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 1wzl_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 GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCLR 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 0.000 176.226 176.300 -0.124 0.000 1.140 1 M CA 0.000 55.251 55.300 -0.081 0.000 0.988 1 M CB 0.000 32.553 32.600 -0.078 0.000 1.302 2 L N 2.902 124.051 121.223 -0.124 0.000 2.328 2 L HA 0.322 4.663 4.340 0.001 0.000 0.280 2 L C 1.049 177.776 176.870 -0.238 0.000 1.111 2 L CA -0.470 54.281 54.840 -0.148 0.000 0.909 2 L CB 0.273 42.273 42.059 -0.098 0.000 1.277 2 L HN 0.702 nan 8.230 nan 0.000 0.433 3 L N 1.075 122.060 121.223 -0.396 0.000 2.187 3 L HA -0.196 4.144 4.340 0.001 0.000 0.213 3 L C 1.839 178.362 176.870 -0.579 0.000 1.100 3 L CA 1.098 55.455 54.840 -0.806 0.000 0.765 3 L CB -0.269 41.083 42.059 -1.178 0.000 0.904 3 L HN 0.602 nan 8.230 nan 0.000 0.437 4 E N 0.467 120.501 120.200 -0.275 0.000 2.338 4 E HA -0.103 4.248 4.350 0.001 0.000 0.197 4 E C 1.966 178.559 176.600 -0.012 0.000 1.007 4 E CA 1.007 57.350 56.400 -0.094 0.000 0.849 4 E CB -0.129 29.541 29.700 -0.049 0.000 0.774 4 E HN 0.448 nan 8.360 nan 0.000 0.506 5 A N 0.190 122.993 122.820 -0.028 0.000 2.308 5 A HA 0.206 4.527 4.320 0.001 0.000 0.217 5 A C 0.582 178.242 177.584 0.128 0.000 1.216 5 A CA -0.213 51.878 52.037 0.091 0.000 0.864 5 A CB -0.002 19.040 19.000 0.070 0.000 0.902 5 A HN 0.080 nan 8.150 nan 0.000 0.499 6 I N 0.077 120.657 120.570 0.016 0.000 2.342 6 I HA 0.399 4.570 4.170 0.001 0.000 0.291 6 I C -0.562 175.607 176.117 0.086 0.000 1.010 6 I CA -0.242 61.057 61.300 -0.001 0.000 1.308 6 I CB 1.021 38.923 38.000 -0.163 0.000 1.400 6 I HN 0.304 nan 8.210 nan 0.000 0.488 7 F N 6.726 126.640 119.950 -0.060 0.000 2.588 7 F HA 0.592 5.119 4.527 0.001 0.000 0.310 7 F C -0.825 174.977 175.800 0.004 0.000 1.082 7 F CA -0.288 57.696 58.000 -0.025 0.000 0.929 7 F CB 1.557 40.426 39.000 -0.218 0.000 1.254 7 F HN 0.476 nan 8.300 nan 0.000 0.455 8 H N 3.491 121.820 119.070 -1.235 0.000 3.060 8 H HA 0.328 4.885 4.556 0.002 0.000 0.330 8 H C -2.137 172.417 175.328 -1.291 0.000 1.305 8 H CA -0.531 54.860 56.048 -1.094 0.000 1.209 8 H CB 2.322 31.686 29.762 -0.664 0.000 1.913 8 H HN 0.851 nan 8.280 nan 0.000 0.534 9 E N 2.128 121.357 120.200 -1.618 0.000 2.331 9 E HA 0.609 4.960 4.350 0.001 0.000 0.275 9 E C -1.253 174.896 176.600 -0.753 0.000 0.895 9 E CA -1.134 54.758 56.400 -0.846 0.000 0.753 9 E CB 2.151 31.654 29.700 -0.329 0.000 1.216 9 E HN 0.525 nan 8.360 nan 0.000 0.434 10 A N 3.585 126.277 122.820 -0.214 0.000 3.033 10 A HA 0.209 4.529 4.320 0.001 0.000 0.250 10 A C -0.068 177.662 177.584 0.244 0.000 1.633 10 A CA 0.287 52.427 52.037 0.172 0.000 1.290 10 A CB -0.884 18.315 19.000 0.333 0.000 1.048 10 A HN 0.617 nan 8.150 nan 0.000 0.648 11 K N -2.790 117.726 120.400 0.193 0.000 2.756 11 K HA 0.621 4.942 4.320 0.001 0.000 0.286 11 K C 0.715 177.475 176.600 0.267 0.000 1.029 11 K CA -0.489 55.956 56.287 0.262 0.000 0.791 11 K CB -0.372 32.217 32.500 0.150 0.000 1.481 11 K HN 1.220 nan 8.250 nan 0.000 0.360 12 G N 0.800 109.746 108.800 0.244 0.000 2.660 12 G HA2 -0.367 3.594 3.960 0.001 0.000 0.321 12 G HA3 -0.367 3.594 3.960 0.001 0.000 0.321 12 G C 0.648 175.714 174.900 0.277 0.000 1.246 12 G CA 0.840 46.078 45.100 0.231 0.000 1.000 12 G HN 0.695 nan 8.290 nan 0.000 0.550 13 S N -0.186 115.673 115.700 0.265 0.000 2.575 13 S HA 0.315 4.785 4.470 0.001 0.000 0.215 13 S C 1.376 175.994 174.600 0.030 0.000 0.966 13 S CA 1.043 59.333 58.200 0.150 0.000 0.911 13 S CB 0.091 63.291 63.200 0.001 0.000 0.780 13 S HN 0.483 nan 8.310 nan 0.000 0.514 14 Y N 1.248 121.696 120.300 0.248 0.000 2.462 14 Y HA 0.543 5.093 4.550 0.001 0.000 0.253 14 Y C 0.834 176.781 175.900 0.078 0.000 1.095 14 Y CA -0.123 58.056 58.100 0.132 0.000 1.283 14 Y CB 0.586 39.024 38.460 -0.036 0.000 1.138 14 Y HN 0.201 nan 8.280 nan 0.000 0.522 15 A N 0.230 123.177 122.820 0.211 0.000 2.476 15 A HA 0.664 4.985 4.320 0.001 0.000 0.280 15 A C -1.831 175.835 177.584 0.137 0.000 1.081 15 A CA -0.513 51.583 52.037 0.099 0.000 0.753 15 A CB 0.052 19.222 19.000 0.283 0.000 1.248 15 A HN 0.250 nan 8.150 nan 0.000 0.424 16 Y N 0.903 121.144 120.300 -0.099 0.000 