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 1jl8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.239 176.300 -0.102 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 L N 6.002 127.167 121.223 -0.096 0.000 2.536 2 L HA 0.129 4.470 4.340 0.001 0.000 0.282 2 L C 1.108 177.853 176.870 -0.207 0.000 1.147 2 L CA -0.079 54.685 54.840 -0.126 0.000 0.936 2 L CB 0.369 42.379 42.059 -0.083 0.000 1.279 2 L HN 0.833 nan 8.230 nan 0.000 0.461 3 L N 2.474 123.489 121.223 -0.348 0.000 2.191 3 L HA -0.148 4.193 4.340 0.001 0.000 0.212 3 L C 2.118 178.694 176.870 -0.489 0.000 1.103 3 L CA 0.738 55.157 54.840 -0.702 0.000 0.769 3 L CB -0.404 41.059 42.059 -0.994 0.000 0.908 3 L HN 0.686 nan 8.230 nan 0.000 0.438 4 E N 0.813 120.870 120.200 -0.237 0.000 2.478 4 E HA -0.088 4.262 4.350 0.001 0.000 0.198 4 E C 1.702 178.295 176.600 -0.011 0.000 1.046 4 E CA 1.013 57.357 56.400 -0.093 0.000 0.870 4 E CB 0.015 29.686 29.700 -0.049 0.000 0.818 4 E HN 0.468 nan 8.360 nan 0.000 0.527 5 A N 0.838 123.648 122.820 -0.017 0.000 2.303 5 A HA 0.263 4.583 4.320 0.001 0.000 0.217 5 A C 0.936 178.592 177.584 0.122 0.000 1.205 5 A CA -0.390 51.715 52.037 0.113 0.000 0.875 5 A CB 0.028 19.106 19.000 0.130 0.000 0.910 5 A HN 0.068 nan 8.150 nan 0.000 0.501 6 I N 0.166 120.749 120.570 0.022 0.000 2.371 6 I HA 0.352 4.522 4.170 0.001 0.000 0.290 6 I C -0.452 175.726 176.117 0.102 0.000 1.028 6 I CA -0.025 61.289 61.300 0.023 0.000 1.345 6 I CB 0.737 38.696 38.000 -0.067 0.000 1.407 6 I HN 0.281 nan 8.210 nan 0.000 0.501 7 F N 6.694 126.591 119.950 -0.088 0.000 2.565 7 F HA 0.616 5.143 4.527 0.001 0.000 0.313 7 F C -0.723 174.990 175.800 -0.144 0.000 1.091 7 F CA -0.281 57.661 58.000 -0.096 0.000 0.915 7 F CB 1.260 40.101 39.000 -0.264 0.000 1.208 7 F HN 0.504 nan 8.300 nan 0.000 0.453 8 H N 3.737 122.108 119.070 -1.165 0.000 3.094 8 H HA 0.378 4.934 4.556 0.001 0.000 0.335 8 H C -1.989 172.719 175.328 -1.033 0.000 1.254 8 H CA -0.549 54.875 56.048 -1.040 0.000 1.240 8 H CB 2.128 31.584 29.762 -0.510 0.000 1.936 8 H HN 0.840 nan 8.280 nan 0.000 0.536 9 E N 1.803 121.116 120.200 -1.478 0.000 2.356 9 E HA 0.485 4.835 4.350 0.001 0.000 0.275 9 E C -0.962 175.230 176.600 -0.680 0.000 0.904 9 E CA -0.853 55.079 56.400 -0.779 0.000 0.757 9 E CB 2.312 31.841 29.700 -0.284 0.000 1.232 9 E HN 0.591 nan 8.360 nan 0.000 0.442 10 A N 3.613 126.309 122.820 -0.207 0.000 3.117 10 A HA 0.180 4.501 4.320 0.001 0.000 0.255 10 A C -0.043 177.675 177.584 0.223 0.000 1.583 10 A CA 0.367 52.480 52.037 0.126 0.000 1.234 10 A CB -0.766 18.399 19.000 0.276 0.000 1.076 10 A HN 0.521 nan 8.150 nan 0.000 0.653 11 K N -2.433 118.063 120.400 0.160 0.000 2.770 11 K HA 0.604 4.925 4.320 0.001 0.000 0.289 11 K C 0.604 177.333 176.600 0.214 0.000 1.051 11 K CA -0.426 55.997 56.287 0.226 0.000 0.814 11 K CB -0.297 32.296 32.500 0.154 0.000 1.512 11 K HN 1.318 nan 8.250 nan 0.000 0.368 12 G N 0.816 109.738 108.800 0.204 0.000 2.622 12 G HA2 -0.350 3.610 3.960 0.001 0.000 0.307 12 G HA3 -0.350 3.610 3.960 0.001 0.000 0.307 12 G C 0.510 175.517 174.900 0.179 0.000 1.226 12 G CA 0.643 45.848 45.100 0.174 0.000 0.997 12 G HN 0.708 nan 8.290 nan 0.000 0.551 13 S N 0.037 115.780 115.700 0.072 0.000 2.577 13 S HA 0.338 4.809 4.470 0.001 0.000 0.219 13 S C 1.140 175.682 174.600 -0.097 0.000 0.962 13 S CA 0.913 59.106 58.200 -0.013 0.000 0.921 13 S CB 0.071 63.138 63.200 -0.223 0.000 0.789 13 S HN 0.478 nan 8.310 nan 0.000 0.497 14 Y N 1.184 121.598 120.300 0.190 0.000 2.442 14 Y HA 0.570 5.121 4.550 0.001 0.000 0.250 14 Y C 0.803 176.686 175.900 -0.029 0.000 1.113 14 Y CA -0.541 57.587 58.100 0.048 0.000 1.273 14 Y CB 0.597 38.969 38.460 -0.147 0.000 1.138 14 Y HN 0.204 nan 8.280 nan 0.000 0.522 15 A N 0.342 123.234 122.820 0.120 0.000 2.550 15 A HA 0.636 4.956 4.320 0.001 0.000 0.282 15 A C -1.817 175.773 177.584 0.010 0.000 1.071 15 A CA -0.532 51.497 52.037 -0.014 0.000 0.838 15 A CB -0.225 18.845 19.000 0.117 0.000 1.361 15 A HN 0.232 nan 8.150 nan 0.000 0.408 16 Y N -0.108 120.106 120.300 -0.145 0.000 2.552 16 Y HA 0.804 5.355 4.550 0.001 0.000 0.337 16 Y C -3.527 172.259 175.900 -0.189 0.000 1.094 16 Y CA -3.084 54.942 58.100 -0.123 0.000 1.028 16 Y CB 0.866 39.333 38.460 0.012 0.000 1.321 16 Y HN 0.318 nan 8.280 nan 0.000 0.456 17 P HA 0.302 nan 4.420 nan 0.000 0.275 17 P C 0.568 177.945 177.300 0.128 0.000 1.227 17 P CA -0.189 62.903 63.100 -0.014 0.000 0.781 17 P CB 0.969 32.701 31.700 0.053 0.000 0.906 18 I N -0.394 120.196 120.570 0.034 0.000 4.082 18 I HA 0.344 4.515 4.170 0.001 0.000 0.337 18 I C 0.036 176.176 176.117 0.038 0.000 1.352 18 I CA -0.110 61.231 61.300 0.068 0.000 1.097 18 I CB 0.297 38.309 38.000 0.020 0.000 1.048 18 I HN 0.301 nan 8.210 nan 0.000 0.393 19 S N -0.403 115.308 115.700 0.018 0.000 2.643 19 S HA 0.196 4.667 4.470 0.001 0.000 0.266 19 S C 0.191 174.790 174.600 -0.001 0.000 1.130 19 S CA -0.327 57.881 58.200 0.013 0.000 0.817 19 S CB 1.254 64.451 63.200 -0.006 0.000 1.107 19 S HN 0.254 nan 8.310 nan 0.000 0.471 20 E N -0.251 119.947 120.200 -0.002 0.000 2.472 20 E HA 0.038 4.388 4.350 0.001 0.000 0.200 20 E C 0.596 177.156 176.600 -0.066 0.000 1.046 20 E CA 1.351 57.736 56.400 -0.026 0.000 0.871 20 E CB -0.062 29.625 29.700 -0.020 0.000 0.806 20 E HN 0.648 nan 8.360 nan 0.000 0.533 21 T N -0.598 113.921 114.554 -0.059 0.000 3.058 21 T HA 0.161 4.511 4.350 0.001 0.000 0.278 21 T C -0.486 174.160 174.700 -0.089 0.000 0.974 21 T CA -0.263 61.793 62.100 -0.072 0.000 0.893 21 T CB 0.640 69.478 68.868 -0.050 0.000 1.138 21 T HN 0.020 nan 8.240 nan 0.000 0.529 22 Q N 1.295 121.036 119.800 -0.098 0.000 2.330 22 Q HA 0.640 4.980 4.340 0.001 0.000 0.269 22 Q C -1.590 174.294 176.000 -0.194 0.000 1.022 22 Q CA -0.588 55.134 55.803 -0.135 0.000 0.796 22 Q CB 2.768 31.448 28.738 -0.096 0.000 1.271 22 Q HN 0.151 nan 8.270 nan 0.000 0.450 23 L N 2.663 123.712 121.223 -0.290 0.000 2.319 23 L HA 0.507 4.848 4.340 0.001 0.000 0.281 23 L C -0.882 175.724 176.870 -0.440 0.000 1.005 23 L CA -0.385 54.214 54.840 -0.402 0.000 0.828 23 L CB 1.149 42.905 42.059 -0.505 0.000 1.227 23 L HN 0.496 nan 8.230 nan 0.000 0.415 24 R N 3.605 123.807 120.500 -0.498 0.000 2.390 24 R HA 0.691 5.031 4.340 0.001 0.000 0.291 24 R C -1.503 174.489 176.300 -0.514 0.000 1.070 24 R CA -0.367 55.420 56.100 -0.522 0.000 1.014 24 R CB 1.065 30.944 30.300 -0.702 0.000 1.007 24 R HN 0.545 nan 8.270 nan 0.000 0.466 25 V N 4.618 124.361 119.914 -0.285 0.000 2.656 25 V HA 0.529 4.650 4.120 0.001 0.000 0.307 25 V C -0.361 175.817 176.094 0.139 0.000 1.051 25 V CA -0.858 61.407 62.300 -0.059 0.000 0.893 25 V CB 1.842 33.626 31.823 -0.065 0.000 0.999 25 V HN 0.761 nan 8.190 nan 0.000 0.426 26 R N 2.593 123.278 120.500 0.308 0.000 2.803 26 R HA 0.878 5.218 4.340 0.001 0.000 0.276 26 R C -1.587 175.042 176.300 0.548 0.000 0.978 26 R CA -0.536 55.812 56.100 0.413 0.000 0.939 26 R CB 2.053 32.571 30.300 0.363 0.000 1.179 26 R HN 0.709 nan 8.270 nan 0.000 0.472 27 L N 1.555 123.024 121.223 0.409 0.000 2.445 27 L HA 0.604 4.945 4.340 0.001 0.000 0.262 27 L C -1.321 175.670 176.870 0.201 0.000 0.974 27 L CA -0.630 54.311 54.840 0.170 0.000 0.822 27 L CB 1.812 43.791 42.059 -0.134 0.000 1.339 27 L HN 0.604 nan 8.230 nan 0.000 0.409 28 R N 3.554 124.081 120.500 0.045 0.000 2.637 28 R HA 0.946 5.286 4.340 0.001 0.000 0.291 28 R C -1.551 174.743 176.300 -0.010 0.000 0.963 28 R CA -0.170 55.873 56.100 -0.095 0.000 0.901 28 R CB 2.009 32.170 30.300 -0.231 0.000 1.160 28 R HN 0.794 nan 8.270 nan 0.000 0.457 29 A N 2.931 125.775 122.820 0.041 0.000 2.599 29 A HA 0.330 4.651 4.320 0.001 0.000 0.290 29 A C -1.485 176.239 177.584 0.232 0.000 1.101 29 A CA -0.883 51.258 52.037 0.173 0.000 0.674 29 A CB 1.297 20.413 19.000 0.194 0.000 1.277 29 A HN 0.722 nan 8.150 nan 0.000 0.419 30 K N 0.921 121.407 120.400 0.143 0.000 2.489 30 K HA 0.044 4.364 4.320 0.001 0.000 0.278 30 K C 0.040 176.619 176.600 -0.035 0.000 1.000 30 K CA 0.164 56.434 56.287 -0.029 0.000 1.012 30 K CB 0.270 32.736 32.500 -0.056 0.000 0.903 30 K HN 0.594 nan 8.250 nan 0.000 0.485 31 K N 2.316 122.650 120.400 -0.110 0.000 2.453 31 K HA -0.049 4.271 4.320 0.001 0.000 0.280 31 K C 0.498 177.085 176.600 -0.021 0.000 1.045 31 K CA 1.248 57.498 56.287 -0.061 0.000 1.059 31 K CB 0.009 32.458 32.500 -0.084 0.000 0.901 31 K HN 0.862 nan 8.250 nan 0.000 0.475 32 G N 3.625 112.440 108.800 0.025 0.000 2.136 32 G HA2 -0.239 3.722 3.960 0.001 0.000 0.242 32 G HA3 -0.239 3.722 3.960 0.001 0.000 0.242 32 G C 0.340 175.269 174.900 0.050 0.000 0.989 32 G CA 0.372 45.498 45.100 0.042 0.000 0.682 32 G HN 0.787 nan 8.290 nan 0.000 0.522 33 D N -0.950 119.490 120.400 0.068 0.000 2.262 33 D HA 0.270 4.911 4.640 0.001 0.000 0.212 33 D C 1.197 177.546 176.300 0.081 0.000 0.964 33 D CA 0.832 54.866 54.000 0.056 0.000 0.875 33 D CB 0.473 41.296 40.800 0.039 0.000 0.996 33 D HN 0.300 nan 8.370 nan 0.000 0.497 34 V N 1.558 121.568 119.914 0.160 0.000 2.398 34 V HA 0.151 4.271 4.120 0.001 0.000 0.286 34 V C 1.372 177.564 176.094 0.162 0.000 1.026 34 V CA -0.445 61.931 62.300 0.127 0.000 0.868 34 V CB 1.842 33.718 31.823 0.089 0.000 0.982 34 V HN 0.031 nan 8.190 nan 0.000 0.443 35 V N 2.777 122.726 119.914 0.059 0.000 2.575 35 V HA 0.283 4.403 4.120 0.001 0.000 0.242 35 V C 0.693 176.803 176.094 0.026 0.000 1.045 35 V CA 0.526 62.872 62.300 0.076 0.000 1.065 35 V CB -0.509 31.341 31.823 0.045 0.000 0.717 35 V HN 0.893 nan 8.190 nan 0.000 0.467 36 R N -0.416 120.034 120.500 -0.082 0.000 2.651 36 R HA 0.724 5.064 4.340 0.001 0.000 0.278 36 R C -1.686 174.457 176.300 -0.262 0.000 1.010 36 R CA -0.304 55.713 56.100 -0.139 0.000 0.896 36 R CB 1.466 31.733 30.300 -0.055 0.000 1.211 36 R HN 0.197 nan 8.270 nan 0.000 0.456 37 C N 2.239 121.330 119.300 -0.349 0.000 2.344 37 C HA 0.490 4.951 4.460 0.001 0.000 0.326 37 C C -0.479 174.477 174.990 -0.055 0.000 1.201 37 C CA -0.180 58.658 59.018 -0.300 0.000 1.410 37 C CB 0.758 28.067 27.740 -0.718 0.000 2.070 37 C HN 1.050 nan 8.230 nan 0.000 0.445 38 E N 3.841 124.059 120.200 0.029 0.000 2.207 38 E HA 0.769 5.119 4.350 0.001 0.000 0.270 38 E C -1.384 175.295 176.600 0.131 0.000 0.927 38 E CA -0.551 55.899 56.400 0.083 0.000 0.799 38 E CB 1.977 31.707 29.700 0.051 0.000 1.172 38 E HN 0.608 nan 8.360 nan 0.000 0.404 39 V N 4.774 124.755 119.914 0.110 0.000 2.487 39 V HA 0.353 4.473 4.120 0.001 0.000 0.298 39 V C -0.391 175.761 176.094 0.098 0.000 1.028 39 V CA -0.801 61.501 62.300 0.004 0.000 0.860 39 V CB 1.181 32.922 31.823 -0.137 0.000 0.991 39 V HN 0.584 nan 8.190 nan 0.000 0.427 40 L N 6.474 127.727 121.223 0.050 0.000 2.287 40 L HA 0.711 5.052 4.340 0.001 0.000 0.287 40 L C -0.580 176.322 176.870 0.053 0.000 1.022 40 L CA -0.556 54.266 54.840 -0.030 0.000 0.814 40 L CB 0.846 42.893 42.059 -0.019 0.000 1.217 40 L HN 0.830 nan 8.230 nan 0.000 0.420 41 Y N 1.951 122.183 120.300 -0.114 0.000 2.677 41 Y HA 0.970 5.521 4.550 0.001 0.000 0.334 41 Y C -0.683 175.182 175.900 -0.059 0.000 1.154 41 Y CA -1.126 56.945 58.100 -0.049 0.000 1.070 41 Y CB 1.880 40.307 38.460 -0.056 0.000 1.294 41 Y HN 0.669 nan 8.280 nan 0.000 0.475 42 A N 0.765 123.672 122.820 0.145 0.000 2.544 42 A HA 0.413 4.734 4.320 0.001 0.000 0.291 42 A C -1.874 175.793 177.584 0.140 0.000 1.055 42 A CA -0.593 51.473 52.037 0.048 0.000 0.651 42 A CB 0.668 19.644 19.000 -0.041 0.000 1.296 42 A HN 0.911 nan 8.150 nan 0.000 0.431 43 D N -0.282 120.187 120.400 0.114 0.000 2.419 43 D HA 0.179 4.820 4.640 0.001 0.000 0.236 43 D C 1.245 177.641 176.300 0.161 0.000 1.165 43 D CA 0.279 54.368 54.000 0.148 0.000 0.882 43 D CB 0.583 41.464 40.800 0.136 0.000 1.201 43 D HN 0.440 nan 8.370 nan 0.000 0.443 44 R N 1.683 122.314 120.500 0.219 0.000 2.241 44 R HA -0.139 4.202 4.340 0.001 0.000 0.224 44 R C 0.606 176.892 176.300 -0.024 0.000 1.101 44 R CA 0.969 57.143 56.100 0.124 0.000 0.995 44 R CB -0.070 30.325 30.300 0.160 0.000 0.870 44 R HN 0.588 nan 8.270 nan 0.000 0.463 45 Y N -0.643 119.681 120.300 0.041 0.000 2.481 45 Y HA 0.354 4.905 4.550 0.000 0.000 0.247 45 Y C 0.777 176.685 175.900 0.014 0.000 1.151 45 Y CA -0.823 57.293 58.100 0.026 0.000 1.238 45 Y CB 0.171 38.649 38.460 0.030 0.000 1.179 45 Y HN -0.059 nan 8.280 nan 0.000 0.524 46 A N 0.443 123.339 122.820 0.126 0.000 2.555 46 A HA 0.191 4.512 4.320 0.001 0.000 0.233 46 A C 0.830 178.431 177.584 0.030 0.000 1.060 46 A CA 0.211 52.286 52.037 0.065 0.000 0.759 46 A CB 0.051 19.072 19.000 0.035 0.000 0.995 46 A HN 0.218 nan 8.150 nan 0.000 0.506 47 S N 1.701 117.414 115.700 0.020 0.000 2.580 47 S HA 0.337 4.807 4.470 0.001 0.000 0.274 47 S C -1.466 173.127 174.600 -0.012 0.000 1.329 47 S CA -1.114 57.089 58.200 0.005 0.000 1.036 47 S CB 0.431 63.635 63.200 0.006 0.000 0.919 47 S HN 0.486 nan 8.310 nan 0.000 0.515 48 P HA -0.074 nan 4.420 nan 0.000 0.223 48 P C 0.816 178.099 177.300 -0.028 0.000 1.144 48 P CA 0.811 63.893 63.100 -0.031 0.000 0.783 48 P CB 0.168 31.847 31.700 -0.033 0.000 0.771 49 E N -0.166 120.022 120.200 -0.020 0.000 2.112 49 E HA -0.034 4.316 4.350 0.001 0.000 0.190 49 E C 0.572 177.160 176.600 -0.020 0.000 0.979 49 E CA 0.496 56.885 56.400 -0.018 0.000 0.814 49 E CB -0.577 29.116 29.700 -0.012 0.000 0.762 49 E HN 0.476 nan 8.360 nan 0.000 0.460 50 E N 1.655 121.842 120.200 -0.022 0.000 2.481 50 E HA -0.015 4.335 4.350 0.001 0.000 0.263 50 E C 0.024 176.599 176.600 -0.043 0.000 0.992 50 E CA 0.162 56.545 56.400 -0.029 0.000 0.938 50 E CB 0.432 30.115 29.700 -0.028 0.000 0.933 50 E HN -0.023 nan 8.360 nan 0.000 0.453 51 E N 2.151 122.323 120.200 -0.047 0.000 2.366 51 E HA 0.135 4.486 4.350 0.001 0.000 0.266 51 E C -0.765 175.762 176.600 -0.121 0.000 1.051 51 E CA -0.194 56.170 56.400 -0.060 0.000 0.884 51 E CB 0.583 30.262 29.700 -0.035 0.000 1.006 51 E HN 0.293 nan 8.360 nan 0.000 0.417 52 L N 2.207 123.327 121.223 -0.172 0.000 2.439 52 L HA 0.544 4.884 4.340 0.001 0.000 0.259 52 L C 0.460 177.027 176.870 -0.505 0.000 1.129 52 L CA -1.019 53.647 54.840 -0.290 0.000 0.803 52 L CB 1.007 42.913 42.059 -0.255 0.000 1.161 52 L HN 0.587 nan 8.230 nan 0.000 0.462 53 A N 0.405 122.823 122.820 -0.670 0.000 2.287 53 A HA 0.474 4.794 4.320 0.001 0.000 0.273 53 A C -0.600 176.452 177.584 -0.887 0.000 1.091 53 A CA -0.360 51.171 52.037 -0.842 0.000 0.817 53 A CB 0.302 18.503 19.000 -1.333 0.000 1.069 53 A HN 0.712 nan 8.150 nan 0.000 0.492 54 H N -0.479 118.453 119.070 -0.231 0.000 2.572 54 H HA 0.670 5.227 4.556 0.000 0.000 0.359 54 H C -0.557 174.832 175.328 0.101 0.000 1.134 54 H CA -0.018 56.006 56.048 -0.038 0.000 1.187 54 H CB 2.002 31.751 29.762 -0.022 0.000 1.597 54 H HN 0.840 nan 8.280 nan 0.000 0.524 55 A N 3.296 126.277 122.820 0.268 0.000 2.402 55 A HA 0.348 4.669 4.320 0.001 0.000 0.291 55 A C -1.242 176.427 177.584 0.142 0.000 1.051 55 A CA -0.622 51.541 52.037 0.210 0.000 0.716 55 A CB 1.110 20.229 19.000 0.198 0.000 1.223 55 A HN 0.488 nan 8.150 nan 0.000 0.425 56 L N 3.080 124.370 121.223 0.111 0.000 2.261 56 L HA 0.654 4.994 4.340 0.001 0.000 0.289 56 L C 0.548 177.479 176.870 0.101 0.000 1.059 56 L CA 0.185 55.080 54.840 0.091 0.000 0.816 56 L CB 1.065 43.165 42.059 0.069 0.000 1.191 56 L HN 0.798 nan 8.230 nan 0.000 0.431 57 A N 4.835 127.727 122.820 0.120 0.000 2.415 57 A HA 0.594 4.915 4.320 0.001 0.000 0.309 57 A C 0.660 178.382 177.584 0.230 0.000 1.356 57 A CA 0.009 52.150 52.037 0.174 0.000 0.998 57 A CB -0.500 18.645 19.000 0.242 0.000 1.145 57 A HN 0.835 nan 8.150 nan 0.000 0.545 58 G N 1.392 110.321 108.800 0.214 0.000 2.544 58 G HA2 0.332 4.292 3.960 0.001 0.000 0.242 58 G HA3 0.332 4.292 3.960 0.001 0.000 0.242 58 G C 0.179 175.296 174.900 0.362 0.000 1.247 58 G CA -0.559 44.692 45.100 0.251 0.000 0.840 58 G HN 0.824 nan 8.290 nan 0.000 0.578 59 K N 1.020 121.647 120.400 0.377 0.000 2.363 59 K HA 0.333 4.653 4.320 0.001 0.000 0.289 59 K C 1.186 177.850 176.600 0.107 0.000 1.063 59 K CA 0.141 56.544 56.287 0.195 0.000 0.967 59 K CB 0.436 33.007 32.500 0.118 0.000 0.987 59 K HN 0.406 nan 8.250 nan 0.000 0.473 60 A N 3.798 126.669 122.820 0.086 0.000 2.169 60 A HA 0.240 4.560 4.320 0.001 0.000 0.212 60 A C 0.780 178.407 177.584 0.071 0.000 1.153 60 A CA 0.970 53.058 52.037 0.086 0.000 0.756 60 A CB -0.082 18.970 19.000 0.086 0.000 0.813 60 A HN 0.899 nan 8.150 nan 0.000 0.471 61 G N -2.213 106.630 108.800 0.072 0.000 2.337 61 G HA2 0.491 4.452 3.960 0.001 0.000 0.298 61 G HA3 0.491 4.452 3.960 0.001 0.000 0.298 61 G C -1.009 173.980 174.900 0.149 0.000 1.335 61 G CA 0.015 45.173 45.100 0.097 0.000 0.875 61 G HN 1.111 nan 8.290 nan 0.000 0.579 62 S N -0.319 115.477 115.700 0.159 0.000 2.537 62 S HA 0.772 5.242 4.470 0.001 0.000 0.271 62 S C -1.079 173.618 174.600 0.161 0.000 1.148 62 S CA -0.354 57.954 58.200 0.179 0.000 0.868 62 S CB 2.494 65.734 63.200 0.066 0.000 1.115 62 S HN 1.295 nan 8.310 nan 0.000 0.461 63 D N 0.223 120.742 120.400 0.199 0.000 2.723 63 D HA 0.367 5.007 4.640 0.001 0.000 0.247 63 D C 1.036 177.369 176.300 0.055 0.000 1.134 63 D CA -0.748 53.331 54.000 0.131 0.000 1.099 63 D CB -0.186 40.742 40.800 0.213 0.000 1.287 63 D HN 0.559 nan 8.370 nan 0.000 0.634 64 E N -0.857 119.361 120.200 0.029 0.000 2.169 64 E HA -0.249 4.102 4.350 0.001 0.000 0.202 64 E C 1.337 177.890 176.600 -0.078 0.000 1.016 64 E CA 1.858 58.246 56.400 -0.020 0.000 0.817 64 E CB 0.190 29.880 29.700 -0.018 0.000 0.736 64 E HN 0.371 nan 8.360 nan 0.000 0.462 65 R N -2.430 117.990 120.500 -0.133 0.000 2.635 65 R HA 0.194 4.534 4.340 0.001 0.000 0.241 65 R C -0.417 175.550 176.300 -0.555 0.000 0.941 65 R CA -0.251 55.620 56.100 -0.381 0.000 1.014 65 R CB 0.727 30.672 30.300 -0.592 0.000 1.517 65 R HN -0.035 nan 8.270 nan 0.000 0.594 66 F N 0.942 120.843 119.950 -0.082 0.000 2.523 66 F HA 0.380 4.908 4.527 0.000 0.000 0.329 66 F C 0.281 175.913 175.800 -0.280 0.000 1.061 66 F CA -0.911 56.957 58.000 -0.220 0.000 0.967 66 F CB 1.229 39.996 39.000 -0.388 0.000 1.218 66 F HN -0.313 nan 8.300 nan 0.000 0.480 67 D N 0.589 120.894 120.400 -0.159 0.000 2.185 67 D HA 0.261 4.901 4.640 0.001 0.000 0.247 67 D C -1.364 174.615 176.300 -0.535 0.000 1.027 67 D CA -0.205 53.619 54.000 -0.293 0.000 0.861 67 D CB 1.632 42.227 40.800 -0.342 0.000 1.202 67 D HN 0.317 nan 8.370 nan 0.000 0.453 68 Y N 1.329 121.441 120.300 -0.315 0.000 2.328 68 Y HA 0.366 4.917 4.550 0.001 0.000 0.336 68 Y C -0.258 175.433 175.900 -0.348 0.000 0.960 68 Y CA -0.832 57.141 58.100 -0.212 0.000 1.134 68 Y CB 0.943 39.380 38.460 -0.038 0.000 1.166 68 Y HN 0.157 nan 8.280 nan 0.000 0.464 69 F N 1.642 121.730 119.950 0.230 0.000 2.450 69 F HA 0.508 5.035 4.527 0.001 0.000 0.332 69 F C 0.094 176.007 175.800 0.188 0.000 1.093 69 F CA -1.150 56.955 58.000 0.175 0.000 1.003 69 F CB 1.723 40.799 39.000 0.128 0.000 1.151 69 F HN 0.378 nan 8.300 nan 0.000 0.474 70 E N 1.395 121.794 120.200 0.332 0.000 2.256 70 E HA 0.778 5.129 4.350 0.001 0.000 0.268 70 E C -1.575 175.124 176.600 0.165 0.000 0.877 70 E CA -0.699 55.828 56.400 0.211 0.000 0.757 70 E CB 1.868 31.650 29.700 0.136 0.000 1.183 70 E HN 0.765 nan 8.360 nan 0.000 0.418 71 A N 3.668 126.552 122.820 0.107 0.000 2.435 71 A HA 0.734 5.055 4.320 0.001 0.000 0.296 71 A C -1.794 175.746 177.584 -0.074 0.000 1.147 71 A CA -0.739 51.322 52.037 0.041 0.000 0.775 71 A CB 1.692 20.729 19.000 0.063 0.000 1.340 71 A HN 0.481 nan 8.150 nan 0.000 0.427 72 L N 1.731 122.890 121.223 -0.107 0.000 2.457 72 L HA 0.496 4.837 4.340 0.001 0.000 0.266 72 L C -1.905 174.820 176.870 -0.242 0.000 0.979 72 L CA -0.418 54.320 54.840 -0.170 0.000 0.857 72 L CB 0.840 42.839 42.059 -0.099 0.000 1.213 72 L HN 0.613 nan 8.230 nan 0.000 0.418 73 L N 4.765 125.737 121.223 -0.418 0.000 2.292 73 L HA 0.392 4.732 4.340 0.001 0.000 0.284 73 L C 0.487 177.097 176.870 -0.434 0.000 1.065 73 L CA 0.016 54.439 54.840 -0.696 0.000 0.806 73 L CB 1.039 42.477 42.059 -1.035 0.000 1.175 73 L HN 0.438 nan 8.230 nan 0.000 0.431 74 E N 2.785 122.830 120.200 -0.258 0.000 2.130 74 E HA 0.271 4.621 4.350 0.001 0.000 0.284 74 E C -1.018 175.589 176.600 0.012 0.000 1.018 74 E CA -0.142 56.230 56.400 -0.048 0.000 0.817 74 E CB 1.154 30.900 29.700 0.077 0.000 1.078 74 E HN 0.444 nan 8.360 nan 0.000 0.396 75 C N 2.619 121.892 119.300 -0.045 0.000 2.521 75 C HA 0.164 4.624 4.460 0.001 0.000 0.291 75 C C 1.700 176.679 174.990 -0.018 0.000 1.074 75 C CA -0.681 58.331 