.000 1.361 648 I CB 1.446 39.542 38.000 0.160 0.000 1.429 648 I HN 0.441 8.721 8.210 0.117 0.000 0.558 649 E N 2.413 122.754 120.200 0.234 0.000 2.187 649 E HA 0.734 nan 4.350 nan 0.000 0.268 649 E C -1.666 175.049 176.600 0.191 0.000 0.896 649 E CA -1.334 55.230 56.400 0.274 0.000 0.766 649 E CB 3.090 32.952 29.700 0.271 0.000 1.142 649 E HN -0.089 8.647 8.360 0.101 -0.315 0.408 650 F N 0.402 120.352 119.950 0.000 0.000 2.685 650 F HA 1.059 nan 4.527 nan 0.000 0.315 650 F C -2.611 173.235 175.800 0.076 0.000 1.126 650 F CA -2.025 55.881 58.000 -0.156 0.000 0.950 650 F CB 3.623 42.471 39.000 -0.254 0.000 1.360 650 F HN 0.651 8.837 8.300 -0.001 0.113 0.469 651 K N -2.738 117.738 120.400 0.125 0.000 2.575 651 K HA 0.350 nan 4.320 nan 0.000 0.279 651 K C -2.308 174.324 176.600 0.053 0.000 0.969 651 K CA -1.116 55.251 56.287 0.134 0.000 0.868 651 K CB 5.073 37.833 32.500 0.433 0.000 1.457 651 K HN 0.419 8.738 8.250 0.116 0.000 0.426 652 F N -1.774 118.292 119.950 0.194 0.000 2.523 652 F HA 0.944 nan 4.527 nan 0.000 0.329 652 F C -1.151 174.762 175.800 0.187 0.000 1.061 652 F CA -1.356 56.758 58.000 0.189 0.000 0.967 652 F CB 2.965 42.093 39.000 0.214 0.000 1.218 652 F HN -0.578 8.089 8.300 0.327 -0.170 0.480 653 L N -5.962 115.480 121.223 0.364 0.000 2.409 653 L HA 0.867 nan 4.340 nan 0.000 0.255 653 L C -2.105 174.888 176.870 0.206 0.000 1.027 653 L CA -1.090 53.855 54.840 0.175 0.000 0.834 653 L CB 3.320 45.079 42.059 -0.501 0.000 1.426 653 L HN 0.761 9.118 8.230 0.382 0.102 0.411 654 K N -1.710 118.744 120.400 0.089 0.000 2.207 654 K HA 0.607 nan 4.320 nan 0.000 0.255 654 K C -1.241 175.330 176.600 -0.048 0.000 0.941 654 K CA -1.069 55.202 56.287 -0.026 0.000 0.825 654 K CB 2.847 35.240 32.500 -0.177 0.000 1.119 654 K HN 0.627 8.930 8.250 0.087 0.000 0.430 655 K N 2.552 122.967 120.400 0.024 0.000 2.450 655 K HA 0.441 nan 4.320 nan 0.000 0.257 655 K C -1.113 175.479 176.600 -0.012 0.000 0.953 655 K CA -0.996 55.239 56.287 -0.086 0.000 0.844 655 K CB 2.352 34.669 32.500 -0.305 0.000 1.103 655 K HN 0.608 8.967 8.250 0.181 0.000 0.429 656 Q N 6.283 126.059 119.800 -0.039 0.000 2.673 656 Q HA 0.146 nan 4.340 nan 0.000 0.224 656 Q C 0.474 176.458 176.000 -0.026 0.000 1.226 656 Q CA -1.326 54.466 55.803 -0.019 0.000 1.019 656 Q CB -1.503 27.224 28.738 -0.018 0.000 1.312 656 Q HN 0.447 8.580 8.270 -0.061 0.100 0.566 657 G N 5.799 114.587 108.800 -0.021 0.000 5.059 657 G HA2 -0.507 nan 3.960 nan 0.000 0.336 657 G HA3 -0.507 nan 3.960 nan 0.000 0.336 657 G C 0.027 174.894 174.900 -0.056 0.000 1.364 657 G CA 1.977 47.060 45.100 -0.028 0.000 1.020 657 G HN 0.001 8.289 8.290 -0.003 0.000 0.807 658 S