2.558 16 Y HA 0.815 5.366 4.550 0.002 0.000 0.333 16 Y C -3.346 172.433 175.900 -0.202 0.000 1.125 16 Y CA -2.691 55.346 58.100 -0.105 0.000 1.039 16 Y CB 1.254 39.744 38.460 0.050 0.000 1.331 16 Y HN 0.395 nan 8.280 nan 0.000 0.456 17 P HA 0.340 nan 4.420 nan 0.000 0.276 17 P C 0.268 177.634 177.300 0.110 0.000 1.244 17 P CA -0.355 62.700 63.100 -0.075 0.000 0.801 17 P CB 2.237 33.901 31.700 -0.059 0.000 1.006 18 I N -1.537 119.050 120.570 0.027 0.000 4.288 18 I HA 0.244 4.414 4.170 0.001 0.000 0.331 18 I C 0.364 176.503 176.117 0.036 0.000 1.322 18 I CA -0.181 61.160 61.300 0.068 0.000 1.149 18 I CB 0.365 38.383 38.000 0.031 0.000 1.112 18 I HN 0.318 nan 8.210 nan 0.000 0.403 19 S N -0.584 115.123 115.700 0.011 0.000 2.672 19 S HA 0.334 4.805 4.470 0.001 0.000 0.271 19 S C 0.282 174.883 174.600 0.001 0.000 1.171 19 S CA -0.570 57.636 58.200 0.011 0.000 0.817 19 S CB 1.856 65.053 63.200 -0.005 0.000 1.150 19 S HN 0.176 nan 8.310 nan 0.000 0.478 20 E N 0.205 120.408 120.200 0.006 0.000 2.268 20 E HA -0.057 4.294 4.350 0.001 0.000 0.195 20 E C 0.959 177.528 176.600 -0.050 0.000 0.995 20 E CA 1.564 57.960 56.400 -0.006 0.000 0.836 20 E CB -0.026 29.680 29.700 0.010 0.000 0.763 20 E HN 0.777 nan 8.360 nan 0.000 0.491 21 T N -2.728 111.798 114.554 -0.047 0.000 3.200 21 T HA 0.242 4.593 4.350 0.001 0.000 0.284 21 T C 0.086 174.742 174.700 -0.074 0.000 1.009 21 T CA -0.516 61.547 62.100 -0.060 0.000 0.907 21 T CB 0.409 69.256 68.868 -0.036 0.000 1.120 21 T HN -0.107 nan 8.240 nan 0.000 0.534 22 Q N 1.086 120.830 119.800 -0.094 0.000 2.292 22 Q HA 0.624 4.965 4.340 0.001 0.000 0.270 22 Q C -1.927 173.950 176.000 -0.205 0.000 1.024 22 Q CA -0.862 54.862 55.803 -0.131 0.000 0.768 22 Q CB 2.768 31.449 28.738 -0.095 0.000 1.250 22 Q HN 0.244 nan 8.270 nan 0.000 0.447 23 L N 2.597 123.640 121.223 -0.299 0.000 2.305 23 L HA 0.513 4.854 4.340 0.001 0.000 0.284 23 L C -0.841 175.755 176.870 -0.457 0.000 1.013 23 L CA -0.380 54.204 54.840 -0.427 0.000 0.819 23 L CB 1.142 42.888 42.059 -0.521 0.000 1.227 23 L HN 0.446 nan 8.230 nan 0.000 0.417 24 R N 3.777 123.956 120.500 -0.535 0.000 2.357 24 R HA 0.691 5.032 4.340 0.001 0.000 0.296 24 R C -1.317 174.659 176.300 -0.539 0.000 1.052 24 R CA -0.318 55.451 56.100 -0.552 0.000 0.988 24 R CB 0.987 30.826 30.300 -0.768 0.000 1.025 24 R HN 0.510 nan 8.270 nan 0.000 0.469 25 V N 1.608 121.326 119.914 -0.327 0.000 2.735 25 V HA 0.729 4.850 4.120 0.001 0.000 0.310 25 V C -0.632 175.503 176.094 0.069 0.000 1.061 25 V CA -0.999 61.228 62.300 -0.120 0.000 0.913 25 V CB 2.109 33.807 31.823 -0.208 0.000 1.005 25 V HN 0.753 nan 8.190 nan 0.000 0.428 26 R N 3.326 123.977 120.500 0.251 0.000 2.750 26 R HA 0.829 5.169 4.340 0.001 0.000 0.281 26 R C -1.572 175.059 176.300 0.553 0.000 0.972 26 R CA -0.773 55.517 56.100 0.316 0.000 0.912 26 R CB 2.820 33.195 30.300 0.125 0.000 1.187 26 R HN 0.884 nan 8.270 nan 0.000 0.464 27 L N 2.181 123.670 121.223 0.443 0.000 2.455 27 L HA 0.581 4.922 4.340 0.001 0.000 0.264 27 L C -1.054 176.024 176.870 0.347 0.000 0.968 27 L CA -0.816 54.211 54.840 0.312 0.000 0.827 27 L CB 1.984 43.989 42.059 -0.091 0.000 1.317 27 L HN 0.711 nan 8.230 nan 0.000 0.407 28 R N 4.310 124.952 120.500 0.237 0.000 2.732 28 R HA 0.995 5.335 4.340 0.001 0.000 0.278 28 R C -1.338 175.007 176.300 0.075 0.000 0.976 28 R CA -0.456 55.646 56.100 0.002 0.000 0.963 28 R CB 2.000 32.089 30.300 -0.352 0.000 1.150 28 R HN 0.676 nan 8.270 nan 0.000 0.478 29 A N 1.595 124.505 122.820 0.149 0.000 2.609 29 A HA 0.411 4.732 4.320 0.001 0.000 0.291 29 A C -1.300 176.455 177.584 0.285 0.000 1.096 29 A CA -1.062 51.111 52.037 0.226 0.000 0.684 29 A CB 1.433 20.554 19.000 0.202 0.000 1.282 29 A HN 0.816 nan 8.150 nan 0.000 0.412 30 K N 1.178 121.670 120.400 0.153 0.000 2.489 30 K HA 0.023 4.344 4.320 0.001 0.000 0.278 30 K C 0.226 176.816 176.600 -0.016 0.000 1.000 30 K CA 0.086 56.347 56.287 -0.044 0.000 1.012 30 K CB 0.347 32.796 32.500 -0.085 0.000 0.903 30 K HN 0.629 nan 8.250 nan 0.000 0.485 31 K N 3.022 123.372 120.400 -0.082 0.000 2.453 31 K HA -0.090 4.231 4.320 0.001 0.000 0.280 31 K C 0.569 177.165 176.600 -0.007 0.000 1.045 31 K CA 1.230 57.498 56.287 -0.032 0.000 1.059 31 K CB -0.145 