59.018 -0.009 0.000 1.495 75 C CB -0.430 27.272 27.740 -0.063 0.000 1.862 75 C HN 0.729 nan 8.230 nan 0.000 0.418 76 S N 0.932 116.637 115.700 0.009 0.000 2.428 76 S HA -0.152 4.319 4.470 0.001 0.000 0.230 76 S C 1.606 176.194 174.600 -0.020 0.000 1.014 76 S CA 1.641 59.837 58.200 -0.007 0.000 0.957 76 S CB -0.594 62.609 63.200 0.006 0.000 0.784 76 S HN 0.844 nan 8.310 nan 0.000 0.499 77 T N -0.942 113.608 114.554 -0.008 0.000 3.067 77 T HA 0.244 4.595 4.350 0.001 0.000 0.261 77 T C 0.720 175.376 174.700 -0.073 0.000 1.110 77 T CA 0.542 62.635 62.100 -0.012 0.000 1.113 77 T CB -0.562 68.325 68.868 0.031 0.000 0.917 77 T HN 0.431 nan 8.240 nan 0.000 0.499 78 K N -0.156 120.172 120.400 -0.119 0.000 3.467 78 K HA -0.133 4.187 4.320 0.001 0.000 0.309 78 K C -0.313 176.134 176.600 -0.255 0.000 1.350 78 K CA 0.657 56.778 56.287 -0.277 0.000 0.934 78 K CB -0.962 31.220 32.500 -0.530 0.000 1.312 78 K HN 0.521 nan 8.250 nan 0.000 0.461 79 R N -0.050 120.430 120.500 -0.034 0.000 2.686 79 R HA 0.731 5.071 4.340 0.001 0.000 0.283 79 R C -1.319 175.073 176.300 0.152 0.000 0.978 79 R CA -0.904 55.267 56.100 0.118 0.000 0.897 79 R CB 2.856 33.285 30.300 0.214 0.000 1.192 79 R HN -0.035 nan 8.270 nan 0.000 0.457 80 V N 2.083 122.124 119.914 0.211 0.000 3.000 80 V HA 0.536 4.657 4.120 0.001 0.000 0.300 80 V C -1.995 174.275 176.094 0.293 0.000 1.251 80 V CA -0.739 61.689 62.300 0.214 0.000 0.972 80 V CB 2.302 34.194 31.823 0.114 0.000 1.065 80 V HN 0.840 nan 8.190 nan 0.000 0.431 81 K N 5.758 126.325 120.400 0.278 0.000 2.371 81 K HA 0.895 5.215 4.320 0.001 0.000 0.251 81 K C -1.237 175.556 176.600 0.321 0.000 0.934 81 K CA -0.591 55.842 56.287 0.242 0.000 0.798 81 K CB 1.890 34.437 32.500 0.079 0.000 1.204 81 K HN 0.969 nan 8.250 nan 0.000 0.427 82 Y N -1.667 118.639 120.300 0.011 0.000 2.689 82 Y HA 0.778 5.328 4.550 0.000 0.000 0.333 82 Y C -1.666 174.154 175.900 -0.134 0.000 1.208 82 Y CA -1.554 56.510 58.100 -0.060 0.000 1.055 82 Y CB 1.300 39.681 38.460 -0.132 0.000 1.304 82 Y HN 0.474 nan 8.280 nan 0.000 0.455 83 V N 1.730 121.576 119.914 -0.114 0.000 3.007 83 V HA 0.640 4.760 4.120 0.001 0.000 0.311 83 V C -1.785 174.200 176.094 -0.182 0.000 1.120 83 V CA -1.206 60.990 62.300 -0.173 0.000 0.980 83 V CB 2.244 34.039 31.823 -0.046 0.000 1.033 83 V HN 0.724 nan 8.190 nan 0.000 0.429 84 F N 4.638 124.625 119.950 0.062 0.000 2.422 84 F HA 0.687 5.214 4.527 0.000 0.000 0.333 84 F C -0.213 175.613 175.800 0.043 0.000 1.095 84 F CA -0.543 57.515 58.000 0.097 0.000 1.038 84 F CB 1.870 40.968 39.000 0.163 0.000 1.156 84 F HN 0.348 nan 8.300 nan 0.000 0.483 85 L N 4.942 126.254 121.223 0.149 0.000 2.316 85 L HA 0.578 4.918 4.340 0.001 0.000 0.280 85 L C -1.405 175.447 176.870 -0.030 0.000 1.006 85 L CA -0.383 54.387 54.840 -0.117 0.000 0.836 85 L CB 0.803 42.734 42.059 -0.213 0.000 1.221 85 L HN 0.443 nan 8.230 nan 0.000 0.418 86 L N 4.423 125.629 121.223 -0.028 0.000 2.322 86 L HA 0.679 5.019 4.340 0.001 0.000 0.281 86 L C -0.106 176.735 176.870 -0.049 0.000 1.014 86 L CA -0.453 54.372 54.840 -0.025 0.000 0.815 86 L CB 1.859 43.949 42.059 0.051 0.000 1.247 86 L HN 0.497 nan 8.230 nan 0.000 0.421 87 T N 1.245 115.759 114.554 -0.066 0.000 2.807 87 T HA 0.588 4.938 4.350 0.001 0.000 0.279 87 T C 0.341 175.028 174.700 -0.022 0.000 0.993 87 T CA -0.584 61.490 62.100 -0.043 0.000 0.970 87 T CB 1.819 70.659 68.868 -0.048 0.000 0.950 87 T HN 0.746 nan 8.240 nan 0.000 0.441 88 G N 2.499 111.296 108.800 -0.005 0.000 2.511 88 G HA2 0.510 4.471 3.960 0.001 0.000 0.316 88 G HA3 0.510 4.471 3.960 0.001 0.000 0.316 88 G C -1.396 173.511 174.900 0.012 0.000 1.210 88 G CA -1.686 43.419 45.100 0.007 0.000 0.969 88 G HN 0.393 nan 8.290 nan 0.000 0.492 89 P HA -0.164 nan 4.420 nan 0.000 0.214 89 P C 0.874 178.182 177.300 0.013 0.000 1.163 89 P CA 1.361 64.472 63.100 0.019 0.000 0.889 89 P CB 0.129 31.842 31.700 0.020 0.000 0.790 90 Q N -0.504 119.302 119.800 0.010 0.000 2.452 90 Q HA 0.304 4.644 4.340 0.001 0.000 0.214 90 Q C 1.427 177.432 176.000 0.008 0.000 0.966 90 Q CA 0.824 56.632 55.803 0.008 0.000 0.964 90 Q CB -1.065 27.676 28.738 0.006 0.000 0.992 90 Q HN 0.363 nan 8.270 nan 0.000 0.517 91 G N 0.254 109.058 108.800 0.007 0.000 2.212 91 G HA2 -0.346 3.615 3.960 0.001 0.000 0.266 91 G HA3 -0.346 3.615 3.960 0.001 0.000 0.266 91 G C -0.387 174.517 174.900 0.006 0.000 0.978 91 G CA 0.276 45.380 45.100 0.006 0.000 0.632 91 G HN 0.501 nan 8.290 nan 0.000 0.537 92 E N 0.647 120.852 120.200 0.008 0.000 2.344 92 E HA 0.659 5.010 4.350 0.001 0.000 0.270 92 E C 0.388 176.994 176.600 0.010 0.000 1.021 92 E CA 0.292 56.701 56.400 0.014 0.000 0.887 92 E CB 1.035 30.744 29.700 0.015 0.000 0.997 92 E HN 1.109 nan 8.360 nan 0.000 0.429 93 A N 2.669 125.497 122.820 0.014 0.000 2.354 93 A HA 0.795 5.115 4.320 0.001 0.000 0.321 93 A C -0.859 176.744 177.584 0.031 0.000 1.125 93 A CA -0.811 51.220 52.037 -0.010 0.000 0.799 93 A CB 1.284 20.251 19.000 -0.055 0.000 1.293 93 A HN 0.442 nan 8.150 nan 0.000 0.452 94 V N 0.142 120.068 119.914 0.020 0.000 3.048 94 V HA 0.374 4.494 4.120 0.001 0.000 0.303 94 V C -1.663 174.508 176.094 0.128 0.000 1.214 94 V CA -0.695 61.698 62.300 0.154 0.000 0.984 94 V CB 1.566 33.525 31.823 0.227 0.000 1.054 94 V HN 0.800 nan 8.190 nan 0.000 0.430 95 Y N 2.313 122.708 120.300 0.160 0.000 2.334 95 Y HA 0.646 5.197 4.550 0.000 0.000 0.328 95 Y C -0.353 175.638 175.900 0.152 0.000 1.130 95 Y CA -0.843 57.341 58.100 0.140 0.000 1.163 95 Y CB 1.518 40.015 38.460 0.062 0.000 1.207 95 Y HN 0.652 nan 8.280 nan 0.000 0.471 96 F N 2.621 122.601 119.950 0.051 0.000 2.460 96 F HA 0.773 5.300 4.527 0.000 0.000 0.341 96 F C -0.018 175.668 175.800 -0.189 0.000 1.130 96 F CA -0.371 57.466 58.000 -0.272 0.000 0.962 96 F CB 0.799 39.643 39.000 -0.260 0.000 1.171 96 F HN 0.615 nan 8.300 nan 0.000 0.436 97 G N 3.799 112.212 108.800 -0.646 0.000 3.022 97 G HA2 0.152 4.112 3.960 0.001 0.000 0.284 97 G HA3 0.152 4.112 3.960 0.001 0.000 0.284 97 G C -0.122 173.868 174.900 -1.517 0.000 1.375 97 G CA -0.494 43.972 45.100 -1.056 0.000 0.902 97 G HN 0.643 nan 8.290 nan 0.000 0.538 98 E N -1.008 118.260 120.200 -1.554 0.000 2.110 98 E HA -0.136 4.215 4.350 0.001 0.000 0.193 98 E C 2.277 178.587 176.600 -0.483 0.000 0.988 98 E CA 1.731 57.473 56.400 -1.096 0.000 0.804 98 E CB -0.004 29.318 29.700 -0.631 0.000 0.745 98 E HN 0.446 nan 8.360 nan 0.000 0.458 99 T N -0.363 113.964 114.554 -0.377 0.000 2.821 99 T HA 0.095 4.445 4.350 0.001 0.000 0.267 99 T C 0.780 175.421 174.700 -0.099 0.000 1.046 99 T CA 0.882 62.871 62.100 -0.184 0.000 1.139 99 T CB 0.203 68.980 68.868 -0.152 0.000 0.871 99 T HN 0.455 nan 8.240 nan 0.000 0.454 100 G N 0.065 108.786 108.800 -0.133 0.000 2.332 100 G HA2 0.309 4.269 3.960 0.001 0.000 0.265 100 G HA3 0.309 4.269 3.960 0.001 0.000 0.265 100 G C -1.842 173.047 174.900 -0.018 0.000 1.329 100 G CA -1.161 43.956 45.100 0.028 0.000 0.949 100 G HN 0.128 nan 8.290 nan 0.000 0.476 101 F N 1.094 121.148 119.950 0.173 0.000 2.421 101 F HA 0.841 5.368 4.527 0.000 0.000 0.337 101 F C 0.809 176.676 175.800 0.112 0.000 1.105 101 F CA -0.010 58.090 58.000 0.167 0.000 1.049 101 F CB 2.161 41.210 39.000 0.081 0.000 1.139 101 F HN 0.592 nan 8.300 nan 0.000 0.479 102 S N 0.569 116.438 115.700 0.283 0.000 2.567 102 S HA 0.630 5.100 4.470 0.001 0.000 0.270 102 S C 0.142 174.883 174.600 0.234 0.000 1.152 102 S CA -0.021 58.292 58.200 0.189 0.000 0.835 102 S CB 1.212 64.464 63.200 0.086 0.000 1.115 102 S HN 0.752 nan 8.310 nan 0.000 0.459 103 A N 1.477 124.404 122.820 0.178 0.000 2.072 103 A HA 0.270 4.591 4.320 0.001 0.000 0.216 103 A C 0.711 178.358 177.584 0.106 0.000 1.156 103 A CA 0.579 52.751 52.037 0.225 0.000 0.701 103 A CB -0.323 18.763 19.000 0.143 0.000 0.816 103 A HN 0.741 nan 8.150 nan 0.000 0.458 104 E N 0.158 120.340 120.200 -0.031 0.000 2.194 104 E HA 0.203 4.554 4.350 0.001 0.000 0.284 104 E C 0.868 177.227 176.600 -0.403 0.000 1.035 104 E CA -0.490 55.796 56.400 -0.189 0.000 0.836 104 E CB 0.567 30.204 29.700 -0.104 0.000 1.070 104 E HN 0.368 nan 8.360 nan 0.000 0.401 105 R N 2.680 122.706 120.500 -0.789 0.000 2.237 105 R HA -0.116 4.224 4.340 0.001 0.000 0.219 105 R C 1.576 177.651 176.300 -0.375 0.000 1.080 105 R CA 1.745 57.288 56.100 -0.929 0.000 0.995 105 R CB 0.118 29.829 30.300 -0.981 0.000 0.875 105 R HN 0.572 nan 8.270 nan 0.000 0.462 106 S N -0.319 115.221 115.700 -0.267 0.000 2.427 106 S HA 0.024 4.494 4.470 0.001 0.000 0.224 106 S C 1.632 176.147 174.600 -0.140 0.000 1.047 106 S CA 0.177 58.274 58.200 -0.172 0.000 0.953 106 S CB 0.048 63.168 63.200 -0.133 0.000 0.824 106 S HN 0.230 nan 8.310 nan 0.000 0.502 107 K N 1.493 121.819 120.400 -0.123 0.000 2.360 107 K HA 0.169 4.489 4.320 0.001 0.000 0.201 107 K C 2.107 178.661 176.600 -0.077 0.000 1.046 107 K CA 0.848 57.087 56.287 -0.080 0.000 0.945 107 K CB -0.329 32.142 32.500 -0.048 0.000 0.750 107 K HN 0.547 nan 8.250 nan 0.000 0.464 108 A N 1.166 123.926 122.820 -0.100 0.000 2.016 108 A HA 0.173 4.494 4.320 0.001 0.000 0.217 108 A C 1.128 178.592 177.584 -0.201 0.000 1.162 108 A CA 1.085 53.063 52.037 -0.098 0.000 0.662 108 A CB -0.386 18.594 19.000 -0.033 0.000 0.812 108 A HN 0.400 nan 8.150 nan 0.000 0.450 109 G N -2.039 106.641 108.800 -0.200 0.000 2.632 109 G HA2 0.097 4.057 3.960 0.001 0.000 0.224 109 G HA3 0.097 4.057 3.960 0.001 0.000 0.224 109 G C -0.266 174.441 174.900 -0.321 0.000 1.341 109 G CA 0.069 45.020 45.100 -0.249 0.000 0.880 109 G HN 1.665 nan 8.290 nan 0.000 0.566 110 V N -0.385 119.296 119.914 -0.388 0.000 2.924 110 V HA 0.662 4.782 4.120 0.001 0.000 0.300 110 V C -0.496 175.308 176.094 -0.483 0.000 1.227 110 V CA -0.999 61.050 62.300 -0.418 0.000 0.954 110 V CB 1.514 33.195 31.823 -0.238 0.000 1.055 110 V HN 1.041 nan 8.190 nan 0.000 0.429 111 F N 3.744 123.352 119.950 -0.571 0.000 2.382 111 F HA 0.578 5.106 4.527 0.001 0.000 0.331 111 F C 0.600 176.154 175.800 -0.411 0.000 1.121 111 F CA 0.155 57.810 58.000 -0.575 0.000 1.183 111 F CB 1.146 39.587 39.000 -0.932 0.000 1.207 111 F HN 0.435 nan 8.300 nan 0.000 0.555 112 Q N 1.498 121.362 119.800 0.107 0.000 2.323 112 Q HA 0.245 4.585 4.340 0.001 0.000 0.271 112 Q C -1.855 174.324 176.000 0.299 0.000 1.048 112 Q CA -0.904 55.007 55.803 0.180 0.000 0.792 112 Q CB 2.182 30.970 28.738 0.083 0.000 1.280 112 Q HN 0.593 nan 8.270 nan 0.000 0.441 113 Y N 2.200 122.645 120.300 0.242 0.000 2.593 113 Y HA 0.376 4.926 4.550 0.000 0.000 0.331 113 Y C 0.764 176.771 175.900 0.179 0.000 0.986 113 Y CA -0.130 58.090 58.100 0.201 0.000 1.262 113 Y CB 0.553 39.115 38.460 0.170 0.000 1.098 113 Y HN 0.920 nan 8.280 nan 0.000 0.506 114 A N 5.099 127.910 122.820 -0.016 0.000 1.894 114 A HA -0.225 4.096 4.320 0.001 0.000 0.220 114 A C -0.119 177.619 177.584 0.257 0.000 1.237 114 A CA 2.382 54.480 52.037 0.102 0.000 0.660 114 A CB -0.670 18.361 19.000 0.051 0.000 0.835 114 A HN 0.762 nan 8.150 nan 0.000 0.461 115 Y N -3.381 116.951 120.300 0.054 0.000 2.677 115 Y HA 0.557 5.108 4.550 0.000 0.000 0.334 115 Y C -1.515 174.502 175.900 0.196 0.000 1.196 115 Y CA -1.098 57.071 58.100 0.115 0.000 1.059 115 Y CB 1.095 39.598 38.460 0.072 0.000 1.315 115 Y HN 0.108 nan 8.280 nan 0.000 0.455 116 I N 4.608 125.015 120.570 -0.272 0.000 2.390 116 I HA 0.258 4.428 4.170 0.001 0.000 0.283 116 I C -1.166 174.923 176.117 -0.047 0.000 1.016 116 I CA -0.562 60.747 61.300 0.015 0.000 1.151 116 I CB 0.773 38.747 38.000 -0.043 0.000 1.293 116 I HN 0.580 nan 8.210 nan 0.000 0.458 117 H N 5.170 124.375 119.070 0.225 0.000 2.580 117 H HA 0.319 4.876 4.556 0.001 0.000 0.322 117 H C 1.063 176.469 175.328 0.130 0.000 1.082 117 H CA -0.501 55.681 56.048 0.222 0.000 1.383 117 H CB 1.107 30.994 29.762 0.209 0.000 1.450 117 H HN 0.308 nan 8.280 nan 0.000 0.505 118 R N 1.496 122.102 120.500 0.177 0.000 2.139 118 R HA -0.147 4.194 4.340 0.001 0.000 0.243 118 R C 1.892 178.269 176.300 0.129 0.000 1.145 118 R CA 1.563 57.736 56.100 0.121 0.000 0.976 118 R CB -0.452 29.900 30.300 0.086 0.000 0.866 118 R HN 0.732 nan 8.270 nan 0.000 0.449 119 S N 0.026 115.819 115.700 0.155 0.000 2.481 119 S HA -0.050 4.421 4.470 0.001 0.000 0.231 119 S C 1.070 175.728 174.600 0.096 0.000 0.996 119 S CA 0.689 58.954 58.200 0.108 0.000 0.942 119 S CB 0.050 63.306 63.200 0.093 0.000 0.768 119 S HN 0.371 nan 8.310 nan 0.000 0.520 120 E N 0.944 121.232 120.200 0.146 0.000 2.451 120 E HA 0.206 4.557 4.350 0.001 0.000 0.194 120 E C -0.906 175.785 176.600 0.151 0.000 1.027 120 E CA -0.212 56.266 56.400 0.131 0.000 0.914 120 E CB 0.910 30.711 29.700 0.167 0.000 1.054 120 E HN 0.349 nan 8.360 nan 0.000 0.461 121 V N 1.964 121.961 119.914 0.139 0.000 2.385 121 V HA 0.116 4.236 4.120 0.001 0.000 0.269 121 V C 0.042 176.242 176.094 0.178 0.000 1.043 121 V CA -0.560 61.836 62.300 0.160 0.000 0.906 121 V CB 0.104 32.004 31.823 0.128 0.000 0.995 121 V HN 0.225 nan 8.190 nan 0.000 0.467 122 F N 4.310 124.285 119.950 0.043 0.000 2.539 122 F HA 0.046 4.573 4.527 0.000 0.000 0.393 122 F C 0.711 176.512 175.800 0.001 0.000 1.032 122 F CA 0.736 58.739 58.000 0.005 0.000 1.120 122 F CB 0.238 39.212 39.000 -0.044 0.000 1.014 122 F HN 0.507 nan 8.300 nan 0.000 0.546 123 T N 4.286 119.036 114.554 0.326 0.000 2.809 123 T HA 0.333 4.683 4.350 0.001 0.000 0.284 123 T C -0.103 174.721 174.700 0.207 0.000 0.992 123 T CA -0.646 61.590 62.100 0.226 0.000 0.957 123 T CB 1.341 70.275 68.868 0.110 0.000 0.942 123 T HN 0.659 nan 8.240 nan 0.000 0.439 124 T N 1.352 116.014 114.554 0.180 0.000 2.932 124 T HA 0.692 5.043 4.350 0.001 0.000 0.289 124 T C -2.919 171.784 174.700 0.005 0.000 1.039 124 T CA -2.555 59.608 62.100 0.104 0.000 1.024 124 T CB 1.035 69.960 68.868 0.096 0.000 1.090 124 T HN 0.127 nan 8.240 nan 0.000 0.496 125 P HA 0.186 nan 4.420 nan 0.000 0.264 125 P C 0.840 178.024 177.300 -0.194 0.000 1.193 125 P CA -0.122 62.907 63.100 -0.117 0.000 0.763 125 P CB 0.501 32.055 31.700 -0.243 0.000 0.810 126 E N 2.826 122.999 120.200 -0.046 0.000 2.085 126 E HA -0.173 4.178 4.350 0.001 0.000 0.194 126 E C 1.720 178.307 176.600 -0.020 0.000 0.994 126 E CA 1.412 57.803 56.400 -0.016 0.000 0.801 126 E CB -0.361 29.374 29.700 0.058 0.000 0.743 126 E HN 0.709 nan 8.360 nan 0.000 0.453 127 W N 0.292 121.595 121.300 0.005 0.000 2.465 127 W HA 0.154 4.814 4.660 0.001 0.000 0.268 127 W C 1.627 178.152 176.519 0.010 0.000 1.242 127 W CA 0.854 58.197 57.345 -0.004 0.000 1.248 127 W CB -0.750 28.703 29.460 -0.012 0.000 1.118 127 W HN -0.029 nan 8.180 nan 0.000 0.587 128 A N 1.767 124.067 122.820 -0.867 0.000 2.066 128 A HA -0.127 4.193 4.320 0.001 0.000 0.218 128 A C 2.107 179.519 177.584 -0.286 0.000 1.157 128 A CA 1.433 53.011 52.037 -0.764 0.000 0.670 128 A CB -0.509 17.994 19.000 -0.828 0.000 0.804 128 A HN 0.350 nan 8.150 nan 0.000 0.453 129 K N 0.168 120.449 120.400 -0.199 0.000 2.155 129 K HA -0.116 4.204 4.320 0.001 0.000 0.203 129 K C 1.142 177.699 176.600 -0.073 0.000 1.052 129 K CA 1.438 57.651 56.287 -0.122 0.000 0.948 129 K CB -0.039 32.402 32.500 -0.099 0.000 0.728 129 K HN 0.827 nan 8.250 nan 0.000 0.448 130 E N 0.390 120.581 120.200 -0.016 0.000 2.569 130 E HA 0.309 4.659 4.350 0.001 0.000 0.205 130 E C -0.332 176.341 176.600 0.122 0.000 1.006 130 E CA -0.485 55.943 56.400 0.046 0.000 0.985 130 E CB 0.769 30.507 29.700 0.063 0.000 1.060 130 E HN 0.085 nan 8.360 nan 0.000 0.460 131 A N 0.667 123.540 122.820 0.088 0.000 2.271 131 A HA 0.554 4.874 4.320 0.001 0.000 0.288 131 A C -0.266 177.353 177.584 0.058 0.000 1.094 131 A CA -0.550 51.577 52.037 0.151 0.000 0.828 131 A CB 1.328 20.464 19.000 0.225 0.000 1.091 131 A HN 0.147 nan 8.150 nan 0.000 0.493 132 V N 3.058 123.018 119.914 0.078 0.000 2.419 132 V HA 0.238 4.358 4.120 0.001 0.000 0.287 132 V C -0.611 175.474 176.094 -0.014 0.000 1.017 132 V CA -0.420 61.877 62.300 -0.006 0.000 0.844 132 V CB 1.084 32.923 31.823 0.028 0.000 1.011 132 V HN 0.681 nan 8.190 nan 0.000 0.429 133 I N 4.175 124.651 120.570 -0.156 0.000 2.581 133 I HA 0.340 4.510 4.170 0.001 0.000 0.288 133 I C -0.525 175.578 176.117 -0.024 0.000 1.047 133 I CA -0.352 60.837 61.300 -0.186 0.000 1.374 133 I CB 0.903 38.502 38.000 -0.669 0.000 1.423 133 I HN 0.612 nan 8.210 nan 0.000 0.549 134 Y N 4.611 124.858 120.300 -0.089 0.000 2.326 134 Y HA 0.278 4.828 4.550 0.000 0.000 0.329 134 Y C 0.125 176.006 175.900 -0.031 0.000 0.973 134 Y CA -0.702 57.374 58.100 -0.039 0.000 1.162 134 Y CB 1.341 39.770 38.460 -0.052 0.000 1.147 134 Y HN 0.597 nan 8.280 nan 0.000 0.456 135 Q N 6.532 126.203 119.800 -0.214 0.000 2.307 135 Q HA 0.471 4.812 4.340 0.001 0.000 0.259 135 Q C -1.388 174.431 176.000 -0.303 0.000 0.998 135 Q CA -0.150 55.602 55.803 -0.085 0.000 0.923 135 Q CB 0.555 29.427 28.738 0.223 0.000 1.196 135 Q HN 0.770 nan 8.270 nan 0.000 0.416 136 I N 4.653 124.954 120.570 -0.448 0.000 2.404 136 I HA 0.266 4.436 4.170 0.001 0.000 0.293 136 I C -0.844 175.066 176.117 -0.346 0.000 0.992 136 I CA -0.734 60.244 61.300 -0.537 0.000 1.149 136 I CB 1.288 38.759 38.000 -0.882 0.000 1.315 136 I HN 0.674 nan 8.210 nan 0.000 0.446 137 F N 8.670 128.320 119.950 -0.500 0.000 2.291 137 F HA 0.342 4.869 4.527 0.001 0.000 0.368 137 F C -1.667 174.001 175.800 -0.220 0.000 1.085 137 F CA -2.041 55.755 58.000 -0.341 0.000 1.165 137 F CB 1.020 39.855 39.000 -0.275 0.000 1.429 137 F HN 0.353 nan 8.300 nan 0.000 0.503 138 P HA -0.300 nan 4.420 nan 0.000 0.222 138 P C 1.452 178.765 177.300 0.022 0.000 1.159 138 P CA 1.450 64.447 63.100 -0.172 0.000 0.920 138 P CB 0.218 31.486 31.700 -0.720 0.000 0.793 139 E N -1.239 118.903 120.200 -0.097 0.000 2.267 139 E HA -0.179 4.171 4.350 0.001 0.000 0.197 139 E C 1.553 178.259 176.600 0.178 0.000 0.998 139 E CA 1.196 57.676 56.400 0.134 0.000 0.830 139 E CB -0.130 29.567 29.700 -0.006 0.000 0.751 139 E HN 0.049 nan 8.360 nan 0.000 0.491 140 R N -1.930 118.620 120.500 0.084 0.000 2.509 140 R HA 0.219 4.559 4.340 0.001 0.000 0.297 140 R C 1.372 177.827 176.300 0.259 0.000 0.951 140 R CA -0.187 55.979 56.100 0.110 0.000 1.103 140 R CB -0.111 30.243 30.300 0.090 0.000 1.283 140 R HN 0.090 nan 8.270 nan 0.000 0.534 141 F N 0.042 120.085 119.950 0.154 0.000 2.123 141 F HA 0.356 4.883 4.527 0.001 0.000 0.289 141 F C 0.192 176.375 175.800 0.639 0.000 1.099 141 F CA 0.732 58.883 58.000 0.250 0.000 1.234 141 F CB 0.425 39.497 39.000 0.120 0.000 1.034 141 F HN -0.051 nan 8.300 nan 0.000 0.479 142 A N 0.631 123.670 122.820 0.365 0.000 2.500 142 A HA 0.341 4.661 4.320 0.001 0.000 0.291 142 A C -1.672 175.876 177.584 -0.060 0.000 1.048 142 A CA -0.604 51.423 52.037 -0.017 0.000 0.791 142 A CB 0.275 19.138 19.000 -0.228 0.000 1.309 142 A HN 0.280 nan 8.150 nan 0.000 0.397 143 N N 2.032 120.538 118.700 -0.323 0.000 2.645 143 N HA 0.405 5.146 4.740 0.001 0.000 0.233 143 N C 1.078 176.481 175.510 -0.179 0.000 1.058 143 N CA 0.467 53.452 53.050 -0.109 0.000 0.942 143 N CB 0.920 39.412 38.487 0.007 0.000 1.210 143 N HN 0.661 nan 8.380 nan 0.000 0.512 144 G N 1.389 110.122 108.800 -0.111 0.000 2.880 144 G HA2 -0.066 3.895 3.960 0.001 0.000 0.209 144 G HA3 -0.066 3.895 3.960 0.001 0.000 0.209 144 G C -0.074 174.779 174.900 -0.079 0.000 1.157 144 G CA 0.015 45.041 45.100 -0.124 0.000 0.779 144 G HN 0.586 nan 8.290 nan 0.000 0.539 145 D N -0.541 119.832 120.400 -0.044 0.000 2.358 145 D HA 0.232 4.872 4.640 0.001 0.000 0.253 145 D C -1.683 174.602 176.300 -0.025 0.000 1.288 145 D CA -1.951 52.030 54.000 -0.032 0.000 0.950 145 D CB 2.127 42.918 40.800 -0.015 0.000 1.197 145 D HN -0.045 nan 8.370 nan 0.000 0.550 146 P HA -0.139 nan 4.420 nan 0.000 0.221 146 P C 1.011 178.300 177.300 -0.018 0.000 1.145 146 P CA 0.685 63.776 63.100 -0.014 0.000 0.795 146 P CB 0.134 31.826 31.700 -0.013 0.000 0.775 147 S N -0.343 115.343 115.700 -0.023 0.000 2.607 147 S HA -0.081 4.389 4.470 0.001 0.000 0.224 147 S C 1.595 176.173 174.600 -0.037 0.000 0.969 147 S CA 0.595 58.780 58.200 -0.025 0.000 0.927 147 S CB -1.370 61.816 63.200 -0.022 0.000 0.772 147 S HN 0.282 nan 8.310 nan 0.000 0.533 148 N N 1.337 120.012 118.700 -0.043 0.000 2.305 148 N HA -0.035 4.705 4.740 0.001 0.000 0.179 148 N C -0.562 174.883 175.510 -0.109 0.000 1.019 148 N CA 0.438 53.446 53.050 -0.069 0.000 0.869 148 N CB -0.793 37.664 38.487 -0.050 0.000 1.000 148 N HN 0.084 nan 8.380 nan 0.000 0.431 149 D N 2.097 122.446 120.400 -0.084 0.000 2.836 149 D HA 0.001 