N 2.434 118.105 115.700 -0.049 0.000 2.666 658 S HA 0.260 nan 4.470 nan 0.000 0.239 658 S C -0.617 173.951 174.600 -0.054 0.000 1.031 658 S CA 0.135 58.301 58.200 -0.056 0.000 1.015 658 S CB 1.867 65.047 63.200 -0.034 0.000 0.981 658 S HN -0.115 8.149 8.310 -0.036 0.025 0.547 659 T N 4.995 119.518 114.554 -0.051 0.000 2.806 659 T HA 0.147 nan 4.350 nan 0.000 0.290 659 T C -1.502 173.148 174.700 -0.083 0.000 0.966 659 T CA 0.034 62.109 62.100 -0.041 0.000 1.060 659 T CB 1.010 69.866 68.868 -0.021 0.000 0.927 659 T HN -0.300 7.798 8.240 -0.047 0.114 0.485 660 V N 4.774 124.634 119.914 -0.090 0.000 2.350 660 V HA 0.338 nan 4.120 nan 0.000 0.285 660 V C -0.494 175.530 176.094 -0.116 0.000 1.014 660 V CA -0.797 61.378 62.300 -0.208 0.000 0.831 660 V CB 0.752 32.384 31.823 -0.318 0.000 1.000 660 V HN 0.494 8.662 8.190 -0.037 0.000 0.433 661 T N 9.176 123.691 114.554 -0.064 0.000 2.738 661 T HA 0.340 nan 4.350 nan 0.000 0.298 661 T C -1.047 173.772 174.700 0.199 0.000 0.962 661 T CA -0.442 61.722 62.100 0.108 0.000 0.972 661 T CB -0.111 68.826 68.868 0.114 0.000 0.928 661 T HN 0.527 8.605 8.240 -0.093 0.106 0.474 662 W N 5.613 127.031 121.300 0.197 0.000 2.303 662 W HA 0.154 nan 4.660 nan 0.000 0.334 662 W C -0.302 176.276 176.519 0.098 0.000 1.197 662 W CA -0.777 56.660 57.345 0.152 0.000 1.262 662 W CB 0.799 30.282 29.460 0.037 0.000 1.153 662 W HN 0.332 8.790 8.180 0.464 0.000 0.596 663 E N 1.735 121.988 120.200 0.088 0.000 2.415 663 E HA -0.221 nan 4.350 nan 0.000 0.262 663 E C 0.045 176.577 176.600 -0.113 0.000 1.038 663 E CA 0.573 56.708 56.400 -0.442 0.000 0.921 663 E CB 0.524 29.855 29.700 -0.614 0.000 0.950 663 E HN -0.259 8.220 8.360 0.199 0.000 0.438 664 G N 1.652 110.366 108.800 -0.144 0.000 2.531 664 G HA2 0.130 nan 3.960 nan 0.000 0.281 664 G HA3 0.130 nan 3.960 nan 0.000 0.281 664 G C -1.284 173.541 174.900 -0.126 0.000 1.382 664 G CA -0.905 44.146 45.100 -0.082 0.000 1.045 664 G HN -0.243 7.730 8.290 -0.205 0.194 0.533 665 G N -2.108 106.636 108.800 -0.094 0.000 2.568 665 G HA2 -0.247 nan 3.960 nan 0.000 0.222 665 G HA3 -0.247 nan 3.960 nan 0.000 0.222 665 G C -1.435 173.403 174.900 -0.104 0.000 1.321 665 G CA -0.313 44.733 45.100 -0.091 0.000 0.893 665 G HN -0.100 8.145 8.290 -0.075 0.000 0.569 666 A N 0.161 122.923 122.820 -0.097 0.000 2.346 666 A HA 0.325 nan 4.320 nan 0.000 0.313 666 A C -0.776 176.744 177.584 -0.106 0.000 1.140 666 A CA -1.224 50.751 52.037 -0.103 0.000 0.826 666 A CB 1.553 20.509 19.000 -0.074 0.000 1.332 666 A HN -0.018 8.079 8.150 -0.089 0.000 0.457 667 N N -0.386 118.257 118.700 -0.094 0.000 2.447 667 N HA -0.133 nan 4.740 nan 0.000 0.263 667 N C -0.390 