32.321 32.500 -0.056 0.000 0.901 31 K HN 0.900 nan 8.250 nan 0.000 0.475 32 G N 3.846 112.669 108.800 0.037 0.000 2.176 32 G HA2 -0.280 3.681 3.960 0.001 0.000 0.253 32 G HA3 -0.280 3.681 3.960 0.001 0.000 0.253 32 G C 0.601 175.530 174.900 0.050 0.000 0.979 32 G CA 0.490 45.617 45.100 0.045 0.000 0.641 32 G HN 0.801 nan 8.290 nan 0.000 0.530 33 D N -0.467 119.965 120.400 0.052 0.000 2.249 33 D HA 0.238 4.879 4.640 0.001 0.000 0.205 33 D C 0.994 177.326 176.300 0.053 0.000 0.962 33 D CA 1.153 55.173 54.000 0.034 0.000 0.860 33 D CB 0.273 41.080 40.800 0.011 0.000 0.955 33 D HN 0.344 nan 8.370 nan 0.000 0.505 34 V N 0.712 120.701 119.914 0.125 0.000 2.487 34 V HA 0.197 4.318 4.120 0.001 0.000 0.298 34 V C 0.939 177.140 176.094 0.179 0.000 1.028 34 V CA -0.559 61.801 62.300 0.101 0.000 0.860 34 V CB 2.032 33.899 31.823 0.074 0.000 0.991 34 V HN -0.171 nan 8.190 nan 0.000 0.427 35 V N 3.811 123.769 119.914 0.074 0.000 2.949 35 V HA 0.259 4.380 4.120 0.001 0.000 0.245 35 V C 0.834 176.963 176.094 0.058 0.000 1.086 35 V CA 0.833 63.200 62.300 0.112 0.000 1.097 35 V CB 0.064 31.927 31.823 0.066 0.000 0.762 35 V HN 0.799 nan 8.190 nan 0.000 0.470 36 R N -0.542 119.901 120.500 -0.095 0.000 2.621 36 R HA 0.576 4.917 4.340 0.001 0.000 0.284 36 R C -1.887 174.223 176.300 -0.317 0.000 0.998 36 R CA -0.342 55.669 56.100 -0.148 0.000 0.895 36 R CB 1.915 32.187 30.300 -0.047 0.000 1.195 36 R HN 0.253 nan 8.270 nan 0.000 0.450 37 C N 3.861 122.931 119.300 -0.385 0.000 2.381 37 C HA 0.534 4.995 4.460 0.001 0.000 0.328 37 C C -0.757 174.204 174.990 -0.049 0.000 1.190 37 C CA -0.279 58.554 59.018 -0.308 0.000 1.369 37 C CB 0.897 28.258 27.740 -0.632 0.000 2.029 37 C HN 1.001 nan 8.230 nan 0.000 0.448 38 E N 3.888 124.102 120.200 0.024 0.000 2.256 38 E HA 0.738 5.089 4.350 0.001 0.000 0.267 38 E C -1.433 175.192 176.600 0.041 0.000 0.892 38 E CA -0.524 55.904 56.400 0.047 0.000 0.775 38 E CB 2.040 31.762 29.700 0.037 0.000 1.207 38 E HN 0.594 nan 8.360 nan 0.000 0.420 39 V N 4.278 124.184 119.914 -0.012 0.000 2.417 39 V HA 0.359 4.480 4.120 0.001 0.000 0.291 39 V C -0.775 175.307 176.094 -0.020 0.000 1.024 39 V CA -0.879 61.343 62.300 -0.131 0.000 0.861 39 V CB 1.173 32.824 31.823 -0.286 0.000 0.985 39 V HN 0.553 nan 8.190 nan 0.000 0.436 40 L N 6.767 127.964 121.223 -0.044 0.000 2.287 40 L HA 0.680 5.021 4.340 0.001 0.000 0.287 40 L C -0.442 176.493 176.870 0.108 0.000 1.022 40 L CA -0.336 54.459 54.840 -0.075 0.000 0.814 40 L CB 0.784 42.757 42.059 -0.143 0.000 1.217 40 L HN 0.773 nan 8.230 nan 0.000 0.420 41 Y N 1.572 121.817 120.300 -0.092 0.000 2.728 41 Y HA 0.994 5.545 4.550 0.002 0.000 0.330 41 Y C -0.706 175.189 175.900 -0.009 0.000 1.234 41 Y CA -1.208 56.879 58.100 -0.021 0.000 1.070 41 Y CB 1.628 40.081 38.460 -0.012 0.000 1.300 41 Y HN 0.696 nan 8.280 nan 0.000 0.467 42 A N 0.654 123.531 122.820 0.095 0.000 2.490 42 A HA 0.398 4.719 4.320 0.001 0.000 0.292 42 A C -1.993 175.654 177.584 0.105 0.000 1.047 42 A CA -0.502 51.535 52.037 -0.001 0.000 0.632 42 A CB 0.569 19.538 19.000 -0.051 0.000 1.323 42 A HN 0.949 nan 8.150 nan 0.000 0.448 43 D N -0.155 120.294 120.400 0.082 0.000 2.472 43 D HA 0.211 4.852 4.640 0.001 0.000 0.237 43 D C 1.225 177.590 176.300 0.108 0.000 1.141 43 D CA 0.250 54.322 54.000 0.119 0.000 0.875 43 D CB 0.604 41.478 40.800 0.122 0.000 1.192 43 D HN 0.452 nan 8.370 nan 0.000 0.450 44 R N 2.161 122.728 120.500 0.112 0.000 2.249 44 R HA -0.175 4.165 4.340 0.001 0.000 0.230 44 R C 0.688 176.869 176.300 -0.199 0.000 1.121 44 R CA 1.093 57.168 56.100 -0.041 0.000 0.997 44 R CB -0.168 30.083 30.300 -0.081 0.000 0.867 44 R HN 0.622 nan 8.270 nan 0.000 0.465 45 Y N -0.335 119.983 120.300 0.029 0.000 2.485 45 Y HA 0.330 4.881 4.550 0.001 0.000 0.260 45 Y C 0.862 176.767 175.900 0.008 0.000 1.173 45 Y CA -0.590 57.521 58.100 0.019 0.000 1.252 45 Y CB 0.210 38.685 38.460 0.025 0.000 1.123 45 Y HN -0.024 nan 8.280 nan 0.000 0.524 46 A N 0.514 123.396 122.820 0.104 0.000 2.520 46 A HA 0.204 4.525 4.320 0.001 0.000 0.235 46 A C 0.830 178.431 177.584 0.029 0.000 1.065 46 A CA 0.156 52.227 52.037 0.057 0.000 0.764 46 A CB 0.047 19.062 19.000 0.024 0.000 1.002 46 A HN 0.259 nan 8.150 nan 0.000 0.502 47 S N 2.209 