4.642 4.640 0.001 0.000 0.220 149 D C -2.123 174.096 176.300 -0.135 0.000 1.094 149 D CA -0.070 53.869 54.000 -0.103 0.000 0.820 149 D CB 0.054 40.836 40.800 -0.029 0.000 1.171 149 D HN 0.352 nan 8.370 nan 0.000 0.507 150 P HA 0.273 nan 4.420 nan 0.000 0.279 150 P C -2.538 174.753 177.300 -0.015 0.000 1.252 150 P CA -1.404 61.594 63.100 -0.171 0.000 0.811 150 P CB 0.211 31.681 31.700 -0.383 0.000 1.035 151 P HA 0.053 nan 4.420 nan 0.000 0.264 151 P C 0.852 178.217 177.300 0.108 0.000 1.179 151 P CA 1.347 64.480 63.100 0.054 0.000 0.763 151 P CB -0.030 31.699 31.700 0.047 0.000 0.806 152 G N 1.163 110.010 108.800 0.078 0.000 2.143 152 G HA2 -0.232 3.728 3.960 0.001 0.000 0.248 152 G HA3 -0.232 3.728 3.960 0.001 0.000 0.248 152 G C 0.381 175.335 174.900 0.091 0.000 0.991 152 G CA 0.070 45.218 45.100 0.082 0.000 0.689 152 G HN 0.616 nan 8.290 nan 0.000 0.522 153 T N 0.994 115.598 114.554 0.083 0.000 2.932 153 T HA 0.398 4.748 4.350 0.001 0.000 0.312 153 T C 0.573 175.260 174.700 -0.021 0.000 1.071 153 T CA 0.456 62.589 62.100 0.054 0.000 1.128 153 T CB 1.029 69.923 68.868 0.043 0.000 0.984 153 T HN 0.446 nan 8.240 nan 0.000 0.549 154 E N 1.351 121.456 120.200 -0.157 0.000 2.222 154 E HA 0.210 4.560 4.350 0.001 0.000 0.272 154 E C -0.018 176.559 176.600 -0.039 0.000 0.982 154 E CA -0.730 55.565 56.400 -0.175 0.000 0.842 154 E CB 1.112 30.589 29.700 -0.372 0.000 1.144 154 E HN 0.530 nan 8.360 nan 0.000 0.397 155 Q N 1.668 121.507 119.800 0.064 0.000 2.386 155 Q HA -0.084 4.256 4.340 0.001 0.000 0.282 155 Q C -0.961 175.234 176.000 0.326 0.000 1.050 155 Q CA 0.073 55.985 55.803 0.181 0.000 0.918 155 Q CB 0.540 29.361 28.738 0.139 0.000 1.266 155 Q HN 0.534 nan 8.270 nan 0.000 0.423 156 W N 4.219 125.639 121.300 0.199 0.000 2.422 156 W HA 0.516 5.176 4.660 0.000 0.000 0.349 156 W C -1.477 175.123 176.519 0.136 0.000 1.062 156 W CA -0.310 57.170 57.345 0.225 0.000 1.497 156 W CB 0.014 29.581 29.460 0.179 0.000 1.407 156 W HN 0.624 nan 8.180 nan 0.000 0.393 157 A N 4.705 127.626 122.820 0.168 0.000 2.515 157 A HA 0.411 4.732 4.320 0.001 0.000 0.296 157 A C 0.780 178.376 177.584 0.020 0.000 1.094 157 A CA -0.613 51.506 52.037 0.136 0.000 0.718 157 A CB 1.882 20.953 19.000 0.118 0.000 1.307 157 A HN 0.420 nan 8.150 nan 0.000 0.408 158 K N 0.688 121.112 120.400 0.040 0.000 2.009 158 K HA -0.123 4.197 4.320 0.001 0.000 0.210 158 K C 0.082 176.664 176.600 -0.030 0.000 1.049 158 K CA 2.373 58.655 56.287 -0.008 0.000 0.929 158 K CB -0.142 32.364 32.500 0.010 0.000 0.714 158 K HN 0.655 nan 8.250 nan 0.000 0.440 159 D N 1.105 121.503 120.400 -0.004 0.000 2.885 159 D HA 0.170 4.811 4.640 0.001 0.000 0.234 159 D C -0.913 175.387 176.300 -0.000 0.000 1.129 159 D CA 0.327 54.323 54.000 -0.006 0.000 0.991 159 D CB -0.200 40.604 40.800 0.006 0.000 1.137 159 D HN 0.341 nan 8.370 nan 0.000 0.459 160 A N 1.373 124.179 122.820 -0.022 0.000 2.342 160 A HA 0.649 4.969 4.320 0.001 0.000 0.323 160 A C -0.015 177.559 177.584 -0.017 0.000 1.125 160 A CA -0.868 51.170 52.037 0.002 0.000 0.785 160 A CB 1.593 20.593 19.000 -0.001 0.000 1.221 160 A HN 0.015 nan 8.150 nan 0.000 0.463 161 R N 2.550 123.061 120.500 0.018 0.000 2.358 161 R HA 0.400 4.740 4.340 0.001 0.000 0.309 161 R C -2.978 173.343 176.300 0.036 0.000 1.026 161 R CA -1.813 54.289 56.100 0.002 0.000 0.909 161 R CB 0.876 31.170 30.300 -0.009 0.000 1.153 161 R HN 0.480 nan 8.270 nan 0.000 0.515 162 P HA 0.176 nan 4.420 nan 0.000 0.271 162 P C -0.343 176.953 177.300 -0.006 0.000 1.233 162 P CA -0.287 62.877 63.100 0.106 0.000 0.789 162 P CB 0.680 32.445 31.700 0.108 0.000 0.951 163 R N -0.034 120.453 120.500 -0.020 0.000 2.892 163 R HA 0.358 4.699 4.340 0.001 0.000 0.265 163 R C 1.466 177.677 176.300 -0.148 0.000 1.025 163 R CA -0.619 55.387 56.100 -0.156 0.000 0.982 163 R CB 0.064 30.301 30.300 -0.105 0.000 1.185 163 R HN 0.513 nan 8.270 nan 0.000 0.484 164 H N 0.582 119.637 119.070 -0.026 0.000 2.353 164 H HA -0.132 4.425 4.556 0.000 0.000 0.298 164 H C 0.081 175.307 175.328 -0.170 0.000 1.103 164 H CA 1.970 57.994 56.048 -0.041 0.000 1.293 164 H CB 0.130 29.873 29.762 -0.032 0.000 1.372 164 H HN 0.571 nan 8.280 nan 0.000 0.501 165 D N -0.049 120.236 120.400 -0.192 0.000 2.525 165 D HA 0.104 4.744 4.640 0.001 0.000 0.229 165 D C 0.105 176.024 176.300 -0.635 0.000 1.202 165 D CA -0.272 53.315 54.000 -0.689 0.000 0.828 165 D CB -0.088 40.397 40.800 -0.525 0.000 1.008 165 D HN -0.097 nan 8.370 nan 0.000 0.493 166 S N -0.019 115.509 115.700 -0.287 0.000 2.603 166 S HA 0.454 4.924 4.470 0.001 0.000 0.268 166 S C -0.249 174.335 174.600 -0.027 0.000 1.317 166 S CA -0.282 57.831 58.200 -0.145 0.000 1.012 166 S CB 0.720 63.936 63.200 0.026 0.000 0.926 166 S HN 0.262 nan 8.310 nan 0.000 0.539 167 F N 0.158 120.035 119.950 -0.123 0.000 2.569 167 F HA 0.352 4.879 4.527 0.000 0.000 0.312 167 F C -0.492 175.127 175.800 -0.302 0.000 1.109 167 F CA -0.740 57.240 58.000 -0.033 0.000 0.919 167 F CB 1.722 40.741 39.000 0.032 0.000 1.211 167 F HN 0.624 nan 8.300 nan 0.000 0.446 168 Y N 0.362 120.830 120.300 0.280 0.000 2.527 168 Y HA 0.262 4.813 4.550 0.001 0.000 0.247 168 Y C 1.362 177.438 175.900 0.292 0.000 1.138 168 Y CA 0.362 58.585 58.100 0.205 0.000 1.228 168 Y CB 1.423 39.890 38.460 0.012 0.000 1.252 168 Y HN 0.810 nan 8.280 nan 0.000 0.531 169 G N 0.426 109.379 108.800 0.255 0.000 2.157 169 G HA2 -0.240 3.720 3.960 0.001 0.000 0.248 169 G HA3 -0.240 3.720 3.960 0.001 0.000 0.248 169 G C 0.731 175.768 174.900 0.228 0.000 0.979 169 G CA -0.129 45.066 45.100 0.157 0.000 0.650 169 G HN 0.685 nan 8.290 nan 0.000 0.529 170 G N 0.384 109.408 108.800 0.373 0.000 2.353 170 G HA2 0.522 4.482 3.960 0.001 0.000 0.239 170 G HA3 0.522 4.482 3.960 0.001 0.000 0.239 170 G C 0.072 175.176 174.900 0.339 0.000 1.295 170 G CA 0.992 46.328 45.100 0.394 0.000 0.884 170 G HN 1.166 nan 8.290 nan 0.000 0.537 171 D N 0.214 120.795 120.400 0.302 0.000 2.626 171 D HA 0.257 4.897 4.640 0.001 0.000 0.278 171 D C 1.192 177.651 176.300 0.265 0.000 1.211 171 D CA -0.959 53.228 54.000 0.311 0.000 0.903 171 D CB 0.577 41.477 40.800 0.165 0.000 1.408 171 D HN 0.172 nan 8.370 nan 0.000 0.454 172 L N -0.783 120.579 121.223 0.232 0.000 2.093 172 L HA -0.063 4.277 4.340 0.001 0.000 0.208 172 L C 2.245 179.200 176.870 0.141 0.000 1.085 172 L CA 1.142 56.089 54.840 0.177 0.000 0.755 172 L CB -0.535 41.608 42.059 0.140 0.000 0.904 172 L HN 0.488 nan 8.230 nan 0.000 0.435 173 K N 0.989 121.449 120.400 0.100 0.000 2.152 173 K HA -0.139 4.181 4.320 0.001 0.000 0.206 173 K C 1.913 178.531 176.600 0.030 0.000 1.048 173 K CA 1.533 57.849 56.287 0.048 0.000 0.933 173 K CB -0.554 31.957 32.500 0.019 0.000 0.721 173 K HN 0.238 nan 8.250 nan 0.000 0.447 174 G N -0.301 108.528 108.800 0.049 0.000 2.408 174 G HA2 -0.161 3.799 3.960 0.001 0.000 0.217 174 G HA3 -0.161 3.799 3.960 0.001 0.000 0.217 174 G C 1.468 176.424 174.900 0.094 0.000 1.150 174 G CA 0.887 45.983 45.100 -0.007 0.000 0.776 174 G HN 0.196 nan 8.290 nan 0.000 0.542 175 V N 1.379 121.451 119.914 0.264 0.000 2.343 175 V HA -0.190 3.931 4.120 0.001 0.000 0.247 175 V C 2.771 179.002 176.094 0.228 0.000 1.051 175 V CA 1.596 64.136 62.300 0.400 0.000 1.036 175 V CB -0.485 31.598 31.823 0.434 0.000 0.654 175 V HN 0.396 nan 8.190 nan 0.000 0.451 176 I N 0.305 120.948 120.570 0.121 0.000 2.142 176 I HA -0.238 3.932 4.170 0.001 0.000 0.240 176 I C 2.300 178.423 176.117 0.011 0.000 1.078 176 I CA 1.763 63.092 61.300 0.049 0.000 1.343 176 I CB -0.636 37.371 38.000 0.011 0.000 1.046 176 I HN 0.276 nan 8.210 nan 0.000 0.405 177 D N 0.702 121.081 120.400 -0.035 0.000 2.221 177 D HA -0.138 4.502 4.640 0.001 0.000 0.204 177 D C 1.902 178.116 176.300 -0.144 0.000 0.982 177 D CA 0.992 54.927 54.000 -0.109 0.000 0.857 177 D CB -0.155 40.538 40.800 -0.178 0.000 0.934 177 D HN 0.195 nan 8.370 nan 0.000 0.475 178 R N 0.061 120.497 120.500 -0.106 0.000 2.359 178 R HA 0.224 4.564 4.340 0.001 0.000 0.231 178 R C 1.999 178.385 176.300 0.145 0.000 0.913 178 R CA -0.186 55.858 56.100 -0.093 0.000 1.075 178 R CB -0.301 29.871 30.300 -0.214 0.000 1.087 178 R HN 0.287 nan 8.270 nan 0.000 0.515 179 L N 1.004 122.292 121.223 0.108 0.000 2.079 179 L HA -0.138 4.202 4.340 0.001 0.000 0.210 179 L C -0.654 176.276 176.870 0.100 0.000 1.081 179 L CA 1.724 56.629 54.840 0.109 0.000 0.752 179 L CB -1.211 40.880 42.059 0.054 0.000 0.896 179 L HN 0.066 nan 8.230 nan 0.000 0.433 180 P HA -0.241 nan 4.420 nan 0.000 0.216 180 P C 1.240 178.623 177.300 0.138 0.000 1.150 180 P CA 1.315 64.462 63.100 0.079 0.000 0.837 180 P CB -0.058 31.672 31.700 0.051 0.000 0.786 181 Y N 0.368 120.714 120.300 0.077 0.000 2.145 181 Y HA -0.178 4.372 4.550 0.001 0.000 0.286 181 Y C 1.961 177.974 175.900 0.188 0.000 1.145 181 Y CA 1.522 59.722 58.100 0.167 0.000 1.148 181 Y CB -1.070 37.520 38.460 0.216 0.000 0.981 181 Y HN -0.207 nan 8.280 nan 0.000 0.507 182 L N 0.179 121.464 121.223 0.103 0.000 2.017 182 L HA -0.197 4.144 4.340 0.001 0.000 0.208 182 L C 2.599 179.401 176.870 -0.112 0.000 1.073 182 L CA 1.933 56.707 54.840 -0.109 0.000 0.745 182 L CB -0.721 41.293 42.059 -0.074 0.000 0.894 182 L HN 0.292 nan 8.230 nan 0.000 0.432 183 E N 0.389 120.567 120.200 -0.036 0.000 2.085 183 E HA -0.299 4.051 4.350 0.001 0.000 0.194 183 E C 2.120 178.694 176.600 -0.044 0.000 0.994 183 E CA 1.462 57.842 56.400 -0.033 0.000 0.801 183 E CB 0.024 29.718 29.700 -0.009 0.000 0.743 183 E HN 0.440 nan 8.360 nan 0.000 0.453 184 E N 0.174 120.354 120.200 -0.033 0.000 2.077 184 E HA -0.216 4.135 4.350 0.001 0.000 0.193 184 E C 2.200 178.728 176.600 -0.121 0.000 0.989 184 E CA 0.979 57.361 56.400 -0.031 0.000 0.800 184 E CB -0.098 29.635 29.700 0.055 0.000 0.746 184 E HN 0.251 nan 8.360 nan 0.000 0.452 185 L N 0.089 121.190 121.223 -0.204 0.000 2.191 185 L HA -0.017 4.323 4.340 0.001 0.000 0.212 185 L C 1.421 178.191 176.870 -0.167 0.000 1.103 185 L CA 2.239 56.894 54.840 -0.307 0.000 0.769 185 L CB -0.318 41.548 42.059 -0.322 0.000 0.908 185 L HN 0.362 nan 8.230 nan 0.000 0.438 186 G N -1.081 107.665 108.800 -0.091 0.000 2.134 186 G HA2 -0.183 3.777 3.960 0.001 0.000 0.209 186 G HA3 -0.183 3.777 3.960 0.001 0.000 0.209 186 G C 0.274 175.210 174.900 0.061 0.000 0.993 186 G CA 0.236 45.343 45.100 0.011 0.000 0.669 186 G HN 0.873 nan 8.290 nan 0.000 0.519 187 V N -1.644 118.262 119.914 -0.013 0.000 2.740 187 V HA 0.683 4.804 4.120 0.001 0.000 0.303 187 V C 1.172 177.285 176.094 0.032 0.000 1.054 187 V CA 1.194 63.504 62.300 0.017 0.000 1.106 187 V CB 1.224 33.013 31.823 -0.056 0.000 0.957 187 V HN 0.249 nan 8.190 nan 0.000 0.486 188 T N 2.752 117.349 114.554 0.072 0.000 3.014 188 T HA 0.605 4.956 4.350 0.001 0.000 0.250 188 T C 0.490 175.224 174.700 0.058 0.000 1.060 188 T CA 0.843 62.978 62.100 0.058 0.000 1.040 188 T CB 0.347 69.289 68.868 0.123 0.000 0.971 188 T HN 1.395 nan 8.240 nan 0.000 0.497 189 A N 0.852 123.723 122.820 0.085 0.000 2.589 189 A HA 0.686 5.007 4.320 0.001 0.000 0.296 189 A C -2.227 175.418 177.584 0.101 0.000 1.062 189 A CA -0.708 51.391 52.037 0.104 0.000 0.686 189 A CB 1.027 20.171 19.000 0.240 0.000 1.282 189 A HN 0.118 nan 8.150 nan 0.000 0.404 190 L N 1.785 123.071 121.223 0.104 0.000 2.313 190 L HA 0.531 4.871 4.340 0.001 0.000 0.283 190 L C -0.765 176.168 176.870 0.104 0.000 1.013 190 L CA -0.357 54.509 54.840 0.042 0.000 0.816 190 L CB 1.245 43.271 42.059 -0.054 0.000 1.236 190 L HN 0.683 nan 8.230 nan 0.000 0.419 191 Y N 4.135 124.368 120.300 -0.113 0.000 2.342 191 Y HA 0.615 5.165 4.550 0.001 0.000 0.338 191 Y C -1.342 174.451 175.900 -0.179 0.000 0.965 191 Y CA -1.459 56.643 58.100 0.004 0.000 1.159 191 Y CB 0.758 39.297 38.460 0.132 0.000 1.157 191 Y HN 0.388 nan 8.280 nan 0.000 0.486 192 F N 4.065 123.886 119.950 -0.215 0.000 2.421 192 F HA 0.417 4.944 4.527 0.001 0.000 0.337 192 F C 0.960 176.413 175.800 -0.579 0.000 1.105 192 F CA -0.496 57.268 58.000 -0.394 0.000 1.049 192 F CB 1.594 40.466 39.000 -0.214 0.000 1.139 192 F HN 0.591 nan 8.300 nan 0.000 0.479 193 T N 0.605 114.927 114.554 -0.387 0.000 2.732 193 T HA 0.330 4.680 4.350 0.001 0.000 0.287 193 T C -2.596 171.923 174.700 -0.302 0.000 0.993 193 T CA -1.859 60.042 62.100 -0.331 0.000 0.966 193 T CB 0.539 69.300 68.868 -0.179 0.000 1.047 193 T HN 0.282 nan 8.240 nan 0.000 0.527 194 P HA 0.092 nan 4.420 nan 0.000 0.262 194 P C 0.438 177.524 177.300 -0.357 0.000 1.182 194 P CA 0.191 63.005 63.100 -0.477 0.000 0.761 194 P CB 0.044 31.379 31.700 -0.608 0.000 0.795 195 I N -0.962 119.406 120.570 -0.336 0.000 4.225 195 I HA 0.301 4.472 4.170 0.001 0.000 0.327 195 I C 0.220 176.481 176.117 0.240 0.000 1.422 195 I CA -0.582 60.638 61.300 -0.133 0.000 1.150 195 I CB -0.083 37.737 38.000 -0.300 0.000 1.192 195 I HN -0.020 nan 8.210 nan 0.000 0.440 196 F N 2.719 122.611 119.950 -0.095 0.000 2.406 196 F HA 0.551 5.079 4.527 0.001 0.000 0.327 196 F C 1.484 177.300 175.800 0.026 0.000 1.153 196 F CA -1.028 56.953 58.000 -0.032 0.000 1.218 196 F CB 0.869 39.833 39.000 -0.060 0.000 1.215 196 F HN 0.066 nan 8.300 nan 0.000 0.570 197 A N 2.315 125.266 122.820 0.217 0.000 2.566 197 A HA 0.265 4.586 4.320 0.001 0.000 0.245 197 A C 0.074 177.718 177.584 0.100 0.000 1.056 197 A CA 0.485 52.598 52.037 0.127 0.000 0.757 197 A CB -0.067 18.995 19.000 0.102 0.000 0.979 197 A HN 0.580 nan 8.150 nan 0.000 0.508 198 S N 3.191 118.930 115.700 0.065 0.000 2.548 198 S HA 0.596 5.066 4.470 0.001 0.000 0.278 198 S C -2.266 172.340 174.600 0.010 0.000 1.150 198 S CA -0.459 57.768 58.200 0.045 0.000 0.907 198 S CB 1.695 64.921 63.200 0.044 0.000 1.108 198 S HN 0.480 nan 8.310 nan 0.000 0.459 199 P HA 0.020 nan 4.420 nan 0.000 0.226 199 P C 0.710 177.977 177.300 -0.056 0.000 1.153 199 P CA 0.455 63.548 63.100 -0.012 0.000 0.777 199 P CB -0.130 31.579 31.700 0.016 0.000 0.794 200 S N -0.993 114.659 115.700 -0.079 0.000 2.652 200 S HA 0.134 4.605 4.470 0.001 0.000 0.267 200 S C 1.293 175.801 174.600 -0.153 0.000 1.201 200 S CA -0.372 57.724 58.200 -0.172 0.000 0.996 200 S CB -0.065 62.918 63.200 -0.362 0.000 1.054 200 S HN 0.075 nan 8.310 nan 0.000 0.561 201 H N 0.321 119.311 119.070 -0.135 0.000 2.497 201 H HA 0.043 4.600 4.556 0.001 0.000 0.282 201 H C 1.779 177.225 175.328 0.197 0.000 1.003 201 H CA 1.866 57.958 56.048 0.073 0.000 1.307 201 H CB -0.065 29.700 29.762 0.005 0.000 1.437 201 H HN 0.967 nan 8.280 nan 0.000 0.544 202 H N -1.050 118.272 119.070 0.419 0.000 2.595 202 H HA 0.182 4.738 4.556 0.001 0.000 0.265 202 H C 0.693 176.178 175.328 0.262 0.000 0.953 202 H CA 0.043 56.361 56.048 0.450 0.000 1.197 202 H CB 0.421 30.522 29.762 0.564 0.000 1.438 202 H HN -0.167 nan 8.280 nan 0.000 0.531 203 K N -0.750 119.735 120.400 0.141 0.000 3.341 203 K HA -0.255 4.065 4.320 0.001 0.000 0.305 203 K C -0.226 176.383 176.600 0.015 0.000 1.270 203 K CA 1.025 57.356 56.287 0.074 0.000 0.897 203 K CB -2.783 29.759 32.500 0.069 0.000 1.264 203 K HN 0.506 nan 8.250 nan 0.000 0.468 204 Y N 1.571 122.115 120.300 0.408 0.000 2.544 204 Y HA -0.037 4.513 4.550 0.000 0.000 0.286 204 Y C 0.925 176.899 175.900 0.123 0.000 1.141 204 Y CA 0.859 59.082 58.100 0.205 0.000 1.299 204 Y CB 0.322 38.856 38.460 0.125 0.000 1.030 204 Y HN 0.147 nan 8.280 nan 0.000 0.543 205 D N 0.049 120.614 120.400 0.275 0.000 2.485 205 D HA 0.095 4.735 4.640 0.001 0.000 0.229 205 D C -0.406 175.927 176.300 0.056 0.000 1.101 205 D CA -0.274 53.828 54.000 0.171 0.000 0.906 205 D CB 0.449 41.372 40.800 0.204 0.000 1.019 205 D HN -0.086 nan 8.370 nan 0.000 0.516 206 T N 0.910 115.424 114.554 -0.066 0.000 2.928 206 T HA 0.346 4.697 4.350 0.001 0.000 0.305 206 T C 1.262 175.930 174.700 -0.055 0.000 1.035 206 T CA -0.191 61.803 62.100 -0.178 0.000 1.145 206 T CB 1.680 70.142 68.868 -0.677 0.000 0.963 206 T HN 0.531 nan 8.240 nan 0.000 0.545 207 A N 2.172 125.029 122.820 0.061 0.000 1.963 207 A HA 0.276 4.596 4.320 0.001 0.000 0.207 207 A C 0.796 178.580 177.584 0.334 0.000 1.243 207 A CA 0.168 52.329 52.037 0.208 0.000 0.728 207 A CB 0.300 19.392 19.000 0.153 0.000 0.895 207 A HN 0.698 nan 8.150 nan 0.000 0.467 208 D N -1.790 118.755 120.400 0.240 0.000 2.476 208 D HA 0.403 5.043 4.640 0.001 0.000 0.251 208 D C -0.437 176.033 176.300 0.283 0.000 1.291 208 D CA -0.588 53.609 54.000 0.328 0.000 0.939 208 D CB 0.523 41.447 40.800 0.206 0.000 1.221 208 D HN 0.177 nan 8.370 nan 0.000 0.567 209 Y N 2.082 122.648 120.300 0.442 0.000 2.497 209 Y HA 0.060 4.610 4.550 0.001 0.000 0.292 209 Y C 1.637 177.637 175.900 0.167 0.000 1.137 209 Y CA 0.781 59.123 58.100 0.404 0.000 1.285 209 Y CB 0.217 39.057 38.460 0.634 0.000 0.991 209 Y HN 0.408 nan 8.280 nan 0.000 0.556 210 L N -0.466 120.923 121.223 0.277 0.000 2.848 210 L HA 0.477 4.818 4.340 0.001 0.000 0.240 210 L C 0.259 177.122 176.870 -0.012 0.000 1.232 210 L CA -0.324 54.531 54.840 0.024 0.000 1.031 210 L CB -0.271 41.628 42.059 -0.267 0.000 1.338 210 L HN 0.021 nan 8.230 nan 0.000 0.509 211 A N 0.239 123.110 122.820 0.085 0.000 2.574 211 A HA 0.677 4.998 4.320 0.001 0.000 0.297 211 A C -0.827 176.830 177.584 0.121 0.000 1.062 211 A CA -0.472 51.627 52.037 0.102 0.000 0.686 211 A CB 1.382 20.417 19.000 0.057 0.000 1.285 211 A HN 0.068 nan 8.150 nan 0.000 0.403 212 I N 1.710 122.378 120.570 0.164 0.000 2.472 212 I HA 0.123 4.293 4.170 0.001 0.000 0.290 212 I C 0.266 176.462 176.117 0.132 0.000 1.016 212 I CA -0.343 61.050 61.300 0.155 0.000 1.348 212 I CB 0.999 39.086 38.000 0.146 0.000 1.417 212 I HN 0.687 nan 8.210 nan 0.000 0.521 213 D N 7.853 128.356 120.400 0.171 0.000 2.450 213 D HA 0.020 4.660 4.640 0.001 0.000 0.247 213 D C -1.708 174.581 176.300 -0.019 0.000 1.162 213 D CA -1.223 52.819 54.000 0.072 0.000 0.879 213 D CB 1.612 42.457 40.800 0.075 0.000 1.163 213 D HN 0.224 nan 8.370 nan 0.000 0.472 214 P HA -0.211 nan 4.420 nan 0.000 0.218 214 P C 1.238 178.448 177.300 -0.151 0.000 1.150 214 P CA 1.296 64.352 63.100 -0.073 0.000 0.841 214 P CB 0.113 31.771 31.700 -0.070 0.000 0.784 215 Q N -1.681 117.930 119.800 -0.315 0.000 2.170 215 Q HA -0.170 4.170 4.340 0.001 0.000 0.203 215 Q C 1.267 176.963 176.000 -0.507 0.000 0.976 215 Q CA 1.485 56.981 55.803 -0.512 0.000 0.858 215 Q CB -0.303 27.944 28.738 -0.817 0.000 0.907 215 Q HN 0.192 nan 8.270 nan 0.000 0.433 216 F N -1.064 118.860 119.950 -0.042 0.000 2.530 216 F HA 0.375 4.902 4.527 0.001 0.000 0.292 216 F C 1.341 177.147 175.800 0.009 0.000 1.109 216 F CA 0.757 58.747 58.000 -0.017 0.000 1.450 216 F CB 0.582 39.568 39.000 -0.023 0.000 1.114 216 F HN 0.234 nan 8.300 nan 0.000 0.560 217 G N -0.411 108.470 108.800 0.135 0.000 2.441 217 G HA2 0.337 4.297 3.960 0.001 0.000 0.222 217 G HA3 0.337 4.297 3.960 0.001 0.000 0.222 217 G C -2.087 172.872 174.900 0.099 0.000 1.254 217 G CA -0.297 44.868 45.100 0.109 0.000 0.959 217 G HN 0.197 nan 8.290 nan 0.000 0.474 218 D N -1.632 118.837 120.400 0.114 0.000 2.652 218 D HA 0.614 5.254 4.640 0.001 0.000 0.285 218 D C 1.183 177.574 176.300 0.153 0.000 1.173 218 D CA -0.851 53.214 54.000 0.108 0.000 0.981 218 D CB 0.465 41.307 40.800 0.070 0.000 1.440 218 D HN 0.372 nan 8.370 nan 0.000 0.485 219 L N -0.204 121.103 121.223 0.139 0.000 2.013 219 L HA -0.028 4.312 4.340 0.001 0.000 0.212 219 L C -0.737 176.228 176.870 0.159 0.000 1.073 219 L CA 2.238 57.175 54.840 0.162 0.000 0.753 219 L CB -2.267 39.853 42.059 0.102 0.000 0.890 219 L HN 0.476 nan 8.230 nan 0.000 0.432 220 P HA -0.114 nan 4.420 nan 0.000 0.215 220 P C 1.656 178.999 177.300 0.072 0.000 1.157 220 P CA 1.692 64.832 63.100 0.067 0.000 0.868 220 P CB -0.077 31.648 31.700 0.042 0.000 0.788 221 T N -1.044 113.565 114.554 0.092 0.000 2.746 221 T HA -0.174 4.176 4.350 0.001 0.000 0.267 221 T C 1.497 176.257 174.700 0.099 0.000 1.039 221 T CA 1.024 63.172 62.100 0.081 0.000 1.142 221 T CB -1.080 67.845 68.868 0.094 0.000 0.866 221 T HN -0.001 nan 8.240 nan 0.000 0.444 222 F N 2.617 122.576 119.950 0.014 0.000 2.075 222 F HA -0.080 4.448 4.527 0.000 0.000 0.297 222 F C 2.475 178.261 175.800 -0.024 0.000 1.113 222 F CA 1.134 59.135 58.000 0.000 0.000 1.218 222 F CB -0.196 38.857 39.000 0.088 0.000 0.984 222 F HN -0.154 nan 8.300 nan 0.000 0.472 223 R N 0.361 120.889 120.500 0.046 0.000 2.096 223 R HA -0.228 4.113 4.340 0.001 0.000 0.240 223 R C 2.397 178.599 176.300 -0.163 0.000 1.139 223 R CA 1.834 57.884 56.100 -0.083 0.000 0.952 223 R CB -1.039 29.255 30.300 -0.011 