175.060 175.510 -0.099 0.000 1.226 667 N CA 0.543 53.570 53.050 -0.039 0.000 0.906 667 N CB 0.176 38.713 38.487 0.083 0.000 1.060 667 N HN 0.146 8.464 8.380 -0.103 0.000 0.468 668 R N 2.419 122.740 120.500 -0.299 0.000 2.637 668 R HA 0.144 nan 4.340 nan 0.000 0.269 668 R C -0.900 175.201 176.300 -0.331 0.000 1.089 668 R CA 0.240 56.044 56.100 -0.494 0.000 1.177 668 R CB 1.361 31.000 30.300 -1.101 0.000 1.091 668 R HN 0.446 8.515 8.270 -0.334 0.000 0.540 669 T N 0.576 115.125 114.554 -0.009 0.000 2.916 669 T HA 0.674 nan 4.350 nan 0.000 0.305 669 T C -1.902 173.142 174.700 0.575 0.000 1.119 669 T CA -1.062 61.224 62.100 0.311 0.000 1.008 669 T CB 1.723 70.697 68.868 0.176 0.000 1.129 669 T HN -0.237 8.006 8.240 0.004 0.000 0.480 670 F N 5.872 126.051 119.950 0.381 0.000 2.635 670 F HA 0.321 nan 4.527 nan 0.000 0.314 670 F C -2.940 172.949 175.800 0.149 0.000 1.119 670 F CA -0.600 57.558 58.000 0.264 0.000 1.000 670 F CB 3.031 42.186 39.000 0.259 0.000 1.278 670 F HN 0.252 8.863 8.300 0.518 0.000 0.446 671 T N 7.979 122.288 114.554 -0.410 0.000 2.733 671 T HA 0.268 nan 4.350 nan 0.000 0.294 671 T C -0.739 173.387 174.700 -0.957 0.000 0.956 671 T CA -0.462 61.364 62.100 -0.456 0.000 0.987 671 T CB -0.105 68.639 68.868 -0.206 0.000 0.920 671 T HN -0.147 7.937 8.240 -0.260 0.000 0.470 672 T N 6.035 120.153 114.554 -0.728 0.000 2.926 672 T HA 0.141 nan 4.350 nan 0.000 0.307 672 T C -1.332 173.171 174.700 -0.329 0.000 1.059 672 T CA -2.354 59.378 62.100 -0.613 0.000 1.122 672 T CB -0.661 68.071 68.868 -0.227 0.000 0.972 672 T HN 0.152 8.137 8.240 -0.425 0.000 0.545 673 P HA 0.049 nan 4.420 nan 0.000 0.269 673 P C 0.583 177.855 177.300 -0.047 0.000 1.217 673 P CA -0.762 62.295 63.100 -0.072 0.000 0.783 673 P CB 0.929 32.633 31.700 0.007 0.000 0.898 674 T N -7.004 107.535 114.554 -0.025 0.000 3.035 674 T HA -0.090 nan 4.350 nan 0.000 0.259 674 T C -0.504 174.198 174.700 0.003 0.000 1.078 674 T CA 0.861 62.952 62.100 -0.015 0.000 1.132 674 T CB 0.357 69.217 68.868 -0.013 0.000 0.900 674 T HN 0.266 8.494 8.240 -0.020 0.000 0.480 675 S N -0.518 115.192 115.700 0.017 0.000 2.638 675 S HA 0.253 nan 4.470 nan 0.000 0.274 675 S C -0.409 174.225 174.600 0.056 0.000 1.157 675 S CA -0.584 57.636 58.200 0.035 0.000 0.826 675 S CB 2.896 66.114 63.200 0.030 0.000 1.139 675 S HN -0.796 7.524 8.310 0.017 0.000 0.474 676 G N 0.252 109.102 108.800 0.084 0.000 2.693 676 G HA2 -0.340 nan 3.960 nan 0.000 0.226 676 G HA3 -0.340 nan 3.960 nan 0.000 0.226 676 G C -1.607 173.366 174.900 0.121 0.000 1.354 676 G CA -0.099 45.063 45.100 0.103 0.000 0.873 676 G HN 0.191 8.535 8.290 0.091 0.000 0.562 677 T N -3.894 110.733 