117.923 115.700 0.023 0.000 2.572 47 S HA 0.300 4.771 4.470 0.001 0.000 0.279 47 S C -1.063 173.532 174.600 -0.008 0.000 1.341 47 S CA -0.715 57.491 58.200 0.010 0.000 1.043 47 S CB 0.427 63.633 63.200 0.010 0.000 0.887 47 S HN 0.578 nan 8.310 nan 0.000 0.516 48 P HA 0.010 nan 4.420 nan 0.000 0.239 48 P C 0.368 177.653 177.300 -0.025 0.000 1.184 48 P CA 0.802 63.885 63.100 -0.028 0.000 0.760 48 P CB 0.134 31.815 31.700 -0.031 0.000 0.884 49 E N -0.107 120.083 120.200 -0.017 0.000 2.330 49 E HA 0.032 4.383 4.350 0.001 0.000 0.200 49 E C 0.311 176.903 176.600 -0.013 0.000 0.922 49 E CA -0.106 56.286 56.400 -0.014 0.000 0.935 49 E CB 0.197 29.892 29.700 -0.010 0.000 0.917 49 E HN 0.450 nan 8.360 nan 0.000 0.491 50 E N 2.190 122.382 120.200 -0.012 0.000 2.467 50 E HA -0.033 4.318 4.350 0.001 0.000 0.264 50 E C -0.156 176.434 176.600 -0.017 0.000 1.020 50 E CA 0.253 56.645 56.400 -0.013 0.000 0.945 50 E CB 0.441 30.134 29.700 -0.012 0.000 0.942 50 E HN 0.047 nan 8.360 nan 0.000 0.449 51 E N 1.824 122.015 120.200 -0.014 0.000 2.373 51 E HA 0.108 4.459 4.350 0.001 0.000 0.267 51 E C -0.041 176.546 176.600 -0.021 0.000 1.032 51 E CA -0.038 56.360 56.400 -0.003 0.000 0.889 51 E CB 0.690 30.394 29.700 0.006 0.000 0.984 51 E HN 0.323 nan 8.360 nan 0.000 0.425 52 L N 1.489 122.705 121.223 -0.011 0.000 2.375 52 L HA 0.339 4.680 4.340 0.001 0.000 0.271 52 L C 0.697 177.523 176.870 -0.072 0.000 1.107 52 L CA -0.654 54.136 54.840 -0.084 0.000 0.806 52 L CB 0.958 42.952 42.059 -0.107 0.000 1.146 52 L HN 0.483 nan 8.230 nan 0.000 0.447 53 A N 1.309 123.940 122.820 -0.315 0.000 2.332 53 A HA 0.444 4.764 4.320 0.001 0.000 0.258 53 A C -0.838 176.636 177.584 -0.183 0.000 1.087 53 A CA -0.198 51.619 52.037 -0.367 0.000 0.802 53 A CB 0.087 18.485 19.000 -1.003 0.000 1.042 53 A HN 0.723 nan 8.150 nan 0.000 0.489 54 H N -0.693 118.308 119.070 -0.116 0.000 2.489 54 H HA 0.665 5.221 4.556 0.001 0.000 0.343 54 H C -0.214 175.221 175.328 0.179 0.000 1.086 54 H CA 0.371 56.454 56.048 0.057 0.000 1.198 54 H CB 1.823 31.602 29.762 0.028 0.000 1.490 54 H HN 0.855 nan 8.280 nan 0.000 0.504 55 A N 3.135 126.121 122.820 0.277 0.000 2.375 55 A HA 0.447 4.767 4.320 0.001 0.000 0.295 55 A C -1.361 176.282 177.584 0.098 0.000 1.066 55 A CA -0.645 51.496 52.037 0.174 0.000 0.722 55 A CB 0.709 19.750 19.000 0.068 0.000 1.206 55 A HN 0.534 nan 8.150 nan 0.000 0.435 56 L N 2.972 124.252 121.223 0.096 0.000 2.281 56 L HA 0.629 4.970 4.340 0.001 0.000 0.285 56 L C 0.548 177.473 176.870 0.093 0.000 1.074 56 L CA 0.125 55.019 54.840 0.090 0.000 0.817 56 L CB 0.997 43.110 42.059 0.090 0.000 1.168 56 L HN 0.787 nan 8.230 nan 0.000 0.434 57 A N 4.987 127.875 122.820 0.113 0.000 2.506 57 A HA 0.627 4.948 4.320 0.001 0.000 0.320 57 A C 0.588 178.342 177.584 0.284 0.000 1.424 57 A CA -0.004 52.141 52.037 0.180 0.000 1.044 57 A CB -0.624 18.513 19.000 0.227 0.000 1.140 57 A HN 0.879 nan 8.150 nan 0.000 0.538 58 G N 1.205 110.150 108.800 0.240 0.000 2.569 58 G HA2 0.345 4.306 3.960 0.001 0.000 0.249 58 G HA3 0.345 4.306 3.960 0.001 0.000 0.249 58 G C 0.129 175.216 174.900 0.311 0.000 1.216 58 G CA -0.624 44.637 45.100 0.268 0.000 0.845 58 G HN 0.759 nan 8.290 nan 0.000 0.568 59 K N 1.113 121.646 120.400 0.222 0.000 2.315 59 K HA 0.325 4.646 4.320 0.001 0.000 0.291 59 K C 1.182 177.765 176.600 -0.028 0.000 1.074 59 K CA -0.009 56.215 56.287 -0.105 0.000 0.936 59 K CB 0.406 32.785 32.500 -0.203 0.000 1.049 59 K HN 0.411 nan 8.250 nan 0.000 0.471 60 A N 3.687 126.501 122.820 -0.009 0.000 2.167 60 A HA 0.202 4.522 4.320 0.001 0.000 0.214 60 A C 0.771 178.364 177.584 0.015 0.000 1.151 60 A CA 0.975 53.025 52.037 0.021 0.000 0.735 60 A CB -0.052 18.966 19.000 0.030 0.000 0.802 60 A HN 0.881 nan 8.150 nan 0.000 0.467 61 G N -2.120 106.691 108.800 0.018 0.000 2.337 61 G HA2 0.498 4.459 3.960 0.001 0.000 0.298 61 G HA3 0.498 4.459 3.960 0.001 0.000 0.298 61 G C -0.889 174.102 174.900 0.152 0.000 1.335 61 G CA 0.027 45.163 45.100 0.060 0.000 0.875 61 G HN 1.291 nan 8.290 nan 0.000 0.579 62 S N -0.448 115.350 115.700 0.163 0.000 2.533 62 S HA 0.753 5.223 4.470 0.001 0.000 0.271 62 S C -0.747 173.967 174.600 0.189 0.000 1.143 62 S CA 0.007 58.334 58.200 0.212 0.000 0.891 62 