0.000 0.854 223 R HN 0.326 nan 8.270 nan 0.000 0.436 224 R N 0.646 121.086 120.500 -0.101 0.000 2.096 224 R HA -0.132 4.209 4.340 0.001 0.000 0.235 224 R C 2.285 178.492 176.300 -0.156 0.000 1.127 224 R CA 1.172 57.211 56.100 -0.102 0.000 0.968 224 R CB -0.380 29.889 30.300 -0.052 0.000 0.861 224 R HN 0.125 nan 8.270 nan 0.000 0.440 225 L N 0.225 121.320 121.223 -0.214 0.000 2.017 225 L HA -0.116 4.224 4.340 0.001 0.000 0.208 225 L C 1.953 178.611 176.870 -0.354 0.000 1.073 225 L CA 1.589 56.282 54.840 -0.245 0.000 0.745 225 L CB -0.479 41.406 42.059 -0.291 0.000 0.894 225 L HN 0.032 nan 8.230 nan 0.000 0.432 226 V N 0.252 119.837 119.914 -0.548 0.000 2.233 226 V HA -0.332 3.788 4.120 0.001 0.000 0.247 226 V C 2.369 178.129 176.094 -0.555 0.000 1.050 226 V CA 2.111 64.014 62.300 -0.662 0.000 1.010 226 V CB -1.037 30.381 31.823 -0.675 0.000 0.637 226 V HN 0.441 nan 8.190 nan 0.000 0.444 227 D N -0.262 119.941 120.400 -0.328 0.000 2.104 227 D HA -0.155 4.485 4.640 0.001 0.000 0.194 227 D C 2.272 178.502 176.300 -0.116 0.000 0.994 227 D CA 1.212 55.109 54.000 -0.171 0.000 0.830 227 D CB -0.334 40.405 40.800 -0.103 0.000 0.959 227 D HN 0.434 nan 8.370 nan 0.000 0.452 228 E N 0.400 120.529 120.200 -0.119 0.000 2.153 228 E HA -0.091 4.259 4.350 0.001 0.000 0.194 228 E C 2.009 178.572 176.600 -0.061 0.000 0.988 228 E CA 0.731 57.088 56.400 -0.071 0.000 0.811 228 E CB -0.082 29.582 29.700 -0.060 0.000 0.746 228 E HN 0.234 nan 8.360 nan 0.000 0.466 229 A N 0.699 123.455 122.820 -0.106 0.000 1.854 229 A HA -0.163 4.157 4.320 0.001 0.000 0.214 229 A C 1.882 179.469 177.584 0.005 0.000 1.192 229 A CA 1.362 53.359 52.037 -0.067 0.000 0.611 229 A CB -0.918 18.012 19.000 -0.117 0.000 0.832 229 A HN 0.320 nan 8.150 nan 0.000 0.442 230 H N -1.336 117.673 119.070 -0.103 0.000 2.387 230 H HA -0.109 4.448 4.556 0.001 0.000 0.299 230 H C 2.363 177.634 175.328 -0.095 0.000 1.099 230 H CA 1.036 57.015 56.048 -0.114 0.000 1.315 230 H CB 0.058 29.751 29.762 -0.116 0.000 1.380 230 H HN 0.304 nan 8.280 nan 0.000 0.513 231 R N 1.596 122.130 120.500 0.055 0.000 2.152 231 R HA -0.093 4.247 4.340 0.001 0.000 0.232 231 R C 1.052 177.345 176.300 -0.012 0.000 1.117 231 R CA 1.139 57.242 56.100 0.006 0.000 0.981 231 R CB 0.021 30.316 30.300 -0.009 0.000 0.870 231 R HN 0.334 nan 8.270 nan 0.000 0.451 232 R N -0.980 119.513 120.500 -0.012 0.000 2.426 232 R HA 0.143 4.483 4.340 0.001 0.000 0.263 232 R C 0.624 176.903 176.300 -0.035 0.000 0.961 232 R CA 0.494 56.581 56.100 -0.022 0.000 1.086 232 R CB 0.562 30.853 30.300 -0.016 0.000 1.186 232 R HN 0.376 nan 8.270 nan 0.000 0.537 233 G N 1.578 110.352 108.800 -0.044 0.000 2.198 233 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 233 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 233 G C 0.022 174.872 174.900 -0.084 0.000 1.025 233 G CA 0.020 45.072 45.100 -0.079 0.000 0.769 233 G HN 0.306 nan 8.290 nan 0.000 0.507 234 I N 0.318 120.862 120.570 -0.043 0.000 2.389 234 I HA 0.342 4.513 4.170 0.001 0.000 0.288 234 I C 0.259 176.373 176.117 -0.005 0.000 0.999 234 I CA -1.136 60.143 61.300 -0.035 0.000 1.129 234 I CB 1.521 39.514 38.000 -0.012 0.000 1.288 234 I HN -0.156 nan 8.210 nan 0.000 0.444 235 K N 5.804 126.145 120.400 -0.098 0.000 2.126 235 K HA 0.514 4.835 4.320 0.001 0.000 0.257 235 K C -0.470 176.156 176.600 0.044 0.000 1.007 235 K CA -0.605 55.616 56.287 -0.110 0.000 0.928 235 K CB 1.644 33.856 32.500 -0.480 0.000 1.013 235 K HN 0.389 nan 8.250 nan 0.000 0.473 236 I N 3.253 123.879 120.570 0.093 0.000 2.382 236 I HA 0.346 4.516 4.170 0.001 0.000 0.286 236 I C 0.066 176.303 176.117 0.201 0.000 1.002 236 I CA -0.646 60.752 61.300 0.164 0.000 1.135 236 I CB 0.853 38.898 38.000 0.074 0.000 1.288 236 I HN 0.389 nan 8.210 nan 0.000 0.448 237 I N 6.651 127.402 120.570 0.302 0.000 2.362 237 I HA 0.310 4.480 4.170 0.001 0.000 0.289 237 I C -0.484 175.833 176.117 0.334 0.000 0.994 237 I CA -0.786 60.697 61.300 0.304 0.000 1.158 237 I CB 1.886 40.154 38.000 0.446 0.000 1.315 237 I HN 0.239 nan 8.210 nan 0.000 0.451 238 L N 5.858 127.149 121.223 0.113 0.000 2.343 238 L HA 0.408 4.749 4.340 0.001 0.000 0.275 238 L C -0.004 176.919 176.870 0.088 0.000 1.056 238 L CA -0.114 54.745 54.840 0.032 0.000 0.804 238 L CB 1.111 43.023 42.059 -0.246 0.000 1.203 238 L HN 0.428 nan 8.230 nan 0.000 0.440 239 D N 1.797 122.207 120.400 0.017 0.000 2.249 239 D HA 0.582 5.222 4.640 0.001 0.000 0.246 239 D C -0.994 175.189 176.300 -0.194 0.000 1.114 239 D CA -0.045 53.966 54.000 0.019 0.000 0.854 239 D CB 1.625 42.435 40.800 0.017 0.000 1.132 239 D HN 0.585 nan 8.370 nan 0.000 0.461 240 A N 3.055 125.779 122.820 -0.159 0.000 2.343 240 A HA 0.521 4.842 4.320 0.001 0.000 0.316 240 A C -0.679 176.645 177.584 -0.433 0.000 1.104 240 A CA -0.743 51.071 52.037 -0.372 0.000 0.768 240 A CB 1.263 19.924 19.000 -0.564 0.000 1.213 240 A HN 0.340 nan 8.150 nan 0.000 0.456 241 V N 1.016 120.774 119.914 -0.260 0.000 2.277 241 V HA 0.406 4.526 4.120 0.001 0.000 0.269 241 V C -0.283 175.861 176.094 0.084 0.000 1.036 241 V CA -0.236 61.968 62.300 -0.161 0.000 0.821 241 V CB -0.571 31.141 31.823 -0.186 0.000 1.052 241 V HN 0.725 nan 8.190 nan 0.000 0.462 242 F N 2.296 122.191 119.950 -0.091 0.000 2.727 242 F HA 0.215 4.742 4.527 0.000 0.000 0.302 242 F C 1.901 177.527 175.800 -0.291 0.000 1.097 242 F CA -0.276 57.600 58.000 -0.208 0.000 1.330 242 F CB -0.742 38.089 39.000 -0.282 0.000 1.084 242 F HN 0.553 nan 8.300 nan 0.000 0.578 243 N N -0.051 118.625 118.700 -0.041 0.000 2.250 243 N HA -0.118 4.623 4.740 0.001 0.000 0.181 243 N C 0.316 175.877 175.510 0.086 0.000 1.017 243 N CA 1.020 54.078 53.050 0.013 0.000 0.866 243 N CB 0.089 38.691 38.487 0.192 0.000 0.985 243 N HN 0.310 nan 8.380 nan 0.000 0.429 244 H N -2.808 116.292 119.070 0.051 0.000 3.016 244 H HA 0.732 5.288 4.556 0.000 0.000 0.362 244 H C -1.368 173.989 175.328 0.049 0.000 1.233 244 H CA -0.973 55.107 56.048 0.054 0.000 1.124 244 H CB 1.036 30.847 29.762 0.082 0.000 1.850 244 H HN 0.033 nan 8.280 nan 0.000 0.549 245 A N 0.783 123.660 122.820 0.095 0.000 2.312 245 A HA 0.760 5.080 4.320 0.001 0.000 0.310 245 A C 0.437 178.066 177.584 0.074 0.000 1.139 245 A CA -0.330 51.700 52.037 -0.012 0.000 0.886 245 A CB 0.996 19.844 19.000 -0.253 0.000 1.350 245 A HN 0.918 nan 8.150 nan 0.000 0.479 246 G N -0.905 107.927 108.800 0.053 0.000 2.528 246 G HA2 0.402 4.362 3.960 0.001 0.000 0.289 246 G HA3 0.402 4.362 3.960 0.001 0.000 0.289 246 G C 0.356 175.288 174.900 0.053 0.000 1.192 246 G CA 0.429 45.581 45.100 0.087 0.000 0.921 246 G HN 0.781 nan 8.290 nan 0.000 0.512 247 D N -0.701 119.721 120.400 0.036 0.000 2.350 247 D HA -0.120 4.520 4.640 0.001 0.000 0.216 247 D C 1.267 177.691 176.300 0.207 0.000 0.968 247 D CA 0.741 54.764 54.000 0.037 0.000 0.894 247 D CB 0.214 41.084 40.800 0.116 0.000 0.909 247 D HN 0.316 nan 8.370 nan 0.000 0.520 248 Q N -0.460 119.455 119.800 0.192 0.000 2.384 248 Q HA 0.064 4.405 4.340 0.001 0.000 0.207 248 Q C 0.164 176.326 176.000 0.271 0.000 0.904 248 Q CA -0.475 55.450 55.803 0.203 0.000 0.933 248 Q CB -0.118 28.714 28.738 0.157 0.000 1.077 248 Q HN 0.292 nan 8.270 nan 0.000 0.522 249 F N 2.681 122.710 119.950 0.132 0.000 2.604 249 F HA -0.170 4.357 4.527 0.001 0.000 0.393 249 F C 1.294 177.138 175.800 0.074 0.000 1.043 249 F CA -0.726 57.361 58.000 0.145 0.000 1.227 249 F CB 0.223 39.319 39.000 0.159 0.000 1.016 249 F HN 0.096 nan 8.300 nan 0.000 0.556 250 F N 4.709 124.445 119.950 -0.355 0.000 2.135 250 F HA -0.279 4.249 4.527 0.000 0.000 0.300 250 F C 1.722 177.223 175.800 -0.499 0.000 1.074 250 F CA 1.734 59.488 58.000 -0.410 0.000 1.262 250 F CB -1.310 37.432 39.000 -0.430 0.000 1.013 250 F HN 0.404 nan 8.300 nan 0.000 0.489 251 A N -0.306 121.203 122.820 -2.186 0.000 1.968 251 A HA -0.048 4.272 4.320 0.001 0.000 0.217 251 A C 2.080 179.445 177.584 -0.365 0.000 1.169 251 A CA 1.164 52.299 52.037 -1.504 0.000 0.638 251 A CB -1.401 16.588 19.000 -1.684 0.000 0.812 251 A HN 0.532 nan 8.150 nan 0.000 0.446 252 F N 0.425 120.211 119.950 -0.274 0.000 2.259 252 F HA 0.015 4.542 4.527 0.001 0.000 0.298 252 F C 2.207 177.825 175.800 -0.304 0.000 1.088 252 F CA 1.319 59.054 58.000 -0.441 0.000 1.358 252 F CB -0.190 38.599 39.000 -0.351 0.000 1.040 252 F HN 0.208 nan 8.300 nan 0.000 0.505 253 R N 0.195 120.623 120.500 -0.121 0.000 2.127 253 R HA -0.196 4.144 4.340 0.001 0.000 0.238 253 R C 1.933 178.129 176.300 -0.172 0.000 1.134 253 R CA 2.016 58.046 56.100 -0.118 0.000 0.975 253 R CB -0.545 29.742 30.300 -0.021 0.000 0.865 253 R HN 0.267 nan 8.270 nan 0.000 0.447 254 D N -0.791 119.504 120.400 -0.175 0.000 2.091 254 D HA -0.127 4.513 4.640 0.001 0.000 0.199 254 D C 1.915 178.095 176.300 -0.199 0.000 0.980 254 D CA 1.682 55.611 54.000 -0.118 0.000 0.831 254 D CB 0.106 40.918 40.800 0.021 0.000 0.987 254 D HN 0.141 nan 8.370 nan 0.000 0.460 255 V N -0.371 119.372 119.914 -0.285 0.000 2.490 255 V HA -0.112 4.008 4.120 0.001 0.000 0.250 255 V C 2.456 178.293 176.094 -0.429 0.000 1.061 255 V CA 1.191 63.276 62.300 -0.359 0.000 1.064 255 V CB -0.978 30.615 31.823 -0.383 0.000 0.670 255 V HN 0.228 nan 8.190 nan 0.000 0.461 256 L N -0.779 120.123 121.223 -0.534 0.000 2.465 256 L HA -0.024 4.316 4.340 0.001 0.000 0.224 256 L C 2.593 179.313 176.870 -0.250 0.000 1.145 256 L CA 1.073 55.647 54.840 -0.445 0.000 0.834 256 L CB -0.062 41.686 42.059 -0.518 0.000 0.944 256 L HN 0.401 nan 8.230 nan 0.000 0.451 257 Q N -0.834 118.833 119.800 -0.221 0.000 2.442 257 Q HA 0.037 4.377 4.340 0.001 0.000 0.228 257 Q C 1.309 177.218 176.000 -0.151 0.000 0.902 257 Q CA 0.656 56.369 55.803 -0.149 0.000 0.933 257 Q CB 0.559 29.230 28.738 -0.113 0.000 1.071 257 Q HN 0.386 nan 8.270 nan 0.000 0.562 258 K N 0.449 120.739 120.400 -0.184 0.000 2.373 258 K HA 0.225 4.545 4.320 0.001 0.000 0.202 258 K C 0.835 177.278 176.600 -0.261 0.000 1.025 258 K CA 0.385 56.560 56.287 -0.187 0.000 1.115 258 K CB 1.039 33.440 32.500 -0.166 0.000 0.858 258 K HN 0.202 nan 8.250 nan 0.000 0.525 259 G N 3.403 112.003 108.800 -0.332 0.000 2.596 259 G HA2 -0.403 3.557 3.960 0.001 0.000 0.334 259 G HA3 -0.403 3.557 3.960 0.001 0.000 0.334 259 G C 0.845 175.291 174.900 -0.756 0.000 1.351 259 G CA 0.887 45.659 45.100 -0.547 0.000 0.965 259 G HN 0.464 nan 8.290 nan 0.000 0.533 260 E N -0.025 119.620 120.200 -0.924 0.000 2.333 260 E HA -0.193 4.157 4.350 0.001 0.000 0.200 260 E C 2.104 178.520 176.600 -0.306 0.000 1.010 260 E CA 1.994 57.994 56.400 -0.667 0.000 0.841 260 E CB -0.297 29.232 29.700 -0.285 0.000 0.757 260 E HN 0.589 nan 8.360 nan 0.000 0.508 261 Q N 0.684 120.325 119.800 -0.264 0.000 2.451 261 Q HA 0.131 4.471 4.340 0.001 0.000 0.206 261 Q C 0.383 176.271 176.000 -0.187 0.000 0.947 261 Q CA 0.149 55.846 55.803 -0.177 0.000 0.937 261 Q CB 0.302 28.953 28.738 -0.144 0.000 1.025 261 Q HN 0.131 nan 8.270 nan 0.000 0.511 262 S N 0.088 115.650 115.700 -0.230 0.000 2.548 262 S HA 0.078 4.549 4.470 0.001 0.000 0.277 262 S C 0.912 175.369 174.600 -0.239 0.000 1.315 262 S CA -0.531 57.533 58.200 -0.226 0.000 1.050 262 S CB 0.479 63.553 63.200 -0.210 0.000 0.918 262 S HN 0.447 nan 8.310 nan 0.000 0.497 263 R N 3.397 123.672 120.500 -0.375 0.000 2.319 263 R HA 0.063 4.404 4.340 0.001 0.000 0.204 263 R C 0.082 176.062 176.300 -0.533 0.000 0.954 263 R CA 0.837 56.678 56.100 -0.431 0.000 1.066 263 R CB -0.314 29.676 30.300 -0.517 0.000 0.991 263 R HN 0.745 nan 8.270 nan 0.000 0.486 264 Y N 1.430 121.558 120.300 -0.287 0.000 2.531 264 Y HA 0.183 4.734 4.550 0.000 0.000 0.249 264 Y C 1.628 177.511 175.900 -0.027 0.000 1.168 264 Y CA -0.733 57.074 58.100 -0.488 0.000 1.226 264 Y CB 0.747 38.799 38.460 -0.679 0.000 1.177 264 Y HN 0.083 nan 8.280 nan 0.000 0.527 265 K N -0.312 120.177 120.400 0.149 0.000 2.103 265 K HA -0.172 4.148 4.320 0.001 0.000 0.207 265 K C 0.383 177.212 176.600 0.382 0.000 1.048 265 K CA 1.978 58.425 56.287 0.267 0.000 0.930 265 K CB -0.166 32.436 32.500 0.170 0.000 0.716 265 K HN 0.127 nan 8.250 nan 0.000 0.444 266 D N -0.291 120.305 120.400 0.326 0.000 2.352 266 D HA -0.050 4.590 4.640 0.001 0.000 0.232 266 D C 0.447 176.894 176.300 0.246 0.000 1.055 266 D CA 0.408 54.559 54.000 0.253 0.000 0.891 266 D CB -0.067 40.848 40.800 0.191 0.000 0.897 266 D HN 0.391 nan 8.370 nan 0.000 0.529 267 W N -0.141 121.149 121.300 -0.017 0.000 3.197 267 W HA 0.194 4.854 4.660 0.001 0.000 0.274 267 W C 0.250 176.346 176.519 -0.705 0.000 1.297 267 W CA -0.221 56.910 57.345 -0.357 0.000 1.662 267 W CB -0.021 29.188 29.460 -0.418 0.000 1.106 267 W HN -0.201 nan 8.180 nan 0.000 0.663 268 F N -2.057 117.967 119.950 0.124 0.000 2.764 268 F HA 0.466 4.993 4.527 0.001 0.000 0.347 268 F C -0.790 174.970 175.800 -0.066 0.000 1.151 268 F CA -1.819 56.227 58.000 0.078 0.000 1.021 268 F CB 0.356 39.511 39.000 0.259 0.000 1.438 268 F HN -0.542 nan 8.300 nan 0.000 0.516 269 F N 2.365 122.558 119.950 0.405 0.000 2.291 269 F HA 0.505 5.032 4.527 0.000 0.000 0.368 269 F C -0.409 175.564 175.800 0.288 0.000 1.085 269 F CA -0.387 57.774 58.000 0.267 0.000 1.165 269 F CB 0.431 39.550 39.000 0.198 0.000 1.429 269 F HN 0.013 nan 8.300 nan 0.000 0.503 270 I N 3.033 123.817 120.570 0.356 0.000 2.362 270 I HA 0.257 4.427 4.170 0.001 0.000 0.289 270 I C 0.783 176.907 176.117 0.011 0.000 0.994 270 I CA -0.385 61.053 61.300 0.230 0.000 1.158 270 I CB 1.746 39.868 38.000 0.205 0.000 1.315 270 I HN 0.562 nan 8.210 nan 0.000 0.451 271 E N 4.171 124.373 120.200 0.005 0.000 1.998 271 E HA -0.102 4.249 4.350 0.001 0.000 0.195 271 E C -0.184 176.274 176.600 -0.237 0.000 0.994 271 E CA 0.969 57.331 56.400 -0.064 0.000 0.835 271 E CB 0.161 29.851 29.700 -0.016 0.000 0.786 271 E HN 0.671 nan 8.360 nan 0.000 0.467 272 D N 0.132 120.387 120.400 -0.243 0.000 2.620 272 D HA 0.157 4.798 4.640 0.001 0.000 0.252 272 D C -0.466 175.670 176.300 -0.273 0.000 1.207 272 D CA -0.488 53.321 54.000 -0.317 0.000 0.884 272 D CB 0.747 41.478 40.800 -0.116 0.000 1.262 272 D HN -0.114 nan 8.370 nan 0.000 0.552 273 F N 0.855 120.839 119.950 0.055 0.000 2.050 273 F HA 0.230 4.757 4.527 0.001 0.000 0.254 273 F C -1.234 174.585 175.800 0.031 0.000 1.096 273 F CA -1.249 56.776 58.000 0.042 0.000 1.215 273 F CB -1.258 37.748 39.000 0.009 0.000 1.757 273 F HN 0.164 nan 8.300 nan 0.000 0.510 274 P HA 0.092 nan 4.420 nan 0.000 0.275 274 P C -0.789 176.628 177.300 0.194 0.000 1.276 274 P CA -0.008 63.223 63.100 0.219 0.000 0.782 274 P CB 0.642 32.396 31.700 0.091 0.000 0.851 275 V N 3.031 123.093 119.914 0.247 0.000 2.899 275 V HA -0.176 3.944 4.120 0.001 0.000 0.293 275 V C 1.352 177.538 176.094 0.152 0.000 1.114 275 V CA 1.109 63.526 62.300 0.195 0.000 1.270 275 V CB -1.157 30.644 31.823 -0.036 0.000 0.814 275 V HN 0.694 nan 8.190 nan 0.000 0.457 276 S N 5.246 121.075 115.700 0.215 0.000 2.665 276 S HA 0.227 4.697 4.470 0.001 0.000 0.230 276 S C 0.892 175.622 174.600 0.217 0.000 1.326 276 S CA -0.720 57.577 58.200 0.161 0.000 1.055 276 S CB 0.003 63.264 63.200 0.103 0.000 1.178 276 S HN 0.808 nan 8.310 nan 0.000 0.489 277 K N 2.939 123.503 120.400 0.274 0.000 2.522 277 K HA -0.020 4.300 4.320 0.001 0.000 0.194 277 K C 1.592 178.299 176.600 0.177 0.000 1.026 277 K CA 0.793 57.281 56.287 0.334 0.000 1.119 277 K CB -0.462 32.295 32.500 0.429 0.000 0.856 277 K HN 0.841 nan 8.250 nan 0.000 0.513 278 T N -2.022 112.602 114.554 0.117 0.000 2.536 278 T HA -0.204 4.146 4.350 0.001 0.000 0.263 278 T C 1.766 176.504 174.700 0.064 0.000 1.115 278 T CA 2.228 64.374 62.100 0.077 0.000 1.180 278 T CB -0.320 68.581 68.868 0.054 0.000 0.864 278 T HN 0.214 nan 8.240 nan 0.000 0.419 279 S N -0.761 114.966 115.700 0.044 0.000 2.364 279 S HA 0.238 4.709 4.470 0.001 0.000 0.274 279 S C 0.505 175.105 174.600 0.000 0.000 1.016 279 S CA -0.418 57.798 58.200 0.027 0.000 1.332 279 S CB 0.018 63.230 63.200 0.021 0.000 1.056 279 S HN 0.678 nan 8.310 nan 0.000 0.525 280 R N 1.422 121.917 120.500 -0.008 0.000 2.700 280 R HA 0.642 4.982 4.340 0.001 0.000 0.253 280 R C -0.964 175.288 176.300 -0.080 0.000 1.091 280 R CA 0.343 56.419 56.100 -0.040 0.000 1.104 280 R CB 1.363 31.648 30.300 -0.025 0.000 1.202 280 R HN 0.358 nan 8.270 nan 0.000 0.532 281 T N -1.200 113.264 114.554 -0.150 0.000 2.912 281 T HA 0.276 4.626 4.350 0.001 0.000 0.299 281 T C -0.236 174.330 174.700 -0.223 0.000 1.052 281 T CA -1.009 60.902 62.100 -0.316 0.000 0.996 281 T CB 1.255 69.743 68.868 -0.633 0.000 1.070 281 T HN 0.821 nan 8.240 nan 0.000 0.465 282 N N 0.234 118.846 118.700 -0.146 0.000 2.282 282 N HA 0.279 5.020 4.740 0.001 0.000 0.240 282 N C -0.698 174.885 175.510 0.122 0.000 1.182 282 N CA -0.888 52.165 53.050 0.005 0.000 0.874 282 N CB 0.242 38.769 38.487 0.066 0.000 1.126 282 N HN 0.749 nan 8.380 nan 0.000 0.516 283 Y N -1.750 118.619 120.300 0.116 0.000 2.562 283 Y HA 0.470 5.021 4.550 0.000 0.000 0.345 283 Y C -0.659 175.334 175.900 0.155 0.000 1.045 283 Y CA -1.650 56.556 58.100 0.177 0.000 1.028 283 Y CB 0.886 39.507 38.460 0.269 0.000 1.297 283 Y HN -0.101 nan 8.280 nan 0.000 0.463 284 E N 2.004 122.410 120.200 0.343 0.000 2.316 284 E HA 0.392 4.742 4.350 0.001 0.000 0.275 284 E C -0.366 176.405 176.600 0.285 0.000 1.029 284 E CA -0.079 56.433 56.400 0.186 0.000 0.871 284 E CB 0.877 30.623 29.700 0.076 0.000 1.022 284 E HN 0.898 nan 8.360 nan 0.000 0.418 285 T N 1.031 115.669 114.554 0.140 0.000 2.804 285 T HA 0.222 4.572 4.350 0.001 0.000 0.272 285 T C 0.792 175.553 174.700 0.102 0.000 0.986 285 T CA -0.658 61.547 62.100 0.175 0.000 0.999 285 T CB 0.495 69.438 68.868 0.125 0.000 1.307 285 T HN 0.562 nan 8.240 nan 0.000 0.586 286 F N 1.202 121.075 119.950 -0.129 0.000 2.014 286 F HA 0.052 4.580 4.527 0.000 0.000 0.299 286 F C 2.479 178.178 175.800 -0.168 0.000 1.224 286 F CA 2.132 59.971 58.000 -0.268 0.000 1.200 286 F CB -0.841 37.851 39.000 -0.514 0.000 0.948 286 F HN 0.732 nan 8.300 nan 0.000 0.520 287 A N -0.653 121.783 122.820 -0.640 0.000 1.878 287 A HA 0.152 4.473 4.320 0.001 0.000 0.215 287 A C 1.617 179.012 177.584 -0.315 0.000 1.310 287 A CA 2.207 53.824 52.037 -0.700 0.000 0.612 287 A CB -0.935 17.669 19.000 -0.661 0.000 0.989 287 A HN 0.498 nan 8.150 nan 0.000 0.472 288 V N -4.184 115.612 119.914 -0.197 0.000 4.197 288 V HA 0.358 4.479 4.120 0.001 0.000 0.176 288 V C 0.504 176.542 176.094 -0.093 0.000 1.208 288 V CA 0.437 62.658 62.300 -0.132 0.000 1.306 288 V CB -0.284 31.470 31.823 -0.115 0.000 1.585 288 V HN 0.290 nan 8.190 nan 0.000 0.552 289 Q N 0.845 120.603 119.800 -0.070 0.000 2.571 289 Q HA 0.685 5.025 4.340 0.001 0.000 0.243 289 Q C -1.318 174.673 176.000 -0.015 0.000 1.055 289 Q CA -0.051 55.719 55.803 -0.055 0.000 0.815 289 Q CB 1.223 29.931 28.738 -0.049 0.000 1.151 289 Q HN 0.535 nan 8.270 nan 0.000 0.519 290 V N 5.769 125.690 119.914 0.010 0.000 2.564 290 V HA 0.247 4.367 4.120 0.001 0.000 0.259 290 V C -2.020 174.136 176.094 0.104 0.000 0.936 290 V CA -1.111 61.229 62.300 0.068 0.000 0.867 290 V CB 1.385 33.273 31.823 0.108 0.000 1.076 290 V HN 0.559 nan 8.190 nan 0.000 0.476 291 P HA -0.191 nan 4.420 nan 0.000 0.218 291 P C 1.590 179.017 177.300 0.212 0.000 1.146 291 P CA 1.728 64.968 63.100 0.233 0.000 0.820 291 P CB 0.347 32.173 31.700 0.210 0.000 0.778 292 A N -1.999 120.909 122.820 0.146 0.000 2.209 292 A HA 0.018 4.338 4.320 0.001 0.000 0.212 292 A C 1.281 178.917 177.584 0.087 0.000 1.158 292 A CA 0.966 53.073 52.037 0.116 0.000 0.742 292 A CB -0.862 18.223 19.000 0.143 0.000 0.790 292 A HN 0.171 nan 8.150 nan 0.000 0.472 293 M N 1.218 120.874 119.600 0.093 0.000 2.389 293 M HA 0.230 4.710 4.480 0.001 0.000 0.206 293 M C -2.861 173.511 176.300 0.120 0.000 0.976 293 M CA -1.698 53.668 55.300 0.110 0.000 0.648 293 M CB 2.088 34.701 32.600 0.022 0.000 1.474 293 M HN -0.050 nan 8.290 nan 0.000 0.398 294 P HA 0.069 nan 4.420 nan 0.000 0.271 294 P C -0.812 176.673 177.300 0.309 0.000 1.226 294 P CA -0.045 63.108 63.100 0.088 0.000 0.765 294 P CB 0.773 32.145 31.700 -0.547 0.000 0.835 295 K N 3.485 124.117 120.400 0.387 0.000 2.436 295 K HA 0.153 4.473 4.320 0.001 0.000 0.275 295 K C -0.573 176.231 176.600 0.340 0.000 0.999 295 K CA -0.292 56.227 56.287 0.387 0.000 0.980 295 K CB 0.076 32.805 32.500 0.382 0.000 0.919 295 K HN 0.273 nan 8.250 nan 0.000 0.484 296 L N 3.663 124.965 121.223 0.130 0.000 2.325 296 L HA 0.337 4.678 4.340 0.001 0.000 0.279 296 L C 0.250 177.033 176.870 -0.146 