114.554 0.122 0.000 2.905 677 T HA 0.763 nan 4.350 nan 0.000 0.283 677 T C -1.670 173.103 174.700 0.122 0.000 1.031 677 T CA -2.302 59.880 62.100 0.136 0.000 1.002 677 T CB 3.068 72.028 68.868 0.153 0.000 1.200 677 T HN -0.273 8.030 8.240 0.105 0.000 0.560 678 A N -3.213 119.682 122.820 0.125 0.000 2.599 678 A HA 0.316 nan 4.320 nan 0.000 0.290 678 A C -2.664 174.930 177.584 0.015 0.000 1.101 678 A CA -0.079 52.033 52.037 0.125 0.000 0.674 678 A CB 2.144 21.329 19.000 0.310 0.000 1.277 678 A HN -0.024 8.197 8.150 0.118 0.000 0.419 679 T N 0.473 114.993 114.554 -0.058 0.000 2.881 679 T HA 0.528 nan 4.350 nan 0.000 0.291 679 T C -1.226 173.305 174.700 -0.282 0.000 0.990 679 T CA -0.106 61.919 62.100 -0.125 0.000 0.976 679 T CB 1.713 70.588 68.868 0.012 0.000 0.970 679 T HN -0.199 8.025 8.240 -0.026 0.000 0.438 680 V N 7.370 126.996 119.914 -0.480 0.000 2.394 680 V HA 0.231 nan 4.120 nan 0.000 0.282 680 V C -1.598 174.423 176.094 -0.121 0.000 1.031 680 V CA -1.545 60.486 62.300 -0.449 0.000 0.881 680 V CB 1.562 32.928 31.823 -0.763 0.000 0.982 680 V HN 0.960 8.731 8.190 -0.530 0.101 0.451 681 N N 6.209 124.888 118.700 -0.035 0.000 2.442 681 N HA 0.497 nan 4.740 nan 0.000 0.274 681 N C -1.662 173.882 175.510 0.056 0.000 1.002 681 N CA 0.075 53.127 53.050 0.003 0.000 0.910 681 N CB 2.142 40.632 38.487 0.005 0.000 1.244 681 N HN 0.013 8.370 8.380 -0.038 0.000 0.492 682 V N 1.876 121.832 119.914 0.070 0.000 3.182 682 V HA 0.588 nan 4.120 nan 0.000 0.308 682 V C -2.037 174.077 176.094 0.035 0.000 1.240 682 V CA -2.445 59.911 62.300 0.093 0.000 1.063 682 V CB 4.499 36.458 31.823 0.227 0.000 1.076 682 V HN 0.728 8.934 8.190 0.027 0.000 0.446 683 N N -1.507 117.222 118.700 0.049 0.000 2.319 683 N HA 0.623 nan 4.740 nan 0.000 0.305 683 N C -1.891 173.676 175.510 0.095 0.000 1.103 683 N CA -0.735 52.354 53.050 0.065 0.000 0.815 683 N CB 2.478 41.009 38.487 0.073 0.000 1.288 683 N HN 0.018 8.434 8.380 0.060 0.000 0.493 684 W N 2.085 123.362 121.300 -0.039 0.000 2.257 684 W HA -0.333 nan 4.660 nan 0.000 0.337 684 W C -1.446 175.090 176.519 0.028 0.000 1.321 684 W CA 1.458 58.795 57.345 -0.013 0.000 1.267 684 W CB 0.618 30.068 29.460 -0.016 0.000 1.187 684 W HN 0.266 8.609 8.180 0.272 0.000 0.565 685 Q N 7.172 126.627 119.800 -0.576 0.000 2.333 685 Q HA 0.428 nan 4.340 nan 0.000 0.265 685 Q C -1.774 173.931 176.000 -0.491 0.000 0.989 685 Q CA -3.296 52.283 55.803 -0.374 0.000 0.842 685 Q CB 1.347 29.913 28.738 -0.287 0.000 1.262 685 Q HN -0.000 7.760 8.270 -1.083 -0.141 0.451 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.201 63.100 0.169 0.000 0.800 686 P CB 0.000 31.817 31.700 0.195 0.000 0.726