S CB 2.525 65.770 63.200 0.075 0.000 1.105 62 S HN 1.267 nan 8.310 nan 0.000 0.468 63 D N 1.269 121.827 120.400 0.264 0.000 2.494 63 D HA 0.396 5.037 4.640 0.001 0.000 0.256 63 D C 1.145 177.492 176.300 0.079 0.000 1.197 63 D CA -0.410 53.687 54.000 0.162 0.000 1.096 63 D CB -0.393 40.547 40.800 0.233 0.000 1.191 63 D HN 0.476 nan 8.370 nan 0.000 0.608 64 E N -0.736 119.493 120.200 0.049 0.000 2.058 64 E HA -0.123 4.228 4.350 0.001 0.000 0.194 64 E C 1.795 178.356 176.600 -0.065 0.000 0.997 64 E CA 1.727 58.121 56.400 -0.009 0.000 0.801 64 E CB 0.136 29.827 29.700 -0.015 0.000 0.746 64 E HN 0.417 nan 8.360 nan 0.000 0.450 65 R N -2.078 118.351 120.500 -0.118 0.000 2.394 65 R HA 0.254 4.595 4.340 0.001 0.000 0.220 65 R C -0.267 175.695 176.300 -0.563 0.000 0.887 65 R CA -0.201 55.673 56.100 -0.377 0.000 1.034 65 R CB 0.717 30.669 30.300 -0.582 0.000 1.179 65 R HN 0.011 nan 8.270 nan 0.000 0.561 66 F N 0.309 120.211 119.950 -0.080 0.000 2.598 66 F HA 0.389 4.916 4.527 0.001 0.000 0.327 66 F C -0.025 175.629 175.800 -0.244 0.000 1.057 66 F CA -1.178 56.693 58.000 -0.216 0.000 0.957 66 F CB 1.466 40.199 39.000 -0.445 0.000 1.278 66 F HN -0.292 nan 8.300 nan 0.000 0.484 67 D N 0.338 120.693 120.400 -0.075 0.000 2.248 67 D HA 0.323 4.964 4.640 0.001 0.000 0.246 67 D C -1.433 174.648 176.300 -0.365 0.000 1.027 67 D CA -0.238 53.658 54.000 -0.174 0.000 0.853 67 D CB 1.582 42.288 40.800 -0.157 0.000 1.243 67 D HN 0.270 nan 8.370 nan 0.000 0.462 68 Y N 1.199 121.365 120.300 -0.223 0.000 2.331 68 Y HA 0.426 4.977 4.550 0.001 0.000 0.334 68 Y C -0.354 175.367 175.900 -0.298 0.000 0.960 68 Y CA -0.851 57.178 58.100 -0.118 0.000 1.130 68 Y CB 1.025 39.471 38.460 -0.023 0.000 1.164 68 Y HN 0.164 nan 8.280 nan 0.000 0.458 69 F N 1.674 121.762 119.950 0.229 0.000 2.450 69 F HA 0.514 5.042 4.527 0.002 0.000 0.332 69 F C 0.072 175.972 175.800 0.166 0.000 1.093 69 F CA -0.944 57.159 58.000 0.172 0.000 1.003 69 F CB 1.779 40.865 39.000 0.143 0.000 1.151 69 F HN 0.396 nan 8.300 nan 0.000 0.474 70 E N 1.668 122.041 120.200 0.288 0.000 2.292 70 E HA 0.788 5.139 4.350 0.001 0.000 0.272 70 E C -1.754 174.915 176.600 0.114 0.000 0.881 70 E CA -0.764 55.735 56.400 0.164 0.000 0.754 70 E CB 1.942 31.695 29.700 0.088 0.000 1.201 70 E HN 0.762 nan 8.360 nan 0.000 0.425 71 A N 3.260 126.103 122.820 0.039 0.000 2.527 71 A HA 0.735 5.055 4.320 0.001 0.000 0.293 71 A C -1.929 175.572 177.584 -0.138 0.000 1.117 71 A CA -0.723 51.297 52.037 -0.029 0.000 0.723 71 A CB 1.548 20.526 19.000 -0.037 0.000 1.313 71 A HN 0.471 nan 8.150 nan 0.000 0.411 72 L N 0.996 122.128 121.223 -0.152 0.000 2.349 72 L HA 0.656 4.997 4.340 0.001 0.000 0.278 72 L C -1.338 175.366 176.870 -0.278 0.000 0.996 72 L CA -0.270 54.447 54.840 -0.206 0.000 0.825 72 L CB 1.217 43.201 42.059 -0.125 0.000 1.243 72 L HN 0.597 nan 8.230 nan 0.000 0.412 73 L N 4.637 125.604 121.223 -0.426 0.000 2.282 73 L HA 0.503 4.844 4.340 0.001 0.000 0.288 73 L C -0.120 176.577 176.870 -0.288 0.000 1.033 73 L CA -0.742 53.720 54.840 -0.630 0.000 0.807 73 L CB 1.220 42.658 42.059 -1.035 0.000 1.209 73 L HN 0.488 nan 8.230 nan 0.000 0.423 74 E N 2.714 122.893 120.200 -0.035 0.000 2.052 74 E HA 0.196 4.547 4.350 0.001 0.000 0.283 74 E C -0.990 175.687 176.600 0.128 0.000 1.071 74 E CA -0.198 56.236 56.400 0.055 0.000 0.851 74 E CB 1.245 31.005 29.700 0.101 0.000 1.066 74 E HN 0.508 nan 8.360 nan 0.000 0.396 75 C N 2.779 122.097 119.300 0.029 0.000 2.357 75 C HA 0.138 4.599 4.460 0.001 0.000 0.300 75 C C 1.889 176.879 174.990 -0.001 0.000 1.074 75 C CA -0.700 58.342 59.018 0.040 0.000 1.566 75 C CB -0.888 26.847 27.740 -0.009 0.000 1.791 75 C HN 0.716 nan 8.230 nan 0.000 0.415 76 S N 1.227 116.936 115.700 0.015 0.000 2.419 76 S HA -0.184 4.287 4.470 0.001 0.000 0.233 76 S C 1.641 176.230 174.600 -0.019 0.000 1.016 76 S CA 2.007 60.206 58.200 -0.003 0.000 0.974 76 S CB -0.665 62.539 63.200 0.007 0.000 0.786 76 S HN 0.824 nan 8.310 nan 0.000 0.492 77 T N -1.133 113.415 114.554 -0.011 0.000 3.088 77 T HA 0.231 4.582 4.350 0.001 0.000 0.259 77 T C 0.716 175.350 174.700 -0.110 0.000 1.122 77 T CA 0.511 62.599 62.100 -0.021 0.000 1.095 77 T CB -0.682 68.203 68.868 0.028 0.000 0.930 77 T HN 0.562 nan 8.240 