0.000 1.054 296 L CA -0.193 54.556 54.840 -0.153 0.000 0.804 296 L CB 1.374 43.248 42.059 -0.309 0.000 1.200 296 L HN 0.601 nan 8.230 nan 0.000 0.436 297 R N 0.467 120.740 120.500 -0.379 0.000 2.891 297 R HA 0.122 4.462 4.340 0.001 0.000 0.248 297 R C 0.749 176.817 176.300 -0.387 0.000 1.439 297 R CA 0.319 56.152 56.100 -0.446 0.000 1.288 297 R CB -0.146 29.749 30.300 -0.674 0.000 1.212 297 R HN 0.827 nan 8.270 nan 0.000 0.605 298 T N -0.589 113.757 114.554 -0.347 0.000 2.977 298 T HA -0.130 4.221 4.350 0.001 0.000 0.271 298 T C 1.006 175.549 174.700 -0.261 0.000 1.105 298 T CA 1.260 63.093 62.100 -0.446 0.000 1.116 298 T CB -0.095 68.318 68.868 -0.758 0.000 0.878 298 T HN 0.608 nan 8.240 nan 0.000 0.509 299 E N 1.262 121.353 120.200 -0.183 0.000 2.274 299 E HA 0.024 4.374 4.350 0.001 0.000 0.194 299 E C 0.885 177.403 176.600 -0.137 0.000 0.996 299 E CA -0.033 56.307 56.400 -0.101 0.000 0.840 299 E CB -0.022 29.658 29.700 -0.033 0.000 0.772 299 E HN 0.393 nan 8.360 nan 0.000 0.491 300 N N 1.293 119.860 118.700 -0.221 0.000 2.452 300 N HA -0.008 4.732 4.740 0.001 0.000 0.266 300 N C -2.044 173.309 175.510 -0.260 0.000 1.175 300 N CA -1.635 51.275 53.050 -0.233 0.000 0.945 300 N CB 1.162 39.457 38.487 -0.320 0.000 1.063 300 N HN -0.216 nan 8.380 nan 0.000 0.472 301 P HA -0.115 nan 4.420 nan 0.000 0.217 301 P C 0.589 177.767 177.300 -0.203 0.000 1.148 301 P CA 1.323 64.323 63.100 -0.167 0.000 0.828 301 P CB 0.370 32.018 31.700 -0.086 0.000 0.783 302 E N -0.832 119.245 120.200 -0.205 0.000 2.072 302 E HA -0.100 4.250 4.350 0.001 0.000 0.191 302 E C 1.910 178.191 176.600 -0.532 0.000 0.985 302 E CA 0.988 57.282 56.400 -0.176 0.000 0.801 302 E CB -0.431 29.328 29.700 0.098 0.000 0.750 302 E HN 0.063 nan 8.360 nan 0.000 0.452 303 V N 1.717 121.066 119.914 -0.942 0.000 2.358 303 V HA -0.246 3.874 4.120 0.001 0.000 0.246 303 V C 2.382 178.131 176.094 -0.574 0.000 1.047 303 V CA 1.664 63.298 62.300 -1.111 0.000 1.035 303 V CB -0.464 30.735 31.823 -1.040 0.000 0.658 303 V HN 0.203 nan 8.190 nan 0.000 0.452 304 K N 0.264 120.381 120.400 -0.471 0.000 2.032 304 K HA -0.261 4.059 4.320 0.001 0.000 0.209 304 K C 2.151 178.377 176.600 -0.625 0.000 1.048 304 K CA 2.079 58.062 56.287 -0.508 0.000 0.927 304 K CB -0.179 31.963 32.500 -0.595 0.000 0.712 304 K HN 0.543 nan 8.250 nan 0.000 0.441 305 E N -0.717 119.254 120.200 -0.382 0.000 2.118 305 E HA -0.227 4.123 4.350 0.001 0.000 0.195 305 E C 1.887 178.477 176.600 -0.017 0.000 0.992 305 E CA 1.319 57.629 56.400 -0.151 0.000 0.804 305 E CB -0.166 29.509 29.700 -0.042 0.000 0.741 305 E HN 0.370 nan 8.360 nan 0.000 0.458 306 Y N 1.231 121.445 120.300 -0.144 0.000 2.109 306 Y HA -0.205 4.345 4.550 0.000 0.000 0.285 306 Y C 2.052 177.903 175.900 -0.083 0.000 1.131 306 Y CA 1.520 59.600 58.100 -0.033 0.000 1.121 306 Y CB -0.274 38.192 38.460 0.010 0.000 0.987 306 Y HN -0.065 nan 8.280 nan 0.000 0.495 307 L N -1.120 120.089 121.223 -0.024 0.000 2.079 307 L HA -0.270 4.071 4.340 0.001 0.000 0.210 307 L C 2.437 179.308 176.870 0.001 0.000 1.081 307 L CA 1.524 56.172 54.840 -0.320 0.000 0.752 307 L CB -0.831 40.828 42.059 -0.668 0.000 0.896 307 L HN 0.270 nan 8.230 nan 0.000 0.433 308 F N 0.187 120.063 119.950 -0.124 0.000 2.171 308 F HA -0.233 4.295 4.527 0.000 0.000 0.300 308 F C 2.317 178.122 175.800 0.009 0.000 1.090 308 F CA 0.446 58.425 58.000 -0.036 0.000 1.293 308 F CB -0.089 38.866 39.000 -0.076 0.000 1.013 308 F HN 0.173 nan 8.300 nan 0.000 0.486 309 D N -0.065 120.428 120.400 0.155 0.000 2.183 309 D HA -0.112 4.528 4.640 0.001 0.000 0.203 309 D C 2.328 178.694 176.300 0.111 0.000 0.969 309 D CA 0.764 54.805 54.000 0.069 0.000 0.842 309 D CB -0.281 40.481 40.800 -0.063 0.000 0.957 309 D HN 0.049 nan 8.370 nan 0.000 0.484 310 V N 1.360 121.337 119.914 0.105 0.000 2.295 310 V HA -0.238 3.883 4.120 0.001 0.000 0.246 310 V C 2.543 179.034 176.094 0.660 0.000 1.049 310 V CA 1.807 64.306 62.300 0.331 0.000 1.024 310 V CB -0.774 31.254 31.823 0.342 0.000 0.648 310 V HN 0.176 nan 8.190 nan 0.000 0.447 311 A N 0.038 123.191 122.820 0.554 0.000 1.908 311 A HA -0.278 4.042 4.320 0.001 0.000 0.218 311 A C 2.402 180.396 177.584 0.683 0.000 1.181 311 A CA 2.168 54.607 52.037 0.670 0.000 0.627 311 A CB -0.596 18.613 19.000 0.348 0.000 0.818 311 A HN 0.512 nan 8.150 nan 0.000 0.445 312 R N -1.538 119.199 120.500 0.395 0.000 2.083 312 R HA -0.169 4.172 4.340 0.001 0.000 0.237 312 R C 2.023 178.505 176.300 0.304 0.000 1.137 312 R CA 1.921 58.189 56.100 0.279 0.000 0.951 312 R CB -0.509 29.893 30.300 0.170 0.000 0.851 312 R HN 0.524 nan 8.270 nan 0.000 0.434 313 F N -0.201 119.830 119.950 0.135 0.000 2.095 313 F HA -0.237 4.290 4.527 0.001 0.000 0.298 313 F C 1.491 177.262 175.800 -0.049 0.000 1.104 313 F CA 1.807 59.779 58.000 -0.046 0.000 1.232 313 F CB -0.255 38.603 39.000 -0.236 0.000 0.987 313 F HN 0.095 nan 8.300 nan 0.000 0.475 314 W N 0.016 121.493 121.300 0.296 0.000 2.467 314 W HA -0.115 4.546 4.660 0.000 0.000 0.275 314 W C 2.242 178.816 176.519 0.092 0.000 1.239 314 W CA 0.562 57.998 57.345 0.152 0.000 1.266 314 W CB -0.275 29.433 29.460 0.413 0.000 1.112 314 W HN -0.009 nan 8.180 nan 0.000 0.576 315 M N -0.083 119.748 119.600 0.384 0.000 2.394 315 M HA -0.106 4.374 4.480 0.001 0.000 0.264 315 M C 1.479 177.848 176.300 0.114 0.000 1.073 315 M CA 1.241 56.692 55.300 0.252 0.000 1.111 315 M CB -0.584 32.195 32.600 0.298 0.000 1.401 315 M HN 0.023 nan 8.290 nan 0.000 0.448 316 E N 0.325 120.539 120.200 0.024 0.000 2.274 316 E HA -0.160 4.191 4.350 0.001 0.000 0.194 316 E C 1.544 178.089 176.600 -0.091 0.000 0.996 316 E CA 0.912 57.275 56.400 -0.061 0.000 0.840 316 E CB -0.089 29.521 29.700 -0.150 0.000 0.772 316 E HN 0.464 nan 8.360 nan 0.000 0.491 317 Q N -0.503 119.245 119.800 -0.085 0.000 2.444 317 Q HA 0.089 4.429 4.340 0.001 0.000 0.206 317 Q C 0.914 176.947 176.000 0.055 0.000 0.948 317 Q CA 0.724 56.522 55.803 -0.009 0.000 0.946 317 Q CB 0.480 29.305 28.738 0.146 0.000 1.027 317 Q HN 0.408 nan 8.270 nan 0.000 0.513 318 G N 0.617 109.465 108.800 0.079 0.000 2.141 318 G HA2 -0.283 3.677 3.960 0.001 0.000 0.231 318 G HA3 -0.283 3.677 3.960 0.001 0.000 0.231 318 G C 0.306 175.294 174.900 0.147 0.000 0.984 318 G CA 0.135 45.308 45.100 0.121 0.000 0.660 318 G HN 0.508 nan 8.290 nan 0.000 0.525 319 I N -2.119 118.519 120.570 0.115 0.000 3.045 319 I HA 0.400 4.570 4.170 0.001 0.000 0.288 319 I C 0.618 176.760 176.117 0.041 0.000 1.238 319 I CA 0.479 61.811 61.300 0.053 0.000 1.396 319 I CB 0.545 38.504 38.000 -0.068 0.000 1.355 319 I HN -0.031 nan 8.210 nan 0.000 0.601 320 D N 3.387 123.815 120.400 0.047 0.000 2.398 320 D HA 0.324 4.965 4.640 0.001 0.000 0.210 320 D C 0.534 176.948 176.300 0.190 0.000 1.094 320 D CA 0.471 54.525 54.000 0.090 0.000 0.839 320 D CB 1.086 41.883 40.800 -0.005 0.000 0.963 320 D HN 0.898 nan 8.370 nan 0.000 0.506 321 G N 0.269 109.093 108.800 0.040 0.000 2.316 321 G HA2 0.322 4.282 3.960 0.001 0.000 0.296 321 G HA3 0.322 4.282 3.960 0.001 0.000 0.296 321 G C -2.278 172.566 174.900 -0.094 0.000 1.399 321 G CA -1.094 44.069 45.100 0.105 0.000 0.833 321 G HN 0.007 nan 8.290 nan 0.000 0.565 322 W N -0.200 121.192 121.300 0.153 0.000 2.915 322 W HA 0.793 5.453 4.660 0.000 0.000 0.337 322 W C 0.198 176.648 176.519 -0.115 0.000 1.102 322 W CA -0.895 56.495 57.345 0.074 0.000 1.224 322 W CB 2.128 31.681 29.460 0.157 0.000 1.416 322 W HN 0.500 nan 8.180 nan 0.000 0.503 323 R N 2.545 123.088 120.500 0.072 0.000 2.338 323 R HA 0.588 4.928 4.340 0.001 0.000 0.317 323 R C -1.165 175.013 176.300 -0.204 0.000 0.968 323 R CA -0.718 55.247 56.100 -0.225 0.000 0.849 323 R CB 0.849 30.997 30.300 -0.252 0.000 1.128 323 R HN 0.654 nan 8.270 nan 0.000 0.448 324 L N 4.311 125.290 121.223 -0.407 0.000 2.272 324 L HA 0.283 4.624 4.340 0.001 0.000 0.284 324 L C 0.061 176.733 176.870 -0.331 0.000 1.045 324 L CA -0.758 53.835 54.840 -0.412 0.000 0.842 324 L CB 0.932 42.583 42.059 -0.680 0.000 1.224 324 L HN 0.559 nan 8.230 nan 0.000 0.430 325 N N 1.650 120.234 118.700 -0.193 0.000 2.492 325 N HA 0.070 4.810 4.740 0.001 0.000 0.260 325 N C 0.620 176.085 175.510 -0.075 0.000 1.215 325 N CA 0.020 53.002 53.050 -0.113 0.000 0.923 325 N CB 0.826 39.306 38.487 -0.012 0.000 1.092 325 N HN 0.332 nan 8.380 nan 0.000 0.448 326 V N 1.504 121.381 119.914 -0.061 0.000 5.359 326 V HA -0.320 3.800 4.120 0.001 0.000 0.278 326 V C 1.487 177.609 176.094 0.047 0.000 0.622 326 V CA 1.205 63.525 62.300 0.033 0.000 0.649 326 V CB -2.806 29.145 31.823 0.214 0.000 0.408 326 V HN 0.811 nan 8.190 nan 0.000 0.918 327 A N 1.597 124.380 122.820 -0.062 0.000 1.969 327 A HA -0.139 4.181 4.320 0.001 0.000 0.218 327 A C 1.880 179.506 177.584 0.071 0.000 1.169 327 A CA 1.570 53.648 52.037 0.069 0.000 0.635 327 A CB -0.426 18.344 19.000 -0.384 0.000 0.810 327 A HN 1.045 nan 8.150 nan 0.000 0.445 328 N N 0.490 119.056 118.700 -0.223 0.000 2.588 328 N HA -0.141 4.599 4.740 0.001 0.000 0.190 328 N C 0.704 176.299 175.510 0.141 0.000 1.094 328 N CA 1.460 54.332 53.050 -0.296 0.000 0.921 328 N CB -0.516 37.804 38.487 -0.277 0.000 0.959 328 N HN 0.654 nan 8.380 nan 0.000 0.448 329 E N -0.441 119.857 120.200 0.164 0.000 2.451 329 E HA 0.198 4.548 4.350 0.001 0.000 0.194 329 E C -0.756 175.932 176.600 0.146 0.000 1.027 329 E CA -0.234 56.272 56.400 0.176 0.000 0.914 329 E CB 0.694 30.481 29.700 0.146 0.000 1.054 329 E HN 0.107 nan 8.360 nan 0.000 0.461 330 V N 2.542 122.565 119.914 0.181 0.000 2.555 330 V HA 0.075 4.195 4.120 0.001 0.000 0.302 330 V C 0.041 176.154 176.094 0.032 0.000 1.038 330 V CA -1.300 60.956 62.300 -0.072 0.000 0.887 330 V CB 1.697 33.239 31.823 -0.468 0.000 0.991 330 V HN 0.198 nan 8.190 nan 0.000 0.434 331 D N 1.863 122.255 120.400 -0.013 0.000 2.478 331 D HA -0.085 4.555 4.640 0.001 0.000 0.234 331 D C 0.698 177.153 176.300 0.258 0.000 1.154 331 D CA 0.097 54.202 54.000 0.175 0.000 0.874 331 D CB 0.876 41.749 40.800 0.121 0.000 1.198 331 D HN 0.599 nan 8.370 nan 0.000 0.455 332 H N 1.400 120.638 119.070 0.281 0.000 2.387 332 H HA -0.035 4.521 4.556 0.001 0.000 0.299 332 H C 2.142 177.634 175.328 0.272 0.000 1.090 332 H CA 2.106 58.360 56.048 0.344 0.000 1.332 332 H CB -0.354 29.517 29.762 0.183 0.000 1.386 332 H HN 0.656 nan 8.280 nan 0.000 0.516 333 A N 0.625 123.625 122.820 0.300 0.000 1.892 333 A HA -0.255 4.065 4.320 0.001 0.000 0.218 333 A C 2.233 179.955 177.584 0.230 0.000 1.188 333 A CA 1.814 53.977 52.037 0.210 0.000 0.631 333 A CB -1.209 17.876 19.000 0.141 0.000 0.822 333 A HN 0.461 nan 8.150 nan 0.000 0.447 334 F N -0.854 119.104 119.950 0.014 0.000 2.065 334 F HA -0.252 4.276 4.527 0.000 0.000 0.298 334 F C 2.141 178.057 175.800 0.194 0.000 1.112 334 F CA 2.079 60.051 58.000 -0.046 0.000 1.212 334 F CB -0.509 38.251 39.000 -0.400 0.000 0.975 334 F HN 0.444 nan 8.300 nan 0.000 0.476 335 W N 0.381 121.965 121.300 0.473 0.000 2.374 335 W HA -0.134 4.526 4.660 0.000 0.000 0.288 335 W C 2.622 179.265 176.519 0.207 0.000 1.218 335 W CA 0.665 58.223 57.345 0.354 0.000 1.245 335 W CB -0.323 29.231 29.460 0.157 0.000 1.126 335 W HN -0.123 nan 8.180 nan 0.000 0.545 336 R N 0.256 120.981 120.500 0.375 0.000 2.092 336 R HA -0.125 4.215 4.340 0.001 0.000 0.231 336 R C 1.868 178.260 176.300 0.152 0.000 1.119 336 R CA 1.404 57.627 56.100 0.205 0.000 0.970 336 R CB -0.404 29.986 30.300 0.151 0.000 0.864 336 R HN 0.288 nan 8.270 nan 0.000 0.440 337 E N -0.166 120.137 120.200 0.170 0.000 2.107 337 E HA -0.157 4.193 4.350 0.001 0.000 0.191 337 E C 1.581 178.143 176.600 -0.062 0.000 0.982 337 E CA 0.711 57.180 56.400 0.115 0.000 0.809 337 E CB -0.052 29.799 29.700 0.251 0.000 0.756 337 E HN 0.148 nan 8.360 nan 0.000 0.459 338 F N 1.801 121.656 119.950 -0.158 0.000 2.126 338 F HA -0.206 4.321 4.527 0.000 0.000 0.299 338 F C 2.348 178.048 175.800 -0.167 0.000 1.096 338 F CA 1.728 59.507 58.000 -0.368 0.000 1.255 338 F CB -0.096 38.957 39.000 0.088 0.000 0.997 338 F HN -0.174 nan 8.300 nan 0.000 0.479 339 R N 0.083 120.595 120.500 0.019 0.000 2.083 339 R HA -0.214 4.126 4.340 0.001 0.000 0.237 339 R C 2.454 178.668 176.300 -0.144 0.000 1.137 339 R CA 1.881 57.959 56.100 -0.036 0.000 0.951 339 R CB -0.331 30.009 30.300 0.067 0.000 0.851 339 R HN 0.177 nan 8.270 nan 0.000 0.434 340 R N 0.198 120.624 120.500 -0.123 0.000 2.080 340 R HA -0.175 4.165 4.340 0.001 0.000 0.236 340 R C 2.312 178.500 176.300 -0.186 0.000 1.137 340 R CA 1.831 57.861 56.100 -0.117 0.000 0.943 340 R CB -0.644 29.609 30.300 -0.078 0.000 0.846 340 R HN 0.231 nan 8.270 nan 0.000 0.431 341 L N 0.203 121.229 121.223 -0.328 0.000 1.970 341 L HA -0.177 4.164 4.340 0.001 0.000 0.212 341 L C 1.999 178.688 176.870 -0.301 0.000 1.071 341 L CA 1.789 56.407 54.840 -0.370 0.000 0.751 341 L CB -0.822 40.835 42.059 -0.670 0.000 0.889 341 L HN 0.017 nan 8.230 nan 0.000 0.432 342 V N 0.258 119.911 119.914 -0.435 0.000 2.252 342 V HA -0.319 3.801 4.120 0.001 0.000 0.249 342 V C 2.760 178.802 176.094 -0.086 0.000 1.056 342 V CA 2.154 64.300 62.300 -0.256 0.000 1.022 342 V CB -0.856 30.758 31.823 -0.350 0.000 0.641 342 V HN 0.461 nan 8.190 nan 0.000 0.445 343 K N 0.684 121.034 120.400 -0.083 0.000 2.209 343 K HA -0.097 4.223 4.320 0.001 0.000 0.204 343 K C 2.435 179.026 176.600 -0.014 0.000 1.048 343 K CA 1.638 57.914 56.287 -0.018 0.000 0.940 343 K CB -0.824 31.667 32.500 -0.015 0.000 0.729 343 K HN 0.689 nan 8.250 nan 0.000 0.451 344 S N 0.652 116.326 115.700 -0.042 0.000 2.423 344 S HA -0.030 4.441 4.470 0.001 0.000 0.231 344 S C 2.049 176.643 174.600 -0.010 0.000 1.014 344 S CA 0.577 58.761 58.200 -0.026 0.000 0.965 344 S CB -0.299 62.876 63.200 -0.042 0.000 0.785 344 S HN 0.215 nan 8.310 nan 0.000 0.495 345 L N 0.562 121.780 121.223 -0.009 0.000 2.209 345 L HA 0.270 4.611 4.340 0.001 0.000 0.207 345 L C 0.594 177.486 176.870 0.036 0.000 1.094 345 L CA 0.523 55.374 54.840 0.018 0.000 0.790 345 L CB -0.303 41.777 42.059 0.034 0.000 0.932 345 L HN 0.393 nan 8.230 nan 0.000 0.447 346 N N -1.246 117.481 118.700 0.045 0.000 2.655 346 N HA 0.168 4.908 4.740 0.001 0.000 0.277 346 N C -2.427 173.127 175.510 0.073 0.000 1.177 346 N CA -1.191 51.895 53.050 0.060 0.000 0.882 346 N CB 1.602 40.137 38.487 0.080 0.000 1.481 346 N HN -0.319 nan 8.380 nan 0.000 0.547 347 P HA 0.028 nan 4.420 nan 0.000 0.222 347 P C -0.041 177.330 177.300 0.118 0.000 1.147 347 P CA 0.896 64.040 63.100 0.073 0.000 0.790 347 P CB 0.348 32.084 31.700 0.058 0.000 0.780 348 D N -1.039 119.456 120.400 0.158 0.000 2.328 348 D HA 0.128 4.768 4.640 0.001 0.000 0.226 348 D C 0.654 177.186 176.300 0.386 0.000 1.066 348 D CA 0.114 54.289 54.000 0.291 0.000 0.861 348 D CB -0.321 40.667 40.800 0.313 0.000 0.912 348 D HN 0.054 nan 8.370 nan 0.000 0.521 349 A N 0.821 123.792 122.820 0.251 0.000 2.450 349 A HA 0.304 4.625 4.320 0.001 0.000 0.255 349 A C -0.068 177.674 177.584 0.263 0.000 1.096 349 A CA -0.286 51.913 52.037 0.270 0.000 0.778 349 A CB 0.243 19.372 19.000 0.216 0.000 1.031 349 A HN 0.193 nan 8.150 nan 0.000 0.494 350 L N 4.064 125.474 121.223 0.310 0.000 2.307 350 L HA 0.546 4.886 4.340 0.001 0.000 0.282 350 L C -0.629 176.349 176.870 0.181 0.000 1.051 350 L CA -0.250 54.704 54.840 0.190 0.000 0.804 350 L CB 1.049 43.209 42.059 0.169 0.000 1.197 350 L HN 0.545 nan 8.230 nan 0.000 0.431 351 I N 6.340 126.962 120.570 0.086 0.000 2.410 351 I HA 0.388 4.559 4.170 0.001 0.000 0.286 351 I C -0.678 175.297 176.117 -0.236 0.000 1.009 351 I CA -0.579 60.745 61.300 0.040 0.000 1.111 351 I CB 1.339 39.431 38.000 0.155 0.000 1.262 351 I HN 0.219 nan 8.210 nan 0.000 0.443 352 V N 5.041 124.681 119.914 -0.457 0.000 2.487 352 V HA 0.739 4.859 4.120 0.001 0.000 0.298 352 V C 0.592 176.144 176.094 -0.904 0.000 1.028 352 V CA -0.470 61.370 62.300 -0.765 0.000 0.860 352 V CB 1.987 33.088 31.823 -1.203 0.000 0.991 352 V HN 0.914 nan 8.190 nan 0.000 0.427 353 G N 2.620 110.791 108.800 -1.048 0.000 2.434 353 G HA2 0.602 4.563 3.960 0.001 0.000 0.330 353 G HA3 0.602 4.563 3.960 0.001 0.000 0.330 353 G C -0.628 173.895 174.900 -0.628 0.000 1.155 353 G CA -0.437 43.989 45.100 -1.123 0.000 0.917 353 G HN 0.769 nan 8.290 nan 0.000 0.493 354 E N 0.496 120.392 120.200 -0.507 0.000 2.103 354 E HA 0.449 4.799 4.350 0.001 0.000 0.254 354 E C -0.977 175.480 176.600 -0.239 0.000 0.940 354 E CA -0.459 55.755 56.400 -0.309 0.000 0.771 354 E CB 0.297 29.818 29.700 -0.298 0.000 1.153 354 E HN 0.175 nan 8.360 nan 0.000 0.428 355 I N 3.642 124.156 120.570 -0.095 0.000 2.447 355 I HA 0.221 4.392 4.170 0.001 0.000 0.287 355 I C -0.356 175.923 176.117 0.270 0.000 1.023 355 I CA -0.271 60.970 61.300 -0.099 0.000 1.083 355 I CB 1.323 39.106 38.000 -0.362 0.000 1.245 355 I HN 0.664 nan 8.210 nan 0.000 0.434 356 W N 6.501 127.676 121.300 -0.207 0.000 3.314 356 W HA 0.151 4.812 4.660 0.001 0.000 0.419 356 W C -0.048 176.191 176.519 -0.468 0.000 1.021 356 W CA -0.271 56.846 57.345 -0.380 0.000 1.935 356 W CB 0.092 29.375 29.460 -0.293 0.000 1.008 356 W HN 0.739 nan 8.180 nan 0.000 0.803 357 H N -3.916 115.234 119.070 0.134 0.000 2.902 357 H HA 0.121 4.678 4.556 0.000 0.000 0.297 357 H C -0.750 174.873 175.328 0.491 0.000 1.406 357 H CA -1.162 55.056 56.048 0.284 0.000 1.134 357 H CB -0.071 29.801 29.762 0.183 0.000 1.833 357 H HN -0.341 nan 8.280 nan 0.000 0.527 358 D N 0.135 120.882 120.400 0.579 0.000 2.854 358 D HA 0.059 4.699 4.640 0.001 0.000 0.243 358 D C 0.544 177.163 176.300 0.532 0.000 1.243 358 D CA 1.104 55.396 54.000 0.487 0.000 0.883 358 D CB 0.130 41.158 40.800 0.380 0.000 1.145 358 D HN 0.742 nan 8.370 nan 0.000 0.555 359 A N 3.037 126.201 122.820 0.574 0.000 2.462 359 A HA 0.104 4.424 4.320 0.001 0.000 0.261 359 A C 1.937 179.819 177.584 0.498 0.000 1.323 359 A CA 0.282 52.647 52.037 0.547 0.000 0.913 359 A CB -0.133 19.007 19.000 0.233 0.000 1.028 359 A HN 0.497 nan 8.150 nan 0.000 0.511 360 S N 0.043 116.075 115.700 0.552 0.000 2.359 360 S HA -0.186 4.285 4.470 0.001 0.000 0.223 360 S C 1.980 176.668 174.600 0.147 0.000 1.039 360 S CA 1.532 59.969 58.200 0.395 0.000 1.042 360 S CB -1.078 62.294 63.200 0.287 0.000 0.915 360 S HN 0.759 nan 8.310 nan 0.000 0.439 361 G N -0.276 108.492 108.800 -0.052 0.000 2.527 361 G HA2 -0.126 3.834 3.960 0.001 0.000 0.219 361 G HA3 -0.126 3.834 3.960 0.001 0.000 0.219 361 G C 0.813 175.505 174.900 -0.346 0.000 1.117 361 G CA 0.421 45.341 45.100 -0.300 0.000 0.759 361 G HN 0.615 nan 8.290 nan 0.000 0.556 362 W N -0.552 120.775 121.300 0.046 0.000 3.127 362 W HA 0.454 5.114 4.660 0.001 0.000 0.344 362 W C 0.647 177.080 176.519 -0.143 0.000 1.151 362 W CA -0.368 56.871 57.345 -0.175 0.000 1.765 362 W CB 0.240 29.541 29.460 -0.265 0.000 1.085 362 W HN 0.051 nan 8.180 nan 0.000 0.596 363 L N 0.669 121.965 121.223 0.121 0.000 3.154 363 L HA 0.245 4.586 4.340 0.001 0.000 0.266 363 L C 1.289 178.313 176.870 0.257 0.000 1.300 363 L CA 0.024 54.947 54.840 0.137 0.000 1.028 363 L CB -0.037 41.969 42.059 -0.089 0.000 1.412 363 L HN -0.166 nan 8.230 nan 0.000 0.564 364 M N -1.170 118.500 119.600 0.117 0.000 2.382 364 M HA 0.284 4.765 4.480 0.001 0.000 0.247 364 M C 1.448 177.730 176.300 -0.029 0.000 1.104 364 M CA 0.698 56.073 55.300 0.125 0.000 1.030 364 M CB 0.789 33.426 32.600 0.062 0.000 1.424 364 M HN 0.403 nan 8.290 nan 0.000 0.486 365 G N 0.823 109.296 108.800 -0.543 0.000 2.380 365 G HA2 -0.202 3.758 3.960 0.001 0.000 0.197 365 G HA3 -0.202 3.758 3.960 0.001 0.000 0.197 365 G C 0.467 175.057 174.900 -0.517 0.000 1.001 365 G CA 0.242 44.729 45.100 -1.021 0.000 0.668 365 G HN 0.512 nan 8.290 nan 0.000 0.483 366 D N 0.154 120.390 120.400 -0.274 0.000 2.379 366 D HA 0.196 4.836 4.640 0.001 0.000 0.208 366 D C 1.580 177.817 176.300 -0.105 0.000 1.065 366 D CA 0.847 54.760 54.000 -0.144 0.000 0.848 366 D CB 0.184 40.944 40.800 -0.066 0.000 0.949 366 D HN 0.538 nan 8.370 nan 0.000 0.509 367 Q N -0.807 118.891 119.800 -0.171 0.000 2.517 367 Q HA 0.303 4.643 4.340 0.001 0.000 0.188 367 Q C 0.055 175.977 176.000 -0.131 0.000 0.736 367 Q CA 0.045 55.724 55.803 -0.207 0.000 0.834 367 Q CB 0.977 29.470 28.738 -0.408 0.000 1.198 367 Q HN 0.116 nan 8.270 nan 0.000 0.596 368 F N 0.635 120.533 119.950 -0.087 0.000 2.541 368 F HA 0.276 4.803 4.527 0.001 0.000 0.331 368 F C 0.627 176.371 175.800 -0.092 0.000 1.057 368 F CA -1.140 56.782 58.000 -0.130 0.000 0.975 368 F CB 1.280 40.161 39.000 -0.199 0.000 1.246 368 F HN 0.022 nan 8.300 nan 0.000 0.484 369 D N -0.240 120.252 120.400 0.154 0.000 2.240 369 D HA 0.043 4.684 4.640 0.001 0.000 0.206 369 D C 0.520 176.899 176.300 0.131 0.000 0.963 369 D CA 0.967 55.066 54.000 0.166 0.000 0.863 369 D CB 0.465 41.302 40.800 0.063 0.000 0.973 369 D HN 0.447 nan 8.370 nan 0.000 0.501 370 S N -1.175 114.504 115.700 -0.034 0.000 2.669 370 S HA 0.525 4.995 4.470 0.001 0.000 0.266 370 S C -1.153 173.273 174.600 -0.290 0.000 1.149 370 S CA -0.561 57.556 58.200 -0.139 0.000 0.842 370 S CB 1.155 64.267 63.200 -0.146 0.000 1.160 370 S HN 0.072 nan 8.310 nan 0.000 0.487 371 V N -2.125 117.615 119.914 -0.291 0.000 3.202 371 V HA 0.678 4.798 4.120 0.001 0.000 0.306 371 V C -0.561 175.429 176.094 -0.173 0.000 1.283 371 V CA -1.410 60.706 62.300 -0.307 0.000 1.065 371 V CB 1.693 33.410 31.823 -0.177 0.000 1.079 371 V HN 0.997 nan 8.190 nan 0.000 0.448 372 M N 3.107 122.674 119.600 -0.054 0.000 2.268 372 M HA 0.243 4.724 4.480 0.001 0.000 0.349 372 M C 0.148 176.576 176.300 0.213 0.000 1.485 372 M CA 0.353 55.762 55.300 0.183 0.000 1.094 372 M CB -0.611 32.218 32.600 0.382 0.000 1.843 372 M HN 0.884 nan 8.290 nan 0.000 0.460 373 N N 4.016 122.802 118.700 0.143 0.000 2.671 373 N HA -0.029 4.711 4.740 0.001 0.000 0.274 373 N C 0.562 176.091 175.510 0.031 0.000 1.188 373 N CA -0.075 53.010 53.050 0.058 0.000 1.065 373 N CB -0.112 38.400 38.487 0.042 0.000 1.415 373 N HN 0.504 nan 8.380 nan 0.000 0.511 374 Y N 1.931 122.156 120.300 -0.126 0.000 2.421 374 Y HA -0.022 4.529 4.550 0.001 0.000 0.292 374 Y C 1.217 176.993 175.900 -0.207 0.000 1.136 374 Y CA 0.548 58.391 58.100 -0.429 0.000 1.255 374 Y CB -0.060 37.617 38.460 -1.304 0.000 0.991 374 Y HN 0.227 nan 8.280 nan 0.000 0.552 375 L N 0.037 120.806 121.223 -0.756 0.000 2.056 375 L HA -0.142 4.198 4.340 0.001 0.000 0.207 375 L C 2.407 179.217 176.870 -0.101 0.000 1.078 375 L CA 1.637 56.197 54.840 -0.466 0.000 0.749 375 L CB -1.784 39.980 42.059 -0.493 0.000 0.901 375 L HN 0.438 nan 8.230 nan 0.000 0.433 376 F N 1.246 121.108 119.950 -0.146 0.000 2.065 376 F HA -0.316 4.212 4.527 0.000 0.000 0.298 376 F C 2.920 178.759 175.800 0.065 0.000 1.112 376 F CA 2.262 60.250 58.000 -0.020 0.000 1.212 376 F CB -0.258 38.761 39.000 0.032 0.000 0.975 376 F HN 0.006 nan 8.300 nan 0.000 0.476 377 R N 0.366 121.054 120.500 0.313 0.000 2.070 377 R HA -0.241 4.099 4.340 0.001 0.000 0.233 377 R C 2.337 178.721 176.300 0.140 0.000 1.137 377 R CA 1.886 58.126 56.100 0.234 0.000 0.945 377 R CB -0.650 29.837 30.300 0.312 0.000 0.845 377 R HN 0.429 nan 8.270 nan 0.000 0.430 378 E N 0.399 120.659 120.200 0.100 0.000 2.130 378 E HA -0.181 4.169 4.350 0.001 0.000 0.196 378 E C 1.660 178.296 176.600 0.060 0.000 0.998 378 E CA 2.441 58.887 56.400 0.077 0.000 0.806 378 E CB -0.338 29.394 29.700 0.055 0.000 0.738 378 E HN 0.337 nan 8.360 nan 0.000 0.459 379 S N -0.399 115.311 115.700 0.017 0.000 2.387 379 S HA -0.103 4.368 4.470 0.001 0.000 0.226 379 S C 2.044 176.752 174.600 0.178 0.000 1.026 379 S CA 1.117 59.343 58.200 0.043 0.000 0.972 379 S CB -0.343 62.802 63.200 -0.091 0.000 0.814 379 S HN 0.432 nan 8.310 nan 0.000 0.477 380 V N 0.182 120.175 119.914 0.133 0.000 2.548 380 V HA -0.023 4.097 4.120 0.001 0.000 0.249 380 V C 1.978 178.361 176.094 0.482 0.000 1.055 380 V CA 0.928 63.431 62.300 0.340 0.000 1.065 380 V CB -0.843 31.051 31.823 0.118 0.000 0.681 380 V HN 0.306 nan 8.190 nan 0.000 0.462 381 I N 0.847 121.645 120.570 0.379 0.000 2.127 381 I HA -0.192 3.978 4.170 0.001 0.000 0.241 381 I C 2.970 179.147 176.117 0.099 0.000 1.075 381 I CA 2.046 63.501 61.300 0.258 0.000 1.334 381 I CB -0.948 37.147 38.000 0.157 0.000 1.040 381 I HN 0.322 nan 8.210 nan 0.000 0.405 382 R N -0.810 119.731 120.500 0.067 0.000 2.148 382 R HA -0.177 4.163 4.340 0.001 0.000 0.227 382 R C 2.121 178.383 176.300 -0.063 0.000 1.103 382 R CA 1.183 57.279 56.100 -0.006 0.000 0.983 382 R CB -0.177 30.120 30.300 -0.005 0.000 0.874 382 R HN 0.251 nan 8.270 nan 0.000 0.451 383 F N -0.571 119.183 119.950 -0.326 0.000 2.222 383 F HA 0.075 4.602 4.527 0.001 0.000 0.285 383 F C 1.334 176.768 175.800 -0.610 0.000 1.068 383 F CA 0.970 58.545 58.000 -0.707 0.000 1.265 383 F CB -0.187 37.864 39.000 -1.582 0.000 1.087 383 F HN -0.194 nan 8.300 nan 0.000 0.511 384 F N 0.023 119.753 119.950 -0.368 0.000 2.317 384 F HA 0.209 4.736 4.527 0.001 0.000 0.293 384 F C 2.332 178.006 175.800 -0.210 0.000 1.085 384 F CA 0.753 58.548 58.000 -0.342 0.000 1.390 384 F CB -1.187 37.777 39.000 -0.059 0.000 1.077 384 F HN 0.061 nan 8.300 nan 0.000 0.517 385 A N 0.623 123.472 122.820 0.047 0.000 1.838 385 A HA -0.108 4.212 4.320 0.001 0.000 0.215 385 A C 2.288 179.794 177.584 -0.129 0.000 1.273 385 A CA 2.147 54.112 52.037 -0.120 0.000 0.602 385 A CB -1.414 17.417 19.000 -0.281 0.000 0.934 385 A HN 0.328 nan 8.150 nan 0.000 0.461 386 T N -3.817 110.666 114.554 -0.119 0.000 2.896 386 T HA 0.342 4.692 4.350 0.001 0.000 0.263 386 T C 1.484 176.117 174.700 -0.112 0.000 1.050 386 T CA 1.467 63.505 62.100 -0.102 0.000 1.140 386 T CB -0.411 68.410 68.868 -0.080 0.000 0.877 386 T HN 2.001 nan 8.240 nan 0.000 0.457 387 G N 1.462 110.171 108.800 -0.152 0.000 2.132 387 G HA2 -0.245 3.715 3.960 0.001 0.000 0.228 387 G HA3 -0.245 3.715 3.960 0.001 0.000 0.228 387 G C 0.466 175.297 174.900 -0.115 0.000 1.000 387 G CA 0.338 45.331 45.100 -0.179 0.000 0.693 387 G HN 0.593 nan 8.290 nan 0.000 0.515 388 E N -0.511 119.634 120.200 -0.093 0.000 2.265 388 E HA 0.065 4.416 4.350 0.001 0.000 0.196 388 E C 1.541 178.094 176.600 -0.078 0.000 0.996 388 E CA 1.224 57.583 56.400 -0.068 0.000 0.832 388 E CB 0.039 29.706 29.700 -0.056 0.000 0.756 388 E HN 0.924 nan 8.360 nan 0.000 0.491 389 I N -2.102 118.411 120.570 -0.095 0.000 3.042 389 I HA 0.383 4.553 4.170 0.001 0.000 0.310 389 I C -0.024 176.049 176.117 -0.074 0.000 1.117 389 I CA -1.303 59.903 61.300 -0.155 0.000 1.003 389 I CB 1.968 39.863 38.000 -0.176 0.000 1.228 389 I HN -0.151 nan 8.210 nan 0.000 0.443 390 H N 2.394 121.474 119.070 0.017 0.000 2.615 390 H HA 0.605 5.162 4.556 0.000 0.000 0.346 390 H C 0.735 176.058 175.328 -0.009 0.000 1.200 390 H CA -0.448 55.637 56.048 0.061 0.000 1.264 390 H CB 1.700 31.461 29.762 -0.002 0.000 1.699 390 H HN 0.812 nan 8.280 nan 0.000 0.567 391 A N 1.062 124.019 122.820 0.228 0.000 1.903 391 A HA -0.250 4.070 4.320 0.001 0.000 0.219 391 A C 2.115 179.629 177.584 -0.117 0.000 1.191 391 A CA 2.084 54.035 52.037 -0.144 0.000 0.638 391 A CB -0.911 18.123 19.000 0.057 0.000 0.823 391 A HN 0.887 nan 8.150 nan 0.000 0.451 392 E N -1.242 119.042 120.200 0.141 0.000 2.077 392 E HA -0.194 4.156 4.350 0.001 0.000 0.193 392 E C 2.400 179.004 176.600 0.007 0.000 0.989 392 E CA 0.767 57.222 56.400 0.093 0.000 0.800 392 E CB -0.176 29.602 29.700 0.130 0.000 0.746 392 E HN 0.350 nan 8.360 nan 0.000 0.452 393 R N 0.493 120.960 120.500 -0.055 0.000 2.066 393 R HA -0.094 4.246 4.340 0.001 0.000 0.232 393 R C 2.145 178.311 176.300 -0.224 0.000 1.131 393 R CA 0.958 56.921 56.100 -0.228 0.000 0.955 393 R CB -0.865 29.119 30.300 -0.528 0.000 0.851 393 R HN 0.237 nan 8.270 nan 0.000 0.432 394 F N 1.754 121.377 119.950 -0.545 0.000 2.063 394 F HA -0.361 4.166 4.527 0.001 0.000 0.298 394 F C 2.211 177.606 175.800 -0.674 0.000 1.109 394 F CA 2.049 59.592 58.000 -0.762 0.000 1.212 394 F CB -0.255 37.912 39.000 -1.388 0.000 0.973 394 F HN 0.124 nan 8.300 nan 0.000 0.480 395 D N 0.357 120.403 120.400 -0.590 0.000 2.133 395 D HA -0.240 4.400 4.640 0.001 0.000 0.195 395 D C 2.149 178.291 176.300 -0.263 0.000 0.997 395 D CA 1.527 55.248 54.000 -0.465 0.000 0.840 395 D CB -0.407 40.316 40.800 -0.129 0.000 0.947 395 D HN 0.381 nan 8.370 nan 0.000 0.452 396 A N 0.603 123.309 122.820 -0.191 0.000 1.877 396 A HA -0.191 4.129 4.320 0.001 0.000 0.216 396 A C 2.162 179.659 177.584 -0.146 0.000 1.186 396 A CA 1.724 53.696 52.037 -0.108 0.000 0.620 396 A CB -0.612 18.345 19.000 -0.071 0.000 0.822 396 A HN 0.333 nan 8.150 nan 0.000 0.443 397 E N -0.525 119.544 120.200 -0.218 0.000 2.058 397 E HA -0.209 4.142 4.350 0.001 0.000 0.194 397 E C 1.936 178.375 176.600 -0.268 0.000 0.997 397 E CA 1.300 57.568 56.400 -0.221 0.000 0.801 397 E CB -0.365 29.195 29.700 -0.234 0.000 0.746 397 E HN 0.430 nan 8.360 nan 0.000 0.450 398 L N 0.958 121.929 121.223 -0.421 0.000 2.042 398 L HA -0.203 4.138 4.340 0.001 0.000 0.210 398 L C 2.504 179.279 176.870 -0.158 0.000 1.076 398 L CA 1.838 56.465 54.840 -0.355 0.000 0.749 398 L CB -0.883 40.844 42.059 -0.553 0.000 0.893 398 L HN 0.135 nan 8.230 nan 0.000 0.432 399 T N -1.530 112.932 114.554 -0.153 0.000 2.701 399 T HA -0.176 4.175 4.350 0.001 0.000 0.263 399 T C 2.089 176.660 174.700 -0.214 0.000 1.040 399 T CA 0.823 62.841 62.100 -0.137 0.000 1.147 399 T CB -0.198 68.625 68.868 -0.076 0.000 0.865 399 T HN 0.160 nan 8.240 nan 0.000 0.426 400 R N 1.040 121.451 120.500 -0.150 0.000 2.133 400 R HA -0.173 4.167 4.340 0.001 0.000 0.245 400 R C 2.657 178.832 176.300 -0.208 0.000 1.137 400 R CA 1.955 57.977 56.100 -0.129 0.000 0.947 400 R CB -0.924 29.340 30.300 -0.060 0.000 0.865 400 R HN 0.448 nan 8.270 nan 0.000 0.437 401 A N 0.586 123.287 122.820 -0.198 0.000 1.858 401 A HA -0.197 4.123 4.320 0.001 0.000 0.216 401 A C 2.277 179.701 177.584 -0.266 0.000 1.190 401 A CA 1.619 53.519 52.037 -0.229 0.000 0.617 401 A CB -0.589 18.314 19.000 -0.162 0.000 0.827 401 A HN 0.346 nan 8.150 nan 0.000 0.443 402 R N -1.202 119.182 120.500 -0.194 0.000 2.103 402 R HA -0.133 4.207 4.340 0.001 0.000 0.242 402 R C 1.676 177.818 176.300 -0.263 0.000 1.142 402 R CA 1.880 57.872 56.100 -0.181 0.000 0.960 402 R CB -0.237 29.983 30.300 -0.135 0.000 0.858 402 R HN 0.422 nan 8.270 nan 0.000 0.439 403 M N 0.476 119.854 119.600 -0.371 0.000 2.659 403 M HA -0.044 4.436 4.480 0.001 0.000 0.243 403 M C 1.778 177.849 176.300 -0.381 0.000 1.111 403 M CA 0.717 55.764 55.300 -0.422 0.000 1.070 403 M CB -0.301 31.833 32.600 -0.776 0.000 1.525 403 M HN 0.245 nan 8.290 nan 0.000 0.517 404 L N -1.175 119.771 121.223 -0.462 0.000 2.056 404 L HA -0.118 4.223 4.340 0.001 0.000 0.207 404 L C 0.453 176.970 176.870 -0.588 0.000 1.078 404 L CA 1.133 55.596 54.840 -0.627 0.000 0.749 404 L CB -0.083 41.362 42.059 -1.023 0.000 0.901 404 L HN 0.168 nan 8.230 nan 0.000 0.433 405 Y N -2.069 118.149 120.300 -0.137 0.000 2.659 405 Y HA 0.426 4.976 4.550 0.001 0.000 0.333 405 Y C -2.226 173.519 175.900 -0.259 0.000 1.064 405 Y CA -3.070 54.936 58.100 -0.157 0.000 1.141 405 Y CB 0.069 38.457 38.460 -0.119 0.000 1.316 405 Y HN -0.274 nan 8.280 nan 0.000 0.509 406 P HA 0.023 nan 4.420 nan 0.000 0.271 406 P C 0.355 177.371 177.300 -0.474 0.000 1.216 406 P CA -0.028 62.627 63.100 -0.743 0.000 0.776 406 P CB 0.647 31.669 31.700 -1.130 0.000 0.881 407 E N 2.315 122.354 120.200 -0.267 0.000 2.147 407 E HA -0.346 4.004 4.350 0.001 0.000 0.199 407 E C 0.879 177.303 176.600 -0.293 0.000 1.005 407 E CA 1.576 57.875 56.400 -0.168 0.000 0.810 407 E CB -0.576 29.114 29.700 -0.016 0.000 0.736 407 E HN 0.411 nan 8.360 nan 0.000 0.460 408 Q N 0.783 120.301 119.800 -0.470 0.000 2.234 408 Q HA -0.062 4.279 4.340 0.001 0.000 0.206 408 Q C 2.056 177.631 176.000 -0.708 0.000 0.980 408 Q CA 2.030 57.469 55.803 -0.607 0.000 0.869 408 Q CB -0.222 27.985 28.738 -0.886 0.000 0.912 408 Q HN 0.525 nan 8.270 nan 0.000 0.436 409 A N 0.214 122.591 122.820 -0.738 0.000 1.887 409 A HA 0.222 4.542 4.320 0.001 0.000 0.212 409 A C 2.237 179.695 177.584 -0.211 0.000 1.198 409 A CA 0.915 52.686 52.037 -0.442 0.000 0.628 409 A CB -0.846 17.953 19.000 -0.335 0.000 0.847 409 A HN 0.331 nan 8.150 nan 0.000 0.449 410 A N -0.330 122.395 122.820 -0.159 0.000 1.917 410 A HA -0.267 4.053 4.320 0.001 0.000 0.219 410 A C 2.041 179.543 177.584 -0.136 0.000 1.182 410 A CA 1.776 53.760 52.037 -0.088 0.000 0.633 410 A CB -0.665 18.274 19.000 -0.100 0.000 0.819 410 A HN 0.617 nan 8.150 nan 0.000 0.448 411 Q N -1.316 118.381 119.800 -0.172 0.000 2.437 411 Q HA -0.057 4.283 4.340 0.001 0.000 0.210 411 Q C 1.666 177.581 176.000 -0.142 0.000 0.972 411 Q CA 0.788 56.490 55.803 -0.169 0.000 0.903 411 Q CB -0.133 28.508 28.738 -0.162 0.000 0.967 411 Q HN 0.708 nan 8.270 nan 0.000 0.486 412 G N -0.448 108.279 108.800 -0.121 0.000 3.062 412 G HA2 0.175 4.135 3.960 0.001 0.000 0.228 412 G HA3 0.175 4.135 3.960 0.001 0.000 0.228 412 G C 0.401 175.319 174.900 0.029 0.000 1.094 412 G CA -0.365 44.697 45.100 -0.063 0.000 0.782 412 G HN 0.071 nan 8.290 nan 0.000 0.541 413 L N 1.180 122.398 121.223 -0.008 0.000 2.559 413 L HA 0.060 4.400 4.340 0.001 0.000 0.282 413 L C 0.025 176.985 176.870 0.150 0.000 1.232 413 L CA -0.624 54.240 54.840 0.041 0.000 0.885 413 L CB 0.393 42.458 42.059 0.010 0.000 1.131 413 L HN 0.129 nan 8.230 nan 0.000 0.498 414 W N 3.672 124.879 121.300 -0.155 0.000 2.546 414 W HA 0.131 4.792 4.660 0.000 0.000 0.323 414 W C 0.181 176.571 176.519 -0.215 0.000 1.272 414 W CA -0.811 56.434 57.345 -0.167 0.000 1.404 414 W CB -0.492 28.888 29.460 -0.132 0.000 1.411 414 W HN 0.373 nan 8.180 nan 0.000 0.480 415 N N 5.396 123.937 118.700 -0.265 0.000 2.521 415 N HA 0.184 4.924 4.740 0.001 0.000 0.236 415 N C -0.293 174.975 175.510 -0.403 0.000 1.067 415 N CA -0.261 52.378 53.050 -0.686 0.000 0.939 415 N CB 0.412 38.005 38.487 -1.491 0.000 1.201 415 N HN 0.399 nan 8.380 nan 0.000 0.511 416 L N -1.203 119.999 121.223 -0.035 0.000 2.375 416 L HA 0.557 4.897 4.340 0.001 0.000 0.268 416 L C 0.440 177.478 176.870 0.280 0.000 1.058 416 L CA -0.773 54.143 54.840 0.126 0.000 0.803 416 L CB 1.257 43.432 42.059 0.194 0.000 1.212 416 L HN 0.199 nan 8.230 nan 0.000 0.451 417 L N 0.099 121.454 121.223 0.221 0.000 2.470 417 L HA 0.272 4.612 4.340 0.001 0.000 0.219 417 L C -0.469 176.599 176.870 0.329 0.000 1.071 417 L CA 0.248 55.201 54.840 0.189 0.000 0.850 417 L CB 0.039 42.053 42.059 -0.076 0.000 1.040 417 L HN 0.931 nan 8.230 nan 0.000 0.475 418 D N -2.320 118.227 120.400 0.246 0.000 2.738 418 D HA 0.453 5.093 4.640 0.001 0.000 0.308 418 D C -0.690 175.551 176.300 -0.098 0.000 1.311 418 D CA -0.349 53.737 54.000 0.144 0.000 0.799 418 D CB 1.105 42.027 40.800 0.204 0.000 1.332 418 D HN -0.060 nan 8.370 nan 0.000 0.441 419 S N -2.122 113.350 115.700 -0.379 0.000 2.800 419 S HA 0.349 4.819 4.470 0.001 0.000 0.293 419 S C 0.535 174.645 174.600 -0.816 0.000 1.209 419 S CA -0.580 57.241 58.200 -0.632 0.000 0.884 419 S CB 0.460 63.606 63.200 -0.090 0.000 1.244 419 S HN 0.819 nan 8.310 nan 0.000 0.540 420 H N 0.206 118.915 119.070 -0.601 0.000 2.559 420 H HA 0.230 4.786 4.556 0.000 0.000 0.273 420 H C -0.092 175.117 175.328 -0.199 0.000 1.000 420 H CA 0.904 56.751 56.048 -0.337 0.000 1.195 420 H CB -0.618 28.921 29.762 -0.372 0.000 1.368 420 H HN 0.548 nan 8.280 nan 0.000 0.592 421 D N 1.303 121.445 120.400 -0.429 0.000 2.363 421 D HA 0.062 4.702 4.640 0.001 0.000 0.214 421 D C 0.561 176.789 176.300 -0.121 0.000 1.093 421 D CA 0.500 54.330 54.000 -0.283 0.000 0.837 421 D CB 0.896 41.488 40.800 -0.346 0.000 0.948 421 D HN 0.557 nan 8.370 nan 0.000 0.507 422 T N -2.023 112.471 114.554 -0.100 0.000 2.865 422 T HA 0.529 4.880 4.350 0.001 0.000 0.294 422 T C -0.243 174.452 174.700 -0.008 0.000 1.119 422 T CA -0.931 61.157 62.100 -0.020 0.000 1.007 422 T CB 2.429 71.317 68.868 0.033 0.000 1.225 422 T HN -0.203 nan 8.240 nan 0.000 0.515 423 E N 0.671 120.882 120.200 0.018 0.000 2.342 423 E HA 0.530 4.880 4.350 0.001 0.000 0.257 423 E C -0.098 176.541 176.600 0.065 0.000 1.150 423 E CA -1.101 55.314 56.400 0.025 0.000 0.926 423 E CB 0.410 30.110 29.700 -0.001 0.000 1.074 423 E HN 0.370 nan 8.360 nan 0.000 0.449 424 R N 0.546 121.088 120.500 0.070 0.000 2.623 424 R HA 0.026 4.366 4.340 0.001 0.000 0.271 424 R C 0.571 176.948 176.300 0.129 0.000 1.043 424 R CA -0.100 56.075 56.100 0.124 0.000 1.083 424 R CB -0.191 30.128 30.300 0.032 0.000 0.974 424 R HN 0.668 nan 8.270 nan 0.000 0.436 425 F N 1.650 121.693 119.950 0.154 0.000 2.250 425 F HA -0.163 4.365 4.527 0.001 0.000 0.301 425 F C 2.062 177.943 175.800 0.135 0.000 1.077 425 F CA 1.159 59.300 58.000 0.235 0.000 1.348 425 F CB -0.040 39.253 39.000 0.487 0.000 1.040 425 F HN 0.471 nan 8.300 nan 0.000 0.509 426 L N -0.853 120.334 121.223 -0.060 0.000 2.046 426 L HA -0.257 4.083 4.340 0.001 0.000 0.208 426 L C 2.313 179.086 176.870 -0.162 0.000 1.077 426 L CA 1.807 56.483 54.840 -0.273 0.000 0.747 426 L CB -0.627 41.158 42.059 -0.456 0.000 0.896 426 L HN 0.075 nan 8.230 nan 0.000 0.432 427 T N -1.281 113.194 114.554 -0.132 0.000 2.777 427 T HA -0.156 4.194 4.350 0.001 0.000 0.266 427 T C 1.987 176.602 174.700 -0.142 0.000 1.040 427 T CA 1.565 63.597 62.100 -0.113 0.000 1.141 427 T CB -0.074 68.747 68.868 -0.079 0.000 0.868 427 T HN 0.338 nan 8.240 nan 0.000 0.444 428 S N 0.529 116.103 115.700 -0.210 0.000 2.400 428 S HA -0.108 4.362 4.470 0.001 0.000 0.232 428 S C 1.990 176.428 174.600 -0.271 0.000 1.025 428 S CA 0.804 58.833 58.200 -0.285 0.000 0.993 428 S CB -0.424 62.467 63.200 -0.515 0.000 0.808 428 S HN 0.578 nan 8.310 nan 0.000 0.478 429 C N 1.286 120.438 119.300 -0.246 0.000 2.613 429 C HA 0.444 4.904 4.460 0.001 0.000 0.273 429 C C 1.821 176.747 174.990 -0.106 0.000 1.304 429 C CA -0.432 58.495 59.018 -0.152 0.000 1.702 429 C CB -1.533 26.176 27.740 -0.051 0.000 1.792 429 C HN 0.710 nan 8.230 nan 0.000 0.588 430 G N 0.692 109.428 108.800 -0.107 0.000 2.273 430 G HA2 0.047 4.007 3.960 0.001 0.000 0.280 430 G HA3 0.047 4.007 3.960 0.001 0.000 0.280 430 G C 0.990 175.848 174.900 -0.070 0.000 1.047 430 G CA 0.531 45.583 45.100 -0.080 0.000 0.869 430 G HN 1.472 nan 8.290 nan 0.000 0.502 431 G N -0.971 107.779 108.800 -0.083 0.000 2.189 431 G HA2 -0.372 3.588 3.960 0.001 0.000 0.267 431 G HA3 -0.372 3.588 3.960 0.001 0.000 0.267 431 G C 0.342 175.206 174.900 -0.059 0.000 0.975 431 G CA 0.884 45.937 45.100 -0.079 0.000 0.644 431 G HN 1.446 nan 8.290 nan 0.000 0.537 432 N N 0.724 119.393 118.700 -0.052 0.000 2.400 432 N HA 0.232 4.973 4.740 0.001 0.000 0.267 432 N C 1.267 176.768 175.510 -0.015 0.000 1.208 432 N CA 0.454 53.478 53.050 -0.043 0.000 0.951 432 N CB 0.157 38.599 38.487 -0.075 0.000 1.227 432 N HN 0.548 nan 8.380 nan 0.000 0.488 433 E N 3.531 123.731 120.200 0.000 0.000 2.268 433 E HA -0.184 4.166 4.350 0.001 0.000 0.195 433 E C 1.613 178.238 176.600 0.040 0.000 0.995 433 E CA 0.934 57.367 56.400 0.055 0.000 0.836 433 E CB 0.106 29.827 29.700 0.034 0.000 0.763 433 E HN 0.767 nan 8.360 nan 0.000 0.491 434 A N 1.456 124.255 122.820 -0.034 0.000 1.858 434 A HA -0.217 4.103 4.320 0.001 0.000 0.216 434 A C 2.031 179.475 177.584 -0.233 0.000 1.190 434 A CA 1.739 53.717 52.037 -0.097 0.000 0.617 434 A CB -0.317 18.654 19.000 -0.049 0.000 0.827 434 A HN 0.156 nan 8.150 nan 0.000 0.443 435 K N -1.593 118.607 120.400 -0.334 0.000 2.025 435 K HA -0.079 4.241 4.320 0.001 0.000 0.207 435 K C 1.853 178.446 176.600 -0.012 0.000 1.049 435 K CA 1.439 57.540 56.287 -0.310 0.000 0.933 435 K CB -0.420 31.917 32.500 -0.273 0.000 0.714 435 K HN 0.442 nan 8.250 nan 0.000 0.438 436 F N 2.552 122.484 119.950 -0.030 0.000 2.063 436 F HA -0.269 4.259 4.527 0.001 0.000 0.298 436 F C 2.231 178.060 175.800 0.049 0.000 1.109 436 F CA 1.641 59.713 58.000 0.119 0.000 1.212 436 F CB -0.149 38.935 39.000 0.139 0.000 0.973 436 F HN -0.128 nan 8.300 nan 0.000 0.480 437 R N -0.289 120.195 120.500 -0.027 0.000 2.091 437 R HA -0.190 4.151 4.340 0.001 0.000 0.238 437 R C 2.143 178.353 176.300 -0.149 0.000 1.136 437 R CA 1.676 57.654 56.100 -0.203 0.000 0.959 437 R CB -0.875 29.171 30.300 -0.423 0.000 0.856 437 R HN 0.351 nan 8.270 nan 0.000 0.437 438 L N 0.407 121.556 121.223 -0.124 0.000 2.131 438 L HA -0.104 4.236 4.340 0.001 0.000 0.210 438 L C 2.077 178.764 176.870 -0.305 0.000 1.092 438 L CA 1.837 56.637 54.840 -0.067 0.000 0.759 438 L CB -0.562 41.524 42.059 0.046 0.000 0.903 438 L HN 0.181 nan 8.230 nan 0.000 0.435 439 A N -1.454 121.038 122.820 -0.546 0.000 1.898 439 A HA -0.111 4.209 4.320 0.001 0.000 0.216 439 A C 2.195 179.486 177.584 -0.488 0.000 1.181 439 A CA 1.774 53.295 52.037 -0.861 0.000 0.620 439 A CB -0.877 17.732 19.000 -0.652 0.000 0.819 439 A HN 0.270 nan 8.150 nan 0.000 0.442 440 V N -0.158 119.481 119.914 -0.458 0.000 2.427 440 V HA -0.190 3.930 4.120 0.001 0.000 0.248 440 V C 2.438 178.399 176.094 -0.223 0.000 1.051 440 V CA 1.653 63.717 62.300 -0.393 0.000 1.048 440 V CB -0.874 30.636 31.823 -0.521 0.000 0.666 440 V HN 0.563 nan 8.190 nan 0.000 0.456 441 L N 0.090 121.278 121.223 -0.058 0.000 2.042 441 L HA -0.176 4.164 4.340 0.001 0.000 0.210 441 L C 2.173 179.110 176.870 0.111 0.000 1.076 441 L CA 2.076 56.942 54.840 0.043 0.000 0.749 441 L CB -0.826 41.348 42.059 0.192 0.000 0.893 441 L HN 0.356 nan 8.230 nan 0.000 0.432 442 F N -0.174 119.782 119.950 0.010 0.000 2.084 442 F HA -0.248 4.279 4.527 0.000 0.000 0.296 442 F C 2.678 178.583 175.800 0.175 0.000 1.111 442 F CA 1.984 60.088 58.000 0.173 0.000 1.224 442 F CB -0.339 38.727 39.000 0.111 0.000 0.991 442 F HN 0.231 nan 8.300 nan 0.000 0.471 443 Q N -0.088 119.669 119.800 -0.071 0.000 2.077 443 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 443 Q C 1.994 177.891 176.000 -0.172 0.000 0.989 443 Q CA 1.987 57.752 55.803 -0.064 0.000 0.853 443 Q CB -0.139 28.606 28.738 0.012 0.000 0.907 443 Q HN 0.399 nan 8.270 nan 0.000 0.418 444 M N -0.198 119.295 119.600 -0.179 0.000 2.630 444 M HA -0.040 4.440 4.480 0.001 0.000 0.254 444 M C 1.613 177.829 176.300 -0.141 0.000 1.092 444 M CA 1.313 56.493 55.300 -0.199 0.000 1.087 444 M CB -0.297 32.140 32.600 -0.273 0.000 1.453 444 M HN 0.330 nan 8.290 nan 0.000 0.509 445 T N -4.531 109.983 114.554 -0.066 0.000 3.004 445 T HA 0.098 4.448 4.350 0.001 0.000 0.266 445 T C 0.212 174.980 174.700 0.114 0.000 0.986 445 T CA -0.421 61.711 62.100 0.054 0.000 0.902 445 T CB -0.008 68.980 68.868 0.200 0.000 1.118 445 T HN 0.133 nan 8.240 nan 0.000 0.522 446 Y N 1.704 121.837 120.300 -0.280 0.000 2.340 446 Y HA 0.599 5.149 4.550 0.000 0.000 0.327 446 Y C 0.064 175.809 175.900 -0.259 0.000 1.321 446 Y CA -2.232 55.613 58.100 -0.425 0.000 1.433 446 Y CB 0.659 38.558 38.460 -0.935 0.000 1.373 446 Y HN 0.142 nan 8.280 nan 0.000 0.538 447 L N 3.442 123.877 121.223 -1.314 0.000 2.530 447 L HA 0.447 4.787 4.340 0.001 0.000 0.273 447 L C 0.141 176.701 176.870 -0.518 0.000 1.141 447 L CA 1.453 55.788 54.840 -0.842 0.000 0.905 447 L CB -0.822 40.687 42.059 -0.917 0.000 1.202 447 L HN 0.831 nan 8.230 nan 0.000 0.473 448 G N 2.274 110.885 108.800 -0.315 0.000 2.359 448 G HA2 0.184 4.145 3.960 0.001 0.000 0.303 448 G HA3 0.184 4.145 3.960 0.001 0.000 0.303 448 G C -0.712 174.058 174.900 -0.216 0.000 1.293 448 G CA -0.422 44.541 45.100 -0.229 0.000 0.964 448 G HN 0.829 nan 8.290 nan 0.000 0.531 449 T N -0.177 114.261 114.554 -0.194 0.000 2.749 449 T HA 0.708 5.058 4.350 0.001 0.000 0.287 449 T C -2.668 171.847 174.700 -0.309 0.000 0.970 449 T CA -1.623 60.342 62.100 -0.226 0.000 0.980 449 T CB 1.795 70.536 68.868 -0.212 0.000 0.924 449 T HN 0.363 nan 8.240 nan 0.000 0.456 450 P HA 0.294 nan 4.420 nan 0.000 0.268 450 P C -0.962 176.179 177.300 -0.265 0.000 1.204 450 P CA -0.630 62.315 63.100 -0.259 0.000 0.768 450 P CB 0.426 32.012 31.700 -0.191 0.000 0.842 451 L N 5.255 126.346 121.223 -0.220 0.000 2.343 451 L HA 0.471 4.811 4.340 0.001 0.000 0.278 451 L C -1.075 175.782 176.870 -0.022 0.000 0.996 451 L CA -0.362 54.360 54.840 -0.198 0.000 0.831 451 L CB 0.586 42.507 42.059 -0.231 0.000 1.232 451 L HN 0.239 nan 8.230 nan 0.000 0.413 452 I N 4.967 125.552 120.570 0.024 0.000 2.365 452 I HA 0.180 4.351 4.170 0.001 0.000 0.291 452 I C -0.920 175.179 176.117 -0.031 0.000 1.004 452 I CA -0.771 60.583 61.300 0.090 0.000 1.311 452 I CB 1.102 39.224 38.000 0.205 0.000 1.401 452 I HN 0.573 nan 8.210 nan 0.000 0.491 453 Y N 8.433 128.674 120.300 -0.099 0.000 2.336 453 Y HA 0.176 4.726 4.550 0.001 0.000 0.335 453 Y C -0.053 175.662 175.900 -0.308 0.000 1.046 453 Y CA -1.537 56.475 58.100 -0.146 0.000 1.198 453 Y CB 0.288 38.739 38.460 -0.015 0.000 1.182 453 Y HN 0.444 nan 8.280 nan 0.000 0.502 454 Y N 5.260 125.059 120.300 -0.836 0.000 2.944 454 Y HA 0.261 4.812 4.550 0.000 0.000 0.340 454 Y C 1.050 176.685 175.900 -0.442 0.000 1.275 454 Y CA 0.487 58.177 58.100 -0.683 0.000 1.590 454 Y CB -0.134 38.069 38.460 -0.429 0.000 1.218 454 Y HN 0.978 nan 8.280 nan 0.000 0.576 455 G N 3.192 111.835 108.800 -0.261 0.000 2.284 455 G HA2 -0.352 3.608 3.960 0.001 0.000 0.230 455 G HA3 -0.352 3.608 3.960 0.001 0.000 0.230 455 G C 0.885 175.643 174.900 -0.237 0.000 1.021 455 G CA 0.273 45.177 45.100 -0.327 0.000 0.619 455 G HN 0.628 nan 8.290 nan 0.000 0.510 456 D N 1.564 121.831 120.400 -0.221 0.000 2.190 456 D HA -0.057 4.584 4.640 0.001 0.000 0.200 456 D C 2.214 178.479 176.300 -0.057 0.000 0.992 456 D CA 1.656 55.636 54.000 -0.034 0.000 0.854 456 D CB -0.182 40.743 40.800 0.208 0.000 0.936 456 D HN 0.758 nan 8.370 nan 0.000 0.462 457 E N 0.619 120.679 120.200 -0.233 0.000 2.331 457 E HA -0.144 4.206 4.350 0.001 0.000 0.199 457 E C 1.896 178.542 176.600 0.077 0.000 1.008 457 E CA 0.666 56.851 56.400 -0.357 0.000 0.843 457 E CB -0.499 29.105 29.700 -0.161 0.000 0.761 457 E HN 0.551 nan 8.360 nan 0.000 0.507 458 I N -4.237 116.372 120.570 0.065 0.000 3.974 458 I HA 0.505 4.675 4.170 0.001 0.000 0.334 458 I C 1.003 177.129 176.117 0.014 0.000 1.437 458 I CA 0.001 61.343 61.300 0.071 0.000 1.113 458 I CB 0.319 38.309 38.000 -0.017 0.000 1.063 458 I HN 0.070 nan 8.210 nan 0.000 0.400 459 G N 1.913 110.709 108.800 -0.006 0.000 2.149 459 G HA2 -0.244 3.716 3.960 0.001 0.000 0.235 459 G HA3 -0.244 3.716 3.960 0.001 0.000 0.235 459 G C 0.088 174.895 174.900 -0.155 0.000 1.018 459 G CA -0.006 45.040 45.100 -0.090 0.000 0.728 459 G HN 0.414 nan 8.290 nan 0.000 0.508 460 M N 0.198 119.699 119.600 -0.166 0.000 2.243 460 M HA 0.517 4.998 4.480 0.001 0.000 0.341 460 M C 0.677 176.868 176.300 -0.181 0.000 1.130 460 M CA 0.970 56.164 55.300 -0.177 0.000 1.162 460 M CB 1.153 33.619 32.600 -0.224 0.000 1.497 460 M HN 0.655 nan 8.290 nan 0.000 0.456 461 A N 1.310 124.043 122.820 -0.146 0.000 2.530 461 A HA 1.035 5.355 4.320 0.001 0.000 0.288 461 A C -0.448 177.085 177.584 -0.085 0.000 1.172 461 A CA -0.202 51.763 52.037 -0.119 0.000 0.733 461 A CB 1.978 20.906 19.000 -0.121 0.000 1.320 461 A HN 0.973 nan 8.150 nan 0.000 0.419 462 G N -1.758 107.007 108.800 -0.060 0.000 2.368 462 G HA2 0.628 4.588 3.960 0.001 0.000 0.303 462 G HA3 0.628 4.588 3.960 0.001 0.000 0.303 462 G C -0.410 174.477 174.900 -0.022 0.000 1.590 462 G CA 0.193 45.269 45.100 -0.040 0.000 0.938 462 G HN 1.936 nan 8.290 nan 0.000 0.675 463 A N 0.371 123.180 122.820 -0.019 0.000 2.280 463 A HA 0.849 5.170 4.320 0.001 0.000 0.268 463 A C 1.304 178.891 177.584 0.004 0.000 1.111 463 A CA 0.907 52.937 52.037 -0.011 0.000 0.814 463 A CB 0.322 19.315 19.000 -0.013 0.000 1.093 463 A HN 2.125 nan 8.150 nan 0.000 0.498 464 T N -0.700 113.858 114.554 0.007 0.000 2.649 464 T HA 0.100 4.450 4.350 0.001 0.000 0.337 464 T C 0.414 175.129 174.700 0.025 0.000 1.070 464 T CA 0.699 62.806 62.100 0.013 0.000 1.052 464 T CB -0.246 68.628 68.868 0.010 0.000 0.994 464 T HN 0.869 nan 8.240 nan 0.000 0.544 465 D N 1.687 122.105 120.400 0.030 0.000 2.836 465 D HA -0.021 4.620 4.640 0.001 0.000 0.220 465 D C -1.836 174.512 176.300 0.080 0.000 1.094 465 D CA -0.670 53.366 54.000 0.060 0.000 0.820 465 D CB 0.668 41.500 40.800 0.053 0.000 1.171 465 D HN 0.300 nan 8.370 nan 0.000 0.507 466 P HA 0.121 nan 4.420 nan 0.000 0.267 466 P C 0.275 177.603 177.300 0.046 0.000 1.289 466 P CA -0.138 63.003 63.100 0.068 0.000 0.866 466 P CB 0.447 32.179 31.700 0.054 0.000 1.309 467 D N -0.184 120.223 120.400 0.012 0.000 2.351 467 D HA -0.130 4.511 4.640 0.001 0.000 0.216 467 D C 1.210 177.521 176.300 0.019 0.000 0.968 467 D CA 0.757 54.757 54.000 -0.000 0.000 0.899 467 D CB -0.347 40.444 40.800 -0.016 0.000 0.907 467 D HN 0.212 nan 8.370 nan 0.000 0.514 468 C N -1.079 118.256 119.300 0.058 0.000 2.594 468 C HA 0.321 4.781 4.460 0.001 0.000 0.265 468 C C 1.332 176.435 174.990 0.189 0.000 1.351 468 C CA -0.643 58.442 59.018 0.111 0.000 1.744 468 C CB -0.931 26.877 27.740 0.114 0.000 1.890 468 C HN 0.029 nan 8.230 nan 0.000 0.551 469 R N 1.564 122.165 120.500 0.169 0.000 3.311 469 R HA 0.271 4.611 4.340 0.001 0.000 0.332 469 R C -0.232 176.144 176.300 0.127 0.000 1.317 469 R CA -0.169 56.090 56.100 0.265 0.000 1.192 469 R CB -0.011 30.465 30.300 0.293 0.000 1.454 469 R HN 0.579 nan 8.270 nan 0.000 0.605 470 R N 1.998 122.498 120.500 -0.000 0.000 2.539 470 R HA 0.196 4.536 4.340 0.001 0.000 0.275 470 R C -2.202 173.928 176.300 -0.284 0.000 1.077 470 R CA -1.916 54.060 56.100 -0.207 0.000 1.097 470 R CB 0.142 30.331 30.300 -0.185 0.000 1.018 470 R HN 0.025 nan 8.270 nan 0.000 0.483 471 P HA -0.094 nan 4.420 nan 0.000 0.263 471 P C -0.092 176.946 177.300 -0.437 0.000 1.195 471 P CA -0.161 62.348 63.100 -0.984 0.000 0.762 471 P CB 0.450 30.935 31.700 -2.026 0.000 0.799 472 M N 4.864 124.451 119.600 -0.021 0.000 2.226 472 M HA -0.046 4.435 4.480 0.001 0.000 0.352 472 M C -0.189 175.984 176.300 -0.211 0.000 1.226 472 M CA 0.797 56.034 55.300 -0.104 0.000 0.943 472 M CB -0.426 31.986 32.600 -0.314 0.000 1.805 472 M HN 0.179 nan 8.290 nan 0.000 0.465 473 I N 6.758 127.111 120.570 -0.362 0.000 2.308 473 I HA -0.015 4.155 4.170 0.001 0.000 0.293 473 I C -0.156 175.748 176.117 -0.355 0.000 1.078 473 I CA 0.401 61.567 61.300 -0.223 0.000 1.292 473 I CB -0.741 37.159 38.000 -0.167 0.000 1.423 473 I HN 0.931 nan 8.210 nan 0.000 0.493 474 W N 3.394 124.683 121.300 -0.018 0.000 3.278 474 W HA 0.151 4.811 4.660 0.000 0.000 0.308 474 W C 0.629 177.071 176.519 -0.129 0.000 1.253 474 W CA -0.420 56.829 57.345 -0.160 0.000 1.759 474 W CB 0.653 29.970 29.460 -0.239 0.000 1.093 474 W HN 0.335 nan 8.180 nan 0.000 0.648 475 E N 1.363 121.629 120.200 0.110 0.000 2.129 475 E HA -0.025 4.325 4.350 0.001 0.000 0.283 475 E C 0.925 177.541 176.600 0.026 0.000 1.080 475 E CA 0.139 56.575 56.400 0.061 0.000 0.867 475 E CB 1.354 31.086 29.700 0.052 0.000 1.056 475 E HN 0.197 nan 8.360 nan 0.000 0.404 476 E N 3.841 124.055 120.200 0.023 0.000 2.086 476 E HA -0.245 4.106 4.350 0.001 0.000 0.200 476 E C 0.913 177.519 176.600 0.010 0.000 1.012 476 E CA 1.737 58.142 56.400 0.009 0.000 0.812 476 E CB 0.164 29.873 29.700 0.014 0.000 0.743 476 E HN 0.274 nan 8.360 nan 0.000 0.453 477 K N -0.514 119.896 120.400 0.016 0.000 2.525 477 K HA -0.066 4.254 4.320 0.001 0.000 0.192 477 K C 0.966 177.574 176.600 0.014 0.000 1.029 477 K CA 0.694 56.992 56.287 0.018 0.000 1.029 477 K CB 0.169 32.680 32.500 0.019 0.000 0.814 477 K HN 0.045 nan 8.250 nan 0.000 0.503 478 E N 0.413 120.617 120.200 0.007 0.000 2.562 478 E HA 0.050 4.400 4.350 0.001 0.000 0.214 478 E C -0.553 176.038 176.600 -0.016 0.000 0.979 478 E CA 0.024 56.423 56.400 -0.001 0.000 1.002 478 E CB 0.574 30.276 29.700 0.003 0.000 1.048 478 E HN 0.137 nan 8.360 nan 0.000 0.488 479 Q N 0.073 119.863 119.800 -0.017 0.000 2.214 479 Q HA 0.300 4.641 4.340 0.001 0.000 0.251 479 Q C -0.430 175.579 176.000 0.015 0.000 0.936 479 Q CA -0.762 55.025 55.803 -0.026 0.000 0.894 479 Q CB 0.967 29.668 28.738 -0.062 0.000 1.252 479 Q HN -0.051 nan 8.270 nan 0.000 0.448 480 N N 1.825 120.548 118.700 0.039 0.000 2.868 480 N HA 0.030 4.770 4.740 0.001 0.000 0.252 480 N C 0.285 175.889 175.510 0.156 0.000 1.130 480 N CA 0.083 53.183 53.050 0.084 0.000 1.026 480 N CB 0.350 38.887 38.487 0.083 0.000 1.335 480 N HN 0.463 nan 8.380 nan 0.000 0.516 481 R N 1.426 122.014 120.500 0.147 0.000 2.237 481 R HA -0.043 4.297 4.340 0.001 0.000 0.219 481 R C 1.611 178.079 176.300 0.279 0.000 1.080 481 R CA 0.782 57.018 56.100 0.228 0.000 0.995 481 R CB -0.399 30.001 30.300 0.166 0.000 0.875 481 R HN 0.534 nan 8.270 nan 0.000 0.462 482 G N 0.899 109.825 108.800 0.211 0.000 2.421 482 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 482 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 482 G C 1.556 176.629 174.900 0.289 0.000 1.171 482 G CA 0.187 45.411 45.100 0.206 0.000 0.775 482 G HN 0.204 nan 8.290 nan 0.000 0.543 483 L N -0.814 120.598 121.223 0.314 0.000 2.056 483 L HA 0.047 4.387 4.340 0.001 0.000 0.207 483 L C 2.560 179.751 176.870 0.536 0.000 1.078 483 L CA 0.945 56.058 54.840 0.455 0.000 0.749 483 L CB -0.321 41.993 42.059 0.425 0.000 0.901 483 L HN 0.300 nan 8.230 nan 0.000 0.433 484 F N 0.865 120.972 119.950 0.262 0.000 2.120 484 F HA -0.324 4.203 4.527 0.001 0.000 0.300 484 F C 2.473 178.402 175.800 0.216 0.000 1.095 484 F CA 1.831 59.955 58.000 0.207 0.000 1.249 484 F CB 0.150 39.248 39.000 0.164 0.000 0.995 484 F HN 0.037 nan 8.300 nan 0.000 0.480 485 E N -0.059 120.291 120.200 0.250 0.000 2.106 485 E HA -0.199 4.151 4.350 0.001 0.000 0.192 485 E C 1.910 178.569 176.600 0.098 0.000 0.984 485 E CA 1.258 57.718 56.400 0.101 0.000 0.806 485 E CB -0.600 29.209 29.700 0.182 0.000 0.750 485 E HN 0.554 nan 8.360 nan 0.000 0.458 486 F N -0.728 119.277 119.950 0.092 0.000 2.102 486 F HA -0.265 4.262 4.527 0.000 0.000 0.298 486 F C 1.728 177.532 175.800 0.006 0.000 1.105 486 F CA 1.418 59.455 58.000 0.062 0.000 1.239 486 F CB -0.228 38.840 39.000 0.114 0.000 0.991 486 F HN 0.076 nan 8.300 nan 0.000 0.474 487 Y N 1.056 121.266 120.300 -0.148 0.000 2.128 487 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 487 Y C 2.417 178.120 175.900 -0.328 0.000 1.154 487 Y CA 2.029 59.981 58.100 -0.248 0.000 1.149 487 Y CB -0.606 37.799 38.460 -0.092 0.000 0.976 487 Y HN -0.005 nan 8.280 nan 0.000 0.505 488 K N -0.178 120.102 120.400 -0.199 0.000 2.074 488 K HA -0.272 4.049 4.320 0.001 0.000 0.209 488 K C 2.099 178.567 176.600 -0.219 0.000 1.048 488 K CA 1.882 58.014 56.287 -0.258 0.000 0.926 488 K CB -0.208 32.099 32.500 -0.323 0.000 0.713 488 K HN 0.406 nan 8.250 nan 0.000 0.444 489 E N 0.938 121.002 120.200 -0.227 0.000 2.107 489 E HA -0.127 4.223 4.350 0.001 0.000 0.191 489 E C 2.018 178.450 176.600 -0.280 0.000 0.982 489 E CA 0.506 56.780 56.400 -0.210 0.000 0.809 489 E CB 0.115 29.720 29.700 -0.159 0.000 0.756 489 E HN 0.219 nan 8.360 nan 0.000 0.459 490 L N 0.661 121.633 121.223 -0.419 0.000 2.027 490 L HA -0.162 4.179 4.340 0.001 0.000 0.206 490 L C 2.554 179.212 176.870 -0.353 0.000 1.074 490 L CA 0.905 55.489 54.840 -0.427 0.000 0.745 490 L CB -0.301 41.395 42.059 -0.604 0.000 0.898 490 L HN 0.239 nan 8.230 nan 0.000 0.433 491 I N -0.631 119.730 120.570 -0.347 0.000 2.264 491 I HA -0.313 3.858 4.170 0.001 0.000 0.248 491 I C 2.780 178.641 176.117 -0.427 0.000 1.111 491 I CA 1.232 62.304 61.300 -0.379 0.000 1.382 491 I CB -0.308 37.533 38.000 -0.265 0.000 1.060 491 I HN 0.224 nan 8.210 nan 0.000 0.418 492 R N 0.395 120.739 120.500 -0.260 0.000 2.075 492 R HA -0.115 4.225 4.340 0.001 0.000 0.232 492 R C 2.352 178.547 176.300 -0.175 0.000 1.126 492 R CA 1.212 57.216 56.100 -0.160 0.000 0.963 492 R CB -0.311 29.923 30.300 -0.111 0.000 0.858 492 R HN 0.365 nan 8.270 nan 0.000 0.435 493 L N 0.049 121.146 121.223 -0.210 0.000 2.046 493 L HA -0.186 4.155 4.340 0.001 0.000 0.208 493 L C 2.763 179.499 176.870 -0.223 0.000 1.077 493 L CA 1.254 55.968 54.840 -0.211 0.000 0.747 493 L CB -0.350 41.590 42.059 -0.199 0.000 0.896 493 L HN 0.175 nan 8.230 nan 0.000 0.432 494 R N -0.530 119.811 120.500 -0.265 0.000 2.105 494 R HA -0.203 4.137 4.340 0.001 0.000 0.239 494 R C 2.074 178.268 176.300 -0.176 0.000 1.135 494 R CA 1.756 57.702 56.100 -0.258 0.000 0.967 494 R CB -0.255 29.834 30.300 -0.352 0.000 0.861 494 R HN 0.497 nan 8.270 nan 0.000 0.442 495 H N -1.115 117.884 119.070 -0.119 0.000 2.529 495 H HA 0.006 4.562 4.556 0.000 0.000 0.277 495 H C 1.822 177.085 175.328 -0.107 0.000 0.999 495 H CA 1.063 57.052 56.048 -0.098 0.000 1.256 495 H CB 0.302 30.014 29.762 -0.082 0.000 1.402 495 H HN 0.326 nan 8.280 nan 0.000 0.566 496 R N 0.330 120.807 120.500 -0.038 0.000 2.254 496 R HA 0.153 4.494 4.340 0.001 0.000 0.193 496 R C -0.057 176.135 176.300 -0.181 0.000 0.929 496 R CA 0.076 56.113 56.100 -0.104 0.000 1.038 496 R CB 0.317 30.533 30.300 -0.140 0.000 1.009 496 R HN 0.080 nan 8.270 nan 0.000 0.512 497 L N 2.160 123.252 121.223 -0.219 0.000 2.264 497 L HA 0.408 4.748 4.340 0.001 0.000 0.287 497 L C 1.200 177.982 176.870 -0.146 0.000 1.039 497 L CA -0.582 54.101 54.840 -0.262 0.000 0.829 497 L CB 1.740 43.590 42.059 -0.348 0.000 1.211 497 L HN 0.157 nan 8.230 nan 0.000 0.427 498 A N 2.237 124.995 122.820 -0.103 0.000 1.917 498 A HA -0.204 4.117 4.320 0.001 0.000 0.219 498 A C 2.299 179.842 177.584 -0.068 0.000 1.182 498 A CA 2.329 54.327 52.037 -0.065 0.000 0.633 498 A CB -0.404 18.571 19.000 -0.041 0.000 0.819 498 A HN 0.769 nan 8.150 nan 0.000 0.448 499 S N 0.364 116.021 115.700 -0.070 0.000 2.387 499 S HA -0.169 4.301 4.470 0.001 0.000 0.230 499 S C 1.683 176.248 174.600 -0.059 0.000 1.035 499 S CA 1.650 59.813 58.200 -0.061 0.000 1.014 499 S CB -0.595 62.580 63.200 -0.042 0.000 0.836 499 S HN 0.532 nan 8.310 nan 0.000 0.466 500 L N 1.346 122.526 121.223 -0.071 0.000 2.291 500 L HA -0.038 4.302 4.340 0.001 0.000 0.214 500 L C 2.524 179.339 176.870 -0.090 0.000 1.120 500 L CA 1.398 56.196 54.840 -0.069 0.000 0.799 500 L CB -0.844 41.160 42.059 -0.091 0.000 0.925 500 L HN 0.550 nan 8.230 nan 0.000 0.446 501 T N -4.999 109.505 114.554 -0.084 0.000 2.987 501 T HA 0.123 4.473 4.350 0.001 0.000 0.248 501 T C 1.678 176.328 174.700 -0.083 0.000 0.997 501 T CA -0.314 61.736 62.100 -0.083 0.000 1.013 501 T CB 0.214 69.050 68.868 -0.052 0.000 1.077 501 T HN 0.162 nan 8.240 nan 0.000 0.483 502 R N 1.050 121.507 120.500 -0.072 0.000 2.508 502 R HA 0.429 4.770 4.340 0.001 0.000 0.300 502 R C 0.937 177.194 176.300 -0.072 0.000 0.970 502 R CA -0.203 55.855 56.100 -0.069 0.000 1.102 502 R CB 1.109 31.378 30.300 -0.051 0.000 1.246 502 R HN 0.409 nan 8.270 nan 0.000 0.539 503 G N 0.948 109.701 108.800 -0.078 0.000 2.511 503 G HA2 0.211 4.171 3.960 0.001 0.000 0.316 503 G HA3 0.211 4.171 3.960 0.001 0.000 0.316 503 G C -0.368 174.482 174.900 -0.084 0.000 1.210 503 G CA -0.619 44.435 45.100 -0.076 0.000 0.969 503 G HN 0.213 nan 8.290 nan 0.000 0.492 504 N N -2.236 116.421 118.700 -0.072 0.000 2.538 504 N HA 0.569 5.309 4.740 0.001 0.000 0.292 504 N C -0.909 174.576 175.510 -0.042 0.000 1.262 504 N CA -0.680 52.328 53.050 -0.069 0.000 0.976 504 N CB 1.526 39.984 38.487 -0.047 0.000 1.161 504 N HN 0.333 nan 8.380 nan 0.000 0.598 505 V N -0.574 119.319 119.914 -0.034 0.000 2.656 505 V HA 0.608 4.728 4.120 0.001 0.000 0.307 505 V C -0.608 175.539 176.094 0.088 0.000 1.051 505 V CA -0.826 61.500 62.300 0.043 0.000 0.893 505 V CB 1.463 33.261 31.823 -0.042 0.000 0.999 505 V HN 0.634 nan 8.190 nan 0.000 0.426 506 R N 1.730 122.328 120.500 0.162 0.000 2.621 506 R HA 0.510 4.850 4.340 0.001 0.000 0.284 506 R C -0.722 175.723 176.300 0.242 0.000 0.998 506 R CA -0.688 55.507 56.100 0.159 0.000 0.895 506 R CB 2.143 32.511 30.300 0.114 0.000 1.195 506 R HN 0.696 nan 8.270 nan 0.000 0.450 507 S N 1.961 117.805 115.700 0.241 0.000 2.516 507 S HA 0.009 4.480 4.470 0.001 0.000 0.282 507 S C 0.383 175.180 174.600 0.328 0.000 1.286 507 S CA -0.349 58.028 58.200 0.295 0.000 1.066 507 S CB 0.541 63.907 63.200 0.277 0.000 0.884 507 S HN 0.632 nan 8.310 nan 0.000 0.491 508 W N 3.809 125.154 121.300 0.075 0.000 2.678 508 W HA 0.229 4.890 4.660 0.000 0.000 0.282 508 W C 0.672 177.268 176.519 0.129 0.000 1.137 508 W CA 0.825 58.207 57.345 0.061 0.000 1.515 508 W CB -0.103 29.352 29.460 -0.009 0.000 1.101 508 W HN 0.752 nan 8.180 nan 0.000 0.564 509 H N -0.897 118.179 119.070 0.010 0.000 3.112 509 H HA 0.491 5.047 4.556 0.000 0.000 0.347 509 H C -1.737 173.621 175.328 0.050 0.000 1.188 509 H CA -0.012 55.984 56.048 -0.086 0.000 1.240 509 H CB 1.626 31.166 29.762 -0.370 0.000 1.920 509 H HN -0.080 nan 8.280 nan 0.000 0.535 510 A N 3.946 126.486 122.820 -0.467 0.000 2.442 510 A HA 0.284 4.605 4.320 0.001 0.000 0.284 510 A C -1.633 175.729 177.584 -0.371 0.000 1.058 510 A CA -0.703 51.218 52.037 -0.193 0.000 0.738 510 A CB 1.470 20.548 19.000 0.130 0.000 1.242 510 A HN 0.607 nan 8.150 nan 0.000 0.421 511 D N 2.324 122.546 120.400 -0.297 0.000 2.414 511 D HA 0.192 4.832 4.640 0.001 0.000 0.232 511 D C 1.040 177.281 176.300 -0.098 0.000 1.070 511 D CA -0.398 53.495 54.000 -0.180 0.000 0.839 511 D CB 1.435 42.173 40.800 -0.104 0.000 1.079 511 D HN 0.511 nan 8.370 nan 0.000 0.521 512 K N 3.085 123.399 120.400 -0.144 0.000 2.152 512 K HA -0.185 4.135 4.320 0.001 0.000 0.206 512 K C 0.864 177.316 176.600 -0.247 0.000 1.048 512 K CA 1.292 57.392 56.287 -0.312 0.000 0.933 512 K CB 0.310 32.510 32.500 -0.500 0.000 0.721 512 K HN 0.453 nan 8.250 nan 0.000 0.447 513 Q N -0.060 119.649 119.800 -0.151 0.000 2.033 513 Q HA 0.011 4.351 4.340 0.001 0.000 0.196 513 Q C 2.172 178.133 176.000 -0.066 0.000 0.970 513 Q CA 1.475 57.215 55.803 -0.104 0.000 0.828 513 Q CB -0.337 28.354 28.738 -0.078 0.000 0.895 513 Q HN 0.428 nan 8.270 nan 0.000 0.440 514 A N 1.096 123.890 122.820 -0.044 0.000 2.067 514 A HA -0.096 4.224 4.320 0.001 0.000 0.217 514 A C 0.789 178.368 177.584 -0.010 0.000 1.156 514 A CA 0.894 52.917 52.037 -0.024 0.000 0.683 514 A CB -0.485 18.514 19.000 -0.002 0.000 0.808 514 A HN 0.560 nan 8.150 nan 0.000 0.455 515 N N -1.895 116.809 118.700 0.007 0.000 2.756 515 N HA -0.153 4.588 4.740 0.001 0.000 0.248 515 N C -0.505 175.075 175.510 0.116 0.000 1.062 515 N CA 0.874 53.965 53.050 0.069 0.000 0.696 515 N CB -1.747 36.750 38.487 0.016 0.000 0.946 515 N HN 0.617 nan 8.380 nan 0.000 0.548 516 L N 0.904 122.189 121.223 0.104 0.000 2.341 516 L HA 0.666 5.007 4.340 0.001 0.000 0.278 516 L C -0.963 176.021 176.870 0.190 0.000 1.005 516 L CA -0.971 53.955 54.840 0.143 0.000 0.818 516 L CB 1.096 43.207 42.059 0.086 0.000 1.259 516 L HN 0.229 nan 8.230 nan 0.000 0.418 517 Y N 4.370 124.733 120.300 0.107 0.000 2.499 517 Y HA 0.813 5.363 4.550 0.000 0.000 0.347 517 Y C -0.831 175.183 175.900 0.189 0.000 0.987 517 Y CA -0.619 57.547 58.100 0.111 0.000 1.044 517 Y CB 2.051 40.589 38.460 0.129 0.000 1.245 517 Y HN 0.777 nan 8.280 nan 0.000 0.461 518 A N 4.843 127.391 122.820 -0.454 0.000 2.549 518 A HA 0.784 5.105 4.320 0.001 0.000 0.297 518 A C -1.989 175.471 177.584 -0.206 0.000 1.061 518 A CA -0.528 51.341 52.037 -0.280 0.000 0.690 518 A CB 1.034 19.832 19.000 -0.336 0.000 1.287 518 A HN 0.832 nan 8.150 nan 0.000 0.402 519 F N -0.844 119.137 119.950 0.052 0.000 2.685 519 F HA 0.870 5.397 4.527 0.000 0.000 0.315 519 F C -1.191 174.746 175.800 0.229 0.000 1.126 519 F CA -1.420 56.664 58.000 0.139 0.000 0.950 519 F CB 1.315 40.386 39.000 0.118 0.000 1.360 519 F HN 0.379 nan 8.300 nan 0.000 0.469 520 V N 2.006 122.055 119.914 0.225 0.000 2.638 520 V HA 0.586 4.706 4.120 0.001 0.000 0.306 520 V C -0.840 175.319 176.094 0.110 0.000 1.052 520 V CA -0.822 61.477 62.300 -0.001 0.000 0.885 520 V CB 1.911 33.593 31.823 -0.234 0.000 0.999 520 V HN 0.709 nan 8.190 nan 0.000 0.424 521 R N 2.392 122.938 120.500 0.077 0.000 2.294 521 R HA 0.734 5.074 4.340 0.001 0.000 0.319 521 R C -0.637 175.624 176.300 -0.065 0.000 0.984 521 R CA -0.420 55.707 56.100 0.046 0.000 0.861 521 R CB 1.637 31.979 30.300 0.069 0.000 1.104 521 R HN 0.725 nan 8.270 nan 0.000 0.451 522 T N 1.185 115.661 114.554 -0.129 0.000 2.879 522 T HA 0.358 4.708 4.350 0.001 0.000 0.290 522 T C -1.034 173.557 174.700 -0.182 0.000 0.993 522 T CA -0.641 61.287 62.100 -0.286 0.000 0.975 522 T CB 2.050 70.659 68.868 -0.432 0.000 0.981 522 T HN 0.292 nan 8.240 nan 0.000 0.439 523 V N 4.914 124.729 119.914 -0.165 0.000 2.524 523 V HA 0.443 4.563 4.120 0.001 0.000 0.297 523 V C 0.020 176.072 176.094 -0.071 0.000 1.035 523 V CA -0.117 62.128 62.300 -0.092 0.000 0.867 523 V CB 0.783 32.569 31.823 -0.063 0.000 1.004 523 V HN 1.079 nan 8.190 nan 0.000 0.426 524 Q N 3.427 123.198 119.800 -0.049 0.000 1.786 524 Q HA -0.257 4.084 4.340 0.001 0.000 0.369 524 Q C 0.132 176.130 176.000 -0.002 0.000 0.796 524 Q CA 2.091 57.884 55.803 -0.016 0.000 0.877 524 Q CB -0.951 27.785 28.738 -0.003 0.000 3.276 524 Q HN 0.845 nan 8.270 nan 0.000 0.718 525 D N 0.702 121.119 120.400 0.029 0.000 2.354 525 D HA 0.019 4.659 4.640 0.001 0.000 0.209 525 D C 0.270 176.651 176.300 0.134 0.000 1.015 525 D CA 0.384 54.433 54.000 0.082 0.000 0.867 525 D CB 0.140 40.969 40.800 0.049 0.000 0.933 525 D HN 0.195 nan 8.370 nan 0.000 0.520 526 Q N 0.548 120.388 119.800 0.066 0.000 2.304 526 Q HA 0.105 4.445 4.340 0.001 0.000 0.260 526 Q C -1.040 174.974 176.000 0.023 0.000 0.965 526 Q CA 0.149 56.027 55.803 0.125 0.000 0.898 526 Q CB 0.474 29.286 28.738 0.122 0.000 1.196 526 Q HN 0.087 nan 8.270 nan 0.000 0.402 527 H N 1.147 120.297 119.070 0.133 0.000 2.689 527 H HA 0.432 4.988 4.556 0.000 0.000 0.346 527 H C -1.308 174.212 175.328 0.321 0.000 1.037 527 H CA -0.631 55.521 56.048 0.173 0.000 1.234 527 H CB 1.757 31.632 29.762 0.188 0.000 1.572 527 H HN 0.405 nan 8.280 nan 0.000 0.524 528 V N 1.294 121.397 119.914 0.315 0.000 2.447 528 V HA 0.813 4.934 4.120 0.001 0.000 0.292 528 V C 0.352 176.528 176.094 0.138 0.000 1.021 528 V CA -0.802 61.676 62.300 0.297 0.000 0.850 528 V CB 1.416 33.325 31.823 0.142 0.000 1.005 528 V HN 0.852 nan 8.190 nan 0.000 0.426 529 G N 3.253 112.133 108.800 0.133 0.000 2.348 529 G HA2 0.610 4.570 3.960 0.001 0.000 0.312 529 G HA3 0.610 4.570 3.960 0.001 0.000 0.312 529 G C -0.784 174.140 174.900 0.040 0.000 1.126 529 G CA -0.686 44.382 45.100 -0.054 0.000 0.865 529 G HN 0.976 nan 8.290 nan 0.000 0.474 530 V N 2.445 122.237 119.914 -0.204 0.000 2.417 530 V HA 0.435 4.556 4.120 0.001 0.000 0.291 530 V C -0.133 175.891 176.094 -0.117 0.000 1.024 530 V CA -0.690 61.455 62.300 -0.258 0.000 0.861 530 V CB 1.454 32.860 31.823 -0.695 0.000 0.985 530 V HN 0.549 nan 8.190 nan 0.000 0.436 531 V N 6.247 126.178 119.914 0.028 0.000 2.459 531 V HA 0.550 4.670 4.120 0.001 0.000 0.295 531 V C -0.334 175.843 176.094 0.139 0.000 1.029 531 V CA -0.567 61.749 62.300 0.026 0.000 0.874 531 V CB 1.703 33.506 31.823 -0.033 0.000 0.985 531 V HN 0.660 nan 8.190 nan 0.000 0.438 532 L N 3.874 125.223 121.223 0.210 0.000 2.343 532 L HA 0.533 4.873 4.340 0.001 0.000 0.278 532 L C -0.335 176.689 176.870 0.256 0.000 0.996 532 L CA -0.458 54.569 54.840 0.312 0.000 0.831 532 L CB 1.736 44.108 42.059 0.522 0.000 1.232 532 L HN 0.604 nan 8.230 nan 0.000 0.413 533 N N 2.855 121.678 118.700 0.206 0.000 2.801 533 N HA 0.071 4.811 4.740 0.001 0.000 0.235 533 N C -0.239 175.375 175.510 0.173 0.000 1.069 533 N CA -0.019 53.116 53.050 0.141 0.000 0.946 533 N CB 0.376 38.907 38.487 0.074 0.000 1.212 533 N HN 0.538 nan 8.380 nan 0.000 0.509 534 N N 3.144 121.935 118.700 0.151 0.000 3.245 534 N HA 0.114 4.854 4.740 0.001 0.000 0.296 534 N C -0.839 174.697 175.510 0.044 0.000 1.254 534 N CA -0.080 53.042 53.050 0.121 0.000 1.190 534 N CB 0.012 38.328 38.487 -0.285 0.000 1.460 534 N HN 0.277 nan 8.380 nan 0.000 0.538 535 R N -0.267 120.177 120.500 -0.094 0.000 2.629 535 R HA 0.175 4.515 4.340 0.001 0.000 0.266 535 R C -0.184 175.552 176.300 -0.940 0.000 1.051 535 R CA -0.605 55.291 56.100 -0.340 0.000 0.895 535 R CB 1.481 31.668 30.300 -0.189 0.000 1.246 535 R HN 0.338 nan 8.270 nan 0.000 0.459 536 G N 1.038 109.313 108.800 -0.875 0.000 3.424 536 G HA2 0.076 4.036 3.960 0.001 0.000 0.263 536 G HA3 0.076 4.036 3.960 0.001 0.000 0.263 536 G C 0.081 174.754 174.900 -0.377 0.000 1.310 536 G CA 0.265 44.866 45.100 -0.831 0.000 1.089 536 G HN 0.403 nan 8.290 nan 0.000 0.534 537 E N 0.074 120.088 120.200 -0.311 0.000 2.343 537 E HA 0.466 4.816 4.350 0.001 0.000 0.270 537 E C -0.548 175.970 176.600 -0.136 0.000 0.895 537 E CA -0.932 55.365 56.400 -0.172 0.000 0.767 537 E CB 1.337 30.958 29.700 -0.130 0.000 1.248 537 E HN -0.032 nan 8.360 nan 0.000 0.440 538 K N 2.399 122.746 120.400 -0.089 0.000 2.297 538 K HA 0.251 4.572 4.320 0.001 0.000 0.286 538 K C -0.762 175.805 176.600 -0.055 0.000 1.053 538 K CA 0.066 56.316 56.287 -0.062 0.000 0.940 538 K CB 0.520 32.995 32.500 -0.041 0.000 1.019 538 K HN 0.509 nan 8.250 nan 0.000 0.475 539 Q N 1.327 121.098 119.800 -0.047 0.000 2.456 539 Q HA 0.294 4.635 4.340 0.001 0.000 0.284 539 Q C -1.298 174.678 176.000 -0.040 0.000 1.061 539 Q CA -0.931 54.846 55.803 -0.044 0.000 0.799 539 Q CB 2.510 31.221 28.738 -0.044 0.000 1.445 539 Q HN 0.555 nan 8.270 nan 0.000 0.411 540 T N 0.366 114.892 114.554 -0.047 0.000 2.887 540 T HA 0.784 5.135 4.350 0.001 0.000 0.288 540 T C -1.240 173.415 174.700 -0.075 0.000 1.021 540 T CA -0.518 61.545 62.100 -0.062 0.000 1.000 540 T CB 1.211 70.040 68.868 -0.065 0.000 1.034 540 T HN 0.493 nan 8.240 nan 0.000 0.467 541 V N 2.396 122.248 119.914 -0.103 0.000 3.147 541 V HA 0.702 4.823 4.120 0.001 0.000 0.306 541 V C -1.439 174.541 176.094 -0.191 0.000 1.209 541 V CA -1.194 61.025 62.300 -0.134 0.000 1.023 541 V CB 1.948 33.694 31.823 -0.128 0.000 1.059 541 V HN 0.856 nan 8.190 nan 0.000 0.435 542 L N 3.041 124.129 121.223 -0.224 0.000 2.294 542 L HA 0.573 4.913 4.340 0.001 0.000 0.283 542 L C -1.221 175.447 176.870 -0.338 0.000 1.015 542 L CA -0.482 54.220 54.840 -0.230 0.000 0.831 542 L CB 1.468 43.431 42.059 -0.161 0.000 1.217 542 L HN 0.488 nan 8.230 nan 0.000 0.420 543 L N 2.787 123.809 121.223 -0.335 0.000 2.325 543 L HA 0.424 4.764 4.340 0.001 0.000 0.278 543 L C 0.299 177.120 176.870 -0.082 0.000 1.023 543 L CA -0.291 54.311 54.840 -0.397 0.000 0.811 543 L CB 1.426 43.055 42.059 -0.718 0.000 1.249 543 L HN 0.465 nan 8.230 nan 0.000 0.431 544 Q N 1.091 120.921 119.800 0.050 0.000 2.454 544 Q HA 0.376 4.716 4.340 0.001 0.000 0.247 544 Q C -0.717 175.441 176.000 0.264 0.000 1.028 544 Q CA 0.057 55.953 55.803 0.156 0.000 0.910 544 Q CB 1.053 29.898 28.738 0.179 0.000 1.276 544 Q HN 0.430 nan 8.270 nan 0.000 0.489 545 V N 1.360 121.346 119.914 0.121 0.000 2.266 545 V HA 0.488 4.609 4.120 0.001 0.000 0.271 545 V C -2.266 173.835 176.094 0.012 0.000 1.032 545 V CA -2.069 60.255 62.300 0.039 0.000 0.806 545 V CB 0.372 32.236 31.823 0.068 0.000 1.052 545 V HN 0.818 nan 8.190 nan 0.000 0.449 546 P HA -0.118 nan 4.420 nan 0.000 0.257 546 P C 0.540 177.820 177.300 -0.033 0.000 1.144 546 P CA 0.640 63.696 63.100 -0.073 0.000 0.761 546 P CB 0.672 32.268 31.700 -0.174 0.000 0.734 547 E N 2.672 122.872 120.200 -0.000 0.000 3.259 547 E HA -0.036 4.314 4.350 0.001 0.000 0.307 547 E C 0.137 176.725 176.600 -0.019 0.000 1.375 547 E CA 0.247 56.650 56.400 0.004 0.000 1.472 547 E CB -0.840 28.875 29.700 0.026 0.000 1.174 547 E HN 0.551 nan 8.360 nan 0.000 0.473 548 S N -0.694 114.946 115.700 -0.099 0.000 2.501 548 S HA 0.127 4.598 4.470 0.001 0.000 0.250 548 S C 1.568 176.014 174.600 -0.257 0.000 0.959 548 S CA 0.053 58.174 58.200 -0.130 0.000 1.250 548 S CB -0.387 62.805 63.200 -0.012 0.000 0.933 548 S HN 0.324 nan 8.310 nan 0.000 0.420 549 G N 1.126 109.637 108.800 -0.482 0.000 3.088 549 G HA2 0.585 4.546 3.960 0.001 0.000 0.217 549 G HA3 0.585 4.546 3.960 0.001 0.000 0.217 549 G C 0.765 175.427 174.900 -0.398 0.000 1.159 549 G CA 0.230 45.048 45.100 -0.470 0.000 0.760 549 G HN 1.405 nan 8.290 nan 0.000 0.550 550 G N -0.412 108.264 108.800 -0.206 0.000 2.371 550 G HA2 -0.044 3.916 3.960 0.001 0.000 0.663 550 G HA3 -0.044 3.916 3.960 0.001 0.000 0.663 550 G C -0.066 174.818 174.900 -0.026 0.000 1.311 550 G CA -0.048 44.932 45.100 -0.201 0.000 0.985 550 G HN 0.193 nan 8.290 nan 0.000 0.566 551 K N -0.791 119.580 120.400 -0.047 0.000 2.358 551 K HA 0.373 4.693 4.320 0.001 0.000 0.200 551 K C 0.202 176.846 176.600 0.073 0.000 1.030 551 K CA 0.711 57.048 56.287 0.083 0.000 1.097 551 K CB 0.367 32.889 32.500 0.037 0.000 0.862 551 K HN 0.561 nan 8.250 nan 0.000 0.534 552 T N 0.282 114.745 114.554 -0.151 0.000 2.824 552 T HA 0.427 4.778 4.350 0.001 0.000 0.282 552 T C -1.439 172.997 174.700 -0.440 0.000 0.993 552 T CA -0.542 61.464 62.100 -0.158 0.000 0.967 552 T CB 0.926 69.672 68.868 -0.204 0.000 0.960 552 T HN 0.091 nan 8.240 nan 0.000 0.441 553 W N 1.939 123.198 121.300 -0.069 0.000 3.032 553 W HA 0.740 5.400 4.660 0.000 0.000 0.335 553 W C -1.181 175.330 176.519 -0.015 0.000 1.154 553 W CA -0.905 56.417 57.345 -0.038 0.000 1.204 553 W CB 1.440 30.921 29.460 0.035 0.000 1.416 553 W HN 0.437 nan 8.180 nan 0.000 0.521 554 L N 2.854 124.203 121.223 0.210 0.000 2.385 554 L HA 0.472 4.813 4.340 0.001 0.000 0.273 554 L C -0.733 176.298 176.870 0.269 0.000 0.990 554 L CA -0.473 54.479 54.840 0.186 0.000 0.821 554 L CB 1.449 43.576 42.059 0.113 0.000 1.279 554 L HN 0.337 nan 8.230 nan 0.000 0.412 555 D N 3.250 123.776 120.400 0.209 0.000 2.339 555 D HA 0.115 4.755 4.640 0.001 0.000 0.241 555 D C 0.764 177.167 176.300 0.172 0.000 1.183 555 D CA -0.156 53.960 54.000 0.194 0.000 0.859 555 D CB 1.054 41.947 40.800 0.155 0.000 1.067 555 D HN 0.717 nan 8.370 nan 0.000 0.484 556 C N 3.660 123.064 119.300 0.174 0.000 2.430 556 C HA -0.039 4.421 4.460 0.001 0.000 0.288 556 C C 2.431 177.470 174.990 0.082 0.000 1.448 556 C CA 0.109 59.202 59.018 0.124 0.000 1.784 556 C CB -1.085 26.696 27.740 0.067 0.000 1.776 556 C HN 0.668 nan 8.230 nan 0.000 0.547 557 L N 0.279 121.558 121.223 0.094 0.000 2.253 557 L HA 0.024 4.365 4.340 0.001 0.000 0.205 557 L C 2.587 179.514 176.870 0.096 0.000 1.078 557 L CA 1.695 56.590 54.840 0.092 0.000 0.805 557 L CB -0.568 41.561 42.059 0.116 0.000 0.963 557 L HN 0.511 nan 8.230 nan 0.000 0.459 558 T N -3.348 111.266 114.554 0.101 0.000 3.478 558 T HA 0.536 4.887 4.350 0.001 0.000 0.223 558 T C 0.664 175.415 174.700 0.084 0.000 0.958 558 T CA 0.391 62.545 62.100 0.091 0.000 1.324 558 T CB 0.694 69.617 68.868 0.091 0.000 1.262 558 T HN 0.220 nan 8.240 nan 0.000 0.379 559 G N 0.219 109.072 108.800 0.089 0.000 2.387 559 G HA2 0.440 4.400 3.960 0.001 0.000 0.294 559 G HA3 0.440 4.400 3.960 0.001 0.000 0.294 559 G C -1.372 173.573 174.900 0.076 0.000 1.509 559 G CA -0.710 44.436 45.100 0.076 0.000 0.806 559 G HN 0.614 nan 8.290 nan 0.000 0.546 560 E N -0.254 119.979 120.200 0.055 0.000 2.636 560 E HA 0.110 4.460 4.350 0.001 0.000 0.278 560 E C -0.634 175.979 176.600 0.020 0.000 1.064 560 E CA 0.961 57.382 56.400 0.035 0.000 1.011 560 E CB 0.281 29.979 29.700 -0.003 0.000 1.029 560 E HN 0.336 nan 8.360 nan 0.000 0.463 561 E N 2.442 122.641 120.200 -0.002 0.000 2.705 561 E HA 0.048 4.398 4.350 0.001 0.000 0.373 561 E C -1.282 175.249 176.600 -0.114 0.000 1.071 561 E CA -0.161 56.177 56.400 -0.103 0.000 0.790 561 E CB 0.576 30.340 29.700 0.107 0.000 1.478 561 E HN 0.271 nan 8.360 nan 0.000 0.391 562 V N 3.571 123.376 119.914 -0.182 0.000 2.229 562 V HA 0.070 4.191 4.120 0.001 0.000 0.245 562 V C 0.216 176.243 176.094 -0.113 0.000 1.243 562 V CA 0.329 62.597 62.300 -0.054 0.000 1.176 562 V CB -0.513 31.277 31.823 -0.055 0.000 1.323 562 V HN 0.428 nan 8.190 nan 0.000 0.499 563 H N 4.129 123.275 119.070 0.125 0.000 2.507 563 H HA 0.311 4.867 4.556 0.000 0.000 0.294 563 H C 1.382 176.756 175.328 0.077 0.000 1.064 563 H CA 0.421 56.514 56.048 0.075 0.000 1.138 563 H CB 0.563 30.351 29.762 0.043 0.000 1.515 563 H HN 0.674 nan 8.280 nan 0.000 0.547 564 G N 1.573 110.494 108.800 0.201 0.000 2.469 564 G HA2 0.032 3.992 3.960 0.001 0.000 0.293 564 G HA3 0.032 3.992 3.960 0.001 0.000 0.293 564 G C 0.173 175.140 174.900 0.112 0.000 0.982 564 G CA -0.149 45.049 45.100 0.164 0.000 1.401 564 G HN 0.174 nan 8.290 nan 0.000 0.453 565 K N 2.933 123.390 120.400 0.096 0.000 2.521 565 K HA 0.235 4.555 4.320 0.001 0.000 0.248 565 K C 0.294 176.921 176.600 0.045 0.000 0.978 565 K CA -0.536 55.791 56.287 0.066 0.000 0.947 565 K CB 0.270 32.808 32.500 0.064 0.000 1.165 565 K HN 0.599 nan 8.250 nan 0.000 0.445 566 Q N 2.100 121.924 119.800 0.040 0.000 2.439 566 Q HA -0.243 4.097 4.340 0.001 0.000 0.325 566 Q C 0.526 176.545 176.000 0.031 0.000 1.372 566 Q CA 0.845 56.666 55.803 0.031 0.000 0.909 566 Q CB -1.817 26.934 28.738 0.021 0.000 1.167 566 Q HN 1.160 nan 8.270 nan 0.000 0.418 567 G N -1.085 107.741 108.800 0.043 0.000 2.143 567 G HA2 -0.310 3.650 3.960 0.001 0.000 0.249 567 G HA3 -0.310 3.650 3.960 0.001 0.000 0.249 567 G C -0.062 174.861 174.900 0.038 0.000 0.981 567 G CA 0.494 45.620 45.100 0.043 0.000 0.665 567 G HN 0.440 nan 8.290 nan 0.000 0.528 568 Q N -1.700 118.120 119.800 0.033 0.000 2.605 568 Q HA 0.856 5.197 4.340 0.001 0.000 0.296 568 Q C -1.362 174.648 176.000 0.017 0.000 1.056 568 Q CA -1.064 54.744 55.803 0.008 0.000 0.778 568 Q CB 2.200 30.926 28.738 -0.019 0.000 1.497 568 Q HN 0.189 nan 8.270 nan 0.000 0.443 569 L N 1.153 122.360 121.223 -0.026 0.000 2.482 569 L HA 0.396 4.736 4.340 0.001 0.000 0.269 569 L C -1.358 175.440 176.870 -0.121 0.000 0.967 569 L CA -0.106 54.723 54.840 -0.018 0.000 0.851 569 L CB 1.990 44.034 42.059 -0.026 0.000 1.242 569 L HN 0.414 nan 8.230 nan 0.000 0.404 570 K N 4.429 124.690 120.400 -0.231 0.000 2.262 570 K HA 0.742 5.063 4.320 0.001 0.000 0.282 570 K C -1.431 174.940 176.600 -0.381 0.000 1.066 570 K CA -0.343 55.747 56.287 -0.327 0.000 0.901 570 K CB 0.529 32.809 32.500 -0.366 0.000 1.089 570 K HN 0.527 nan 8.250 nan 0.000 0.476 571 L N 2.970 124.069 121.223 -0.206 0.000 2.381 571 L HA 0.407 4.747 4.340 0.001 0.000 0.274 571 L C -0.441 176.379 176.870 -0.083 0.000 0.988 571 L CA -0.926 53.846 54.840 -0.112 0.000 0.824 571 L CB 2.127 44.142 42.059 -0.073 0.000 1.263 571 L HN 0.469 nan 8.230 nan 0.000 0.410 572 T N 4.524 119.052 114.554 -0.043 0.000 2.756 572 T HA 0.570 4.920 4.350 0.001 0.000 0.290 572 T C -0.393 174.306 174.700 -0.001 0.000 0.985 572 T CA -0.400 61.683 62.100 -0.028 0.000 0.955 572 T CB 0.802 69.659 68.868 -0.018 0.000 0.930 572 T HN 0.130 nan 8.240 nan 0.000 0.451 573 L N 3.245 124.464 121.223 -0.005 0.000 2.329 573 L HA 0.561 4.902 4.340 0.001 0.000 0.279 573 L C 0.692 177.566 176.870 0.006 0.000 1.014 573 L CA -0.721 54.127 54.840 0.014 0.000 0.814 573 L CB 1.354 43.426 42.059 0.021 0.000 1.257 573 L HN 0.512 nan 8.230 nan 0.000 0.424 574 R N 2.459 122.972 120.500 0.021 0.000 2.707 574 R HA 0.277 4.617 4.340 0.001 0.000 0.270 574 R C -2.122 174.176 176.300 -0.003 0.000 1.083 574 R CA -1.334 54.772 56.100 0.010 0.000 1.182 574 R CB 0.374 30.691 30.300 0.029 0.000 1.084 574 R HN 0.350 nan 8.270 nan 0.000 0.528 575 P HA -0.130 nan 4.420 nan 0.000 0.260 575 P C -0.979 176.324 177.300 0.005 0.000 1.172 575 P CA 1.001 64.020 63.100 -0.135 0.000 0.760 575 P CB 0.040 31.643 31.700 -0.162 0.000 0.773 576 Y N -1.113 119.199 120.300 0.019 0.000 4.079 576 Y HA -0.305 4.246 4.550 0.000 0.000 0.223 576 Y C 1.029 176.959 175.900 0.050 0.000 1.155 576 Y CA -0.022 58.098 58.100 0.034 0.000 1.805 576 Y CB -1.324 37.148 38.460 0.021 0.000 1.571 576 Y HN 0.475 nan 8.280 nan 0.000 0.654 577 Q N 0.920 120.826 119.800 0.176 0.000 2.227 577 Q HA 0.605 4.945 4.340 0.001 0.000 0.245 577 Q C 0.374 176.469 176.000 0.158 0.000 0.926 577 Q CA 0.227 56.115 55.803 0.141 0.000 0.895 577 Q CB 1.723 30.521 28.738 0.099 0.000 1.230 577 Q HN 0.341 nan 8.270 nan 0.000 0.450 578 G N 2.297 111.193 108.800 0.161 0.000 2.571 578 G HA2 0.640 4.600 3.960 0.001 0.000 0.304 578 G HA3 0.640 4.600 3.960 0.001 0.000 0.304 578 G C -1.127 173.864 174.900 0.151 0.000 1.314 578 G CA -0.634 44.572 45.100 0.176 0.000 0.975 578 G HN 0.549 nan 8.290 nan 0.000 0.485 579 M N 1.834 121.515 119.600 0.135 0.000 2.464 579 M HA 0.431 4.911 4.480 0.001 0.000 0.308 579 M C -1.006 175.368 176.300 0.124 0.000 1.127 579 M CA -0.836 54.540 55.300 0.127 0.000 0.913 579 M CB 2.609 35.280 32.600 0.118 0.000 1.689 579 M HN 0.156 nan 8.290 nan 0.000 0.445 580 I N 4.542 125.191 120.570 0.131 0.000 2.412 580 I HA 0.259 4.429 4.170 0.001 0.000 0.279 580 I C -0.894 175.345 176.117 0.204 0.000 1.063 580 I CA -0.627 60.749 61.300 0.126 0.000 1.193 580 I CB 0.612 38.662 38.000 0.083 0.000 1.370 580 I HN 0.480 nan 8.210 nan 0.000 0.479 581 L N 6.122 127.497 121.223 0.254 0.000 2.261 581 L HA 0.262 4.602 4.340 0.001 0.000 0.289 581 L C -0.430 176.791 176.870 0.584 0.000 1.059 581 L CA -0.080 55.002 54.840 0.403 0.000 0.816 581 L CB 0.506 42.779 42.059 0.356 0.000 1.191 581 L HN 0.449 nan 8.230 nan 0.000 0.431 582 W N 5.005 126.481 121.300 0.295 0.000 2.478 582 W HA 0.305 4.966 4.660 0.000 0.000 0.318 582 W C 1.140 177.635 176.519 -0.040 0.000 1.062 582 W CA -1.156 56.282 57.345 0.155 0.000 1.210 582 W CB 0.909 30.404 29.460 0.058 0.000 1.325 582 W HN 0.714 nan 8.180 nan 0.000 0.496 583 N N 3.626 122.086 118.700 -0.400 0.000 2.521 583 N HA 0.003 4.743 4.740 0.001 0.000 0.188 583 N C 1.194 176.077 175.510 -1.046 0.000 1.146 583 N CA 0.972 53.357 53.050 -1.107 0.000 0.893 583 N CB -0.257 37.586 38.487 -1.073 0.000 0.975 583 N HN 0.965 nan 8.380 nan 0.000 0.451 584 G N 0.057 107.802 108.800 -1.759 0.000 2.148 584 G HA2 -0.275 3.685 3.960 0.001 0.000 0.254 584 G HA3 -0.275 3.685 3.960 0.001 0.000 0.254 584 G C 0.085 174.498 174.900 -0.812 0.000 0.981 584 G CA 0.197 44.239 45.100 -1.764 0.000 0.670 584 G HN 0.433 nan 8.290 nan 0.000 0.528 585 R N 0.000 120.307 120.500 -0.322 0.000 2.786 585 R HA 0.000 4.340 4.340 0.001 0.000 0.208 585 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 585 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535