nan 0.000 0.508 78 K N 0.035 120.346 120.400 -0.148 0.000 3.446 78 K HA -0.153 4.168 4.320 0.001 0.000 0.312 78 K C -0.372 176.026 176.600 -0.337 0.000 1.329 78 K CA 0.760 56.857 56.287 -0.317 0.000 0.935 78 K CB -1.265 30.892 32.500 -0.571 0.000 1.281 78 K HN 0.536 nan 8.250 nan 0.000 0.457 79 R N 0.341 120.782 120.500 -0.099 0.000 2.628 79 R HA 0.670 5.011 4.340 0.001 0.000 0.288 79 R C -1.187 175.187 176.300 0.123 0.000 0.980 79 R CA -0.846 55.285 56.100 0.051 0.000 0.891 79 R CB 2.778 33.179 30.300 0.169 0.000 1.188 79 R HN -0.017 nan 8.270 nan 0.000 0.450 80 V N 2.524 122.547 119.914 0.182 0.000 3.012 80 V HA 0.534 4.655 4.120 0.001 0.000 0.307 80 V C -1.676 174.582 176.094 0.273 0.000 1.166 80 V CA -0.761 61.673 62.300 0.225 0.000 0.974 80 V CB 2.394 34.339 31.823 0.204 0.000 1.040 80 V HN 0.834 nan 8.190 nan 0.000 0.428 81 K N 5.352 125.894 120.400 0.237 0.000 2.371 81 K HA 0.828 5.149 4.320 0.001 0.000 0.251 81 K C -1.663 175.066 176.600 0.216 0.000 0.934 81 K CA -0.677 55.681 56.287 0.119 0.000 0.798 81 K CB 2.165 34.661 32.500 -0.008 0.000 1.204 81 K HN 0.824 nan 8.250 nan 0.000 0.427 82 Y N -1.652 118.645 120.300 -0.005 0.000 2.609 82 Y HA 0.707 5.258 4.550 0.001 0.000 0.336 82 Y C -1.723 174.092 175.900 -0.142 0.000 1.129 82 Y CA -1.406 56.647 58.100 -0.078 0.000 1.040 82 Y CB 1.499 39.850 38.460 -0.181 0.000 1.310 82 Y HN 0.389 nan 8.280 nan 0.000 0.460 83 V N 2.716 122.586 119.914 -0.074 0.000 2.876 83 V HA 0.642 4.762 4.120 0.001 0.000 0.312 83 V C -1.678 174.352 176.094 -0.106 0.000 1.085 83 V CA -1.155 61.096 62.300 -0.083 0.000 0.945 83 V CB 1.920 33.738 31.823 -0.008 0.000 1.017 83 V HN 0.704 nan 8.190 nan 0.000 0.428 84 F N 5.426 125.458 119.950 0.137 0.000 2.399 84 F HA 0.555 5.083 4.527 0.001 0.000 0.334 84 F C 0.150 176.015 175.800 0.108 0.000 1.097 84 F CA -0.488 57.593 58.000 0.134 0.000 1.076 84 F CB 1.523 40.640 39.000 0.195 0.000 1.162 84 F HN 0.262 nan 8.300 nan 0.000 0.495 85 L N 5.503 126.821 121.223 0.158 0.000 2.318 85 L HA 0.510 4.851 4.340 0.001 0.000 0.277 85 L C -1.445 175.394 176.870 -0.053 0.000 1.008 85 L CA -0.482 54.289 54.840 -0.114 0.000 0.846 85 L CB 0.599 42.556 42.059 -0.170 0.000 1.220 85 L HN 0.559 nan 8.230 nan 0.000 0.423 86 L N 4.158 125.351 121.223 -0.050 0.000 2.295 86 L HA 0.554 4.895 4.340 0.001 0.000 0.285 86 L C -0.119 176.701 176.870 -0.084 0.000 1.035 86 L CA -0.401 54.407 54.840 -0.054 0.000 0.806 86 L CB 1.822 43.889 42.059 0.013 0.000 1.214 86 L HN 0.458 nan 8.230 nan 0.000 0.426 87 T N 1.464 115.964 114.554 -0.091 0.000 2.812 87 T HA 0.517 4.867 4.350 0.001 0.000 0.282 87 T C 0.350 175.024 174.700 -0.043 0.000 0.990 87 T CA -0.559 61.503 62.100 -0.062 0.000 0.960 87 T CB 1.784 70.622 68.868 -0.050 0.000 0.948 87 T HN 0.754 nan 8.240 nan 0.000 0.438 88 G N 2.707 111.491 108.800 -0.027 0.000 2.547 88 G HA2 0.432 4.392 3.960 0.001 0.000 0.291 88 G HA3 0.432 4.392 3.960 0.001 0.000 0.291 88 G C -1.655 173.246 174.900 0.002 0.000 1.211 88 G CA -1.620 43.473 45.100 -0.011 0.000 0.950 88 G HN 0.376 nan 8.290 nan 0.000 0.504 89 P HA -0.152 nan 4.420 nan 0.000 0.216 89 P C 1.364 178.670 177.300 0.011 0.000 1.157 89 P CA 1.453 64.564 63.100 0.018 0.000 0.880 89 P CB 0.105 31.815 31.700 0.017 0.000 0.791 90 Q N -1.070 118.733 119.800 0.005 0.000 2.247 90 Q HA 0.293 4.634 4.340 0.001 0.000 0.234 90 Q C 1.012 177.013 176.000 0.003 0.000 0.899 90 Q CA 0.381 56.186 55.803 0.004 0.000 0.951 90 Q CB -0.890 27.849 28.738 0.001 0.000 1.057 90 Q HN 0.172 nan 8.270 nan 0.000 0.444 91 G N 1.584 110.386 108.800 0.003 0.000 2.228 91 G HA2 -0.375 3.586 3.960 0.001 0.000 0.270 91 G HA3 -0.375 3.586 3.960 0.001 0.000 0.270 91 G C 0.166 175.064 174.900 -0.004 0.000 0.976 91 G CA 0.642 45.742 45.100 0.001 0.000 0.636 91 G HN 0.697 nan 8.290 nan 0.000 0.542 92 E N 0.964 121.160 120.200 -0.006 0.000 2.384 92 E HA 0.562 4.913 4.350 0.001 0.000 0.266 92 E C 0.070 176.658 176.600 -0.020 0.000 1.012 92 E CA 0.361 56.756 56.400 -0.008 0.000 0.901 92 E CB 1.284 30.979 29.700 -0.008 0.000 0.967 92 E HN 1.221 nan 8.360 nan 0.000 0.435 93 A N 2.932 125.738 122.820 -0.023 0.000 2.380 93 A HA 0.707 5.027 4.320 0.001 0.000 0.315 93 A C -1.052 176.502 177.584 -0.050 0.000 1.101 93 A CA -0.642 51.359 52.037 -0.060 0.000 0.771 93 A CB 2.185 21.128 19.000 -0.096 0.000 1.287 93 A HN 0.614 nan 8.150 nan 0.000 0.436 94 V N 1.199 121.062 119.914 -0.086 0.000 3.048 94 V HA 0.584 4.705 4.120 0.001 0.000 0.303 94 V C -2.093 173.993 176.094 -0.013 0.000 1.214 94 V CA -0.644 61.667 62.300 0.020 0.000 0.984 94 V CB 1.904 33.802 31.823 0.124 0.000 1.054 94 V HN 0.843 nan 8.190 nan 0.000 0.430 95 Y N 5.099 125.513 120.300 0.190 0.000 2.310 95 Y HA 0.563 5.114 4.550 0.001 0.000 0.326 95 Y C -0.231 175.837 175.900 0.280 0.000 1.151 95 Y CA -0.283 57.935 58.100 0.196 0.000 1.195 95 Y CB 1.557 40.077 38.460 0.099 0.000 1.210 95 Y HN 0.632 nan 8.280 nan 0.000 0.483 96 F N 2.758 122.840 119.950 0.219 0.000 2.499 96 F HA 0.764 5.292 4.527 0.001 0.000 0.333 96 F C -0.117 175.720 175.800 0.062 0.000 1.138 96 F CA -0.395 57.592 58.000 -0.022 0.000 0.945 96 F CB 0.754 39.781 39.000 0.044 0.000 1.181 96 F HN 0.598 nan 8.300 nan 0.000 0.435 97 G N 3.735 112.295 108.800 -0.400 0.000 2.798 97 G HA2 0.152 4.113 3.960 0.001 0.000 0.286 97 G HA3 0.152 4.113 3.960 0.001 0.000 0.286 97 G C -0.070 174.062 174.900 -1.280 0.000 1.389 97 G CA -0.535 44.071 45.100 -0.823 0.000 0.894 97 G HN 0.698 nan 8.290 nan 0.000 0.488 98 E N -0.918 118.335 120.200 -1.579 0.000 2.130 98 E HA -0.179 4.172 4.350 0.001 0.000 0.196 98 E C 2.153 178.442 176.600 -0.518 0.000 0.998 98 E CA 2.032 57.753 56.400 -1.132 0.000 0.806 98 E CB -0.039 29.213 29.700 -0.747 0.000 0.738 98 E HN 0.438 nan 8.360 nan 0.000 0.459 99 T N -0.482 113.832 114.554 -0.401 0.000 2.867 99 T HA 0.116 4.467 4.350 0.001 0.000 0.268 99 T C 0.746 175.363 174.700 -0.138 0.000 1.057 99 T CA 0.905 62.878 62.100 -0.211 0.000 1.136 99 T CB 0.163 68.932 68.868 -0.165 0.000 0.874 99 T HN 0.513 nan 8.240 nan 0.000 0.466 100 G N 0.084 108.772 108.800 -0.187 0.000 2.288 100 G HA2 0.261 4.222 3.960 0.001 0.000 0.227 100 G HA3 0.261 4.222 3.960 0.001 0.000 0.227 100 G C -1.750 173.051 174.900 -0.164 0.000 1.339 100 G CA -1.104 43.931 45.100 -0.109 0.000 1.057 100 G HN 0.169 nan 8.290 nan 0.000 0.470 101 F N 1.030 121.092 119.950 0.186 0.000 2.450 101 F HA 0.854 5.382 4.527 0.001 0.000 0.332 101 F C 0.749 176.626 175.800 0.128 0.000 1.093 101 F CA -0.080 58.028 58.000 0.180 0.000 1.003 101 F CB 2.298 41.355 39.000 0.095 0.000 1.151 101 F HN 0.639 nan 8.300 nan 0.000 0.474 102 S N 0.394 116.290 115.700 0.327 0.000 2.552 102 S HA 0.616 5.087 4.470 0.001 0.000 0.272 102 S C 0.123 174.891 174.600 0.281 0.000 1.150 102 S CA -0.040 58.297 58.200 0.229 0.000 0.849 102 S CB 1.256 64.538 63.200 0.136 0.000 1.113 102 S HN 0.817 nan 8.310 nan 0.000 0.458 103 A N 1.993 124.939 122.820 0.211 0.000 2.067 103 A HA 0.269 4.590 4.320 0.001 0.000 0.217 103 A C 0.564 178.313 177.584 0.275 0.000 1.156 103 A CA 0.715 52.895 52.037 0.237 0.000 0.683 103 A CB -0.276 18.808 19.000 0.140 0.000 0.808 103 A HN 0.761 nan 8.150 nan 0.000 0.455 104 E N -0.480 119.799 120.200 0.131 0.000 2.146 104 E HA 0.289 4.639 4.350 0.001 0.000 0.282 104 E C 0.647 177.111 176.600 -0.227 0.000 0.989 104 E CA -0.532 55.848 56.400 -0.034 0.000 0.799 104 E CB 1.328 31.008 29.700 -0.033 0.000 1.088 104 E HN 0.403 nan 8.360 nan 0.000 0.397 105 R N 2.235 122.325 120.500 -0.684 0.000 2.096 105 R HA -0.213 4.128 4.340 0.001 0.000 0.240 105 R C 2.094 178.167 176.300 -0.377 0.000 1.139 105 R CA 2.455 57.997 56.100 -0.930 0.000 0.952 105 R CB -0.161 29.502 30.300 -1.062 0.000 0.854 105 R HN 0.596 nan 8.270 nan 0.000 0.436 106 S N 0.434 115.976 115.700 -0.264 0.000 2.383 106 S HA -0.172 4.299 4.470 0.001 0.000 0.229 106 S C 1.663 176.185 174.600 -0.130 0.000 1.030 106 S CA 1.504 59.603 58.200 -0.168 0.000 1.002 106 S CB -0.254 62.870 63.200 -0.126 0.000 0.829 106 S HN 0.444 nan 8.310 nan 0.000 0.467 107 K N 1.451 121.789 120.400 -0.103 0.000 2.365 107 K HA 0.263 4.584 4.320 0.001 0.000 0.199 107 K C 2.259 178.825 176.600 -0.057 0.000 1.045 107 K CA 0.746 56.996 56.287 -0.062 0.000 0.962 107 K CB -0.319 32.167 32.500 -0.023 0.000 0.759 107 K HN 0.517 nan 8.250 nan 0.000 0.469 108 A N 1.561 124.342 122.820 -0.065 0.000 2.067 108 A HA 0.176 4.497 4.320 0.001 0.000 0.217 108 A C 1.149 178.626 177.584 -0.178 0.000 1.156 108 A CA 1.008 53.010 52.037 -0.059 0.000 0.683 108 A CB -0.509 18.516 19.000 0.042 0.000 0.808 108 A HN 0.394 nan 8.150 nan 0.000 0.455 109 G N -2.030 106.658 108.800 -0.186 0.000 2.642 109 G HA2 0.065 4.026 3.960 0.001 0.000 0.231 109 G HA3 0.065 4.026 3.960 0.001 0.000 0.231 109 G C -0.277 174.435 174.900 -0.313 0.000 1.338 109 G CA -0.025 44.929 45.100 -0.243 0.000 0.883 109 G HN 1.570 nan 8.290 nan 0.000 0.570 110 V N -0.242 119.442 119.914 -0.384 0.000 2.851 110 V HA 0.682 4.803 4.120 0.001 0.000 0.307 110 V C -0.397 175.369 176.094 -0.546 0.000 1.129 110 V CA -1.028 61.016 62.300 -0.426 0.000 0.932 110 V CB 1.520 33.182 31.823 -0.268 0.000 1.024 110 V HN 0.971 nan 8.190 nan 0.000 0.426 111 F N 4.113 123.704 119.950 -0.598 0.000 2.410 111 F HA 0.550 5.078 4.527 0.001 0.000 0.334 111 F C 0.764 176.159 175.800 -0.674 0.000 1.134 111 F CA 0.249 57.848 58.000 -0.668 0.000 1.227 111 F CB 1.026 39.456 39.000 -0.949 0.000 1.194 111 F HN 0.414 nan 8.300 nan 0.000 0.571 112 Q N 1.961 121.698 119.800 -0.104 0.000 2.331 112 Q HA 0.244 4.585 4.340 0.001 0.000 0.272 112 Q C -1.819 174.297 176.000 0.192 0.000 1.062 112 Q CA -0.919 54.896 55.803 0.021 0.000 0.806 112 Q CB 2.864 31.587 28.738 -0.025 0.000 1.312 112 Q HN 0.617 nan 8.270 nan 0.000 0.431 113 Y N 1.221 121.648 120.300 0.211 0.000 2.721 113 Y HA 0.374 4.924 4.550 0.001 0.000 0.328 113 Y C 0.821 176.808 175.900 0.145 0.000 1.003 113 Y CA -0.207 58.011 58.100 0.196 0.000 1.275 113 Y CB 0.533 39.115 38.460 0.204 0.000 1.097 113 Y HN 0.944 nan 8.280 nan 0.000 0.514 114 A N 4.771 127.592 122.820 0.001 0.000 1.896 114 A HA -0.229 4.092 4.320 0.001 0.000 0.220 114 A C -0.246 177.481 177.584 0.240 0.000 1.206 114 A CA 2.166 54.262 52.037 0.099 0.000 0.647 114 A CB -0.550 18.484 19.000 0.057 0.000 0.828 114 A HN 0.722 nan 8.150 nan 0.000 0.455 115 Y N -2.759 117.581 120.300 0.067 0.000 2.521 115 Y HA 0.528 5.079 4.550 0.001 0.000 0.332 115 Y C -1.319 174.655 175.900 0.124 0.000 1.121 115 Y CA -1.081 57.055 58.100 0.060 0.000 1.037 115 Y CB 1.241 39.670 38.460 -0.051 0.000 1.330 115 Y HN 0.118 nan 8.280 nan 0.000 0.452 116 I N 5.887 126.315 120.570 -0.236 0.000 2.330 116 I HA 0.265 4.436 4.170 0.001 0.000 0.286 116 I C -0.884 175.222 176.117 -0.018 0.000 1.025 116 I CA -0.452 60.864 61.300 0.027 0.000 1.197 116 I CB 0.560 38.530 38.000 -0.049 0.000 1.358 116 I HN 0.601 nan 8.210 nan 0.000 0.467 117 H N 4.825 124.077 119.070 0.303 0.000 2.502 117 H HA 0.240 4.797 4.556 0.001 0.000 0.327 117 H C 1.230 176.660 175.328 0.170 0.000 1.099 117 H CA -0.606 55.607 56.048 0.275 0.000 1.323 117 H CB 1.141 31.041 29.762 0.230 0.000 1.450 117 H HN 0.483 nan 8.280 nan 0.000 0.502 118 R N 0.991 121.634 120.500 0.239 0.000 2.105 118 R HA -0.153 4.187 4.340 0.001 0.000 0.239 118 R C 1.458 177.852 176.300 0.157 0.000 1.135 118 R CA 1.745 57.940 56.100 0.159 0.000 0.967 118 R CB -0.381 29.993 30.300 0.124 0.000 0.861 118 R HN 0.566 nan 8.270 nan 0.000 0.442 119 S N 0.454 116.257 115.700 0.171 0.000 2.507 119 S HA -0.042 4.429 4.470 0.001 0.000 0.235 119 S C 1.129 175.798 174.600 0.116 0.000 0.988 119 S CA 0.780 59.053 58.200 0.121 0.000 0.944 119 S CB 0.050 63.304 63.200 0.090 0.000 0.762 119 S HN 0.550 nan 8.310 nan 0.000 0.526 120 E N 0.679 120.977 120.200 0.164 0.000 2.501 120 E HA 0.208 4.558 4.350 0.001 0.000 0.201 120 E C -0.740 175.958 176.600 0.162 0.000 1.016 120 E CA -0.179 56.311 56.400 0.149 0.000 0.920 120 E CB 0.818 30.639 29.700 0.201 0.000 1.023 120 E HN 0.310 nan 8.360 nan 0.000 0.474 121 V N 2.519 122.532 119.914 0.165 0.000 2.439 121 V HA 0.027 4.148 4.120 0.001 0.000 0.271 121 V C 0.130 176.357 176.094 0.221 0.000 1.040 121 V CA -0.080 62.327 62.300 0.179 0.000 1.002 121 V CB -0.087 31.819 31.823 0.139 0.000 1.000 121 V HN 0.222 nan 8.190 nan 0.000 0.477 122 F N 4.740 124.721 119.950 0.052 0.000 2.571 122 F HA 0.102 4.629 4.527 0.001 0.000 0.390 122 F C 0.580 176.387 175.800 0.010 0.000 1.043 122 F CA 0.193 58.202 58.000 0.016 0.000 1.164 122 F CB 0.381 39.362 39.000 -0.033 0.000 1.049 122 F HN 0.485 nan 8.300 nan 0.000 0.552 123 T N 3.817 118.646 114.554 0.458 0.000 2.841 123 T HA 0.369 4.720 4.350 0.001 0.000 0.285 123 T C -0.283 174.517 174.700 0.167 0.000 0.991 123 T CA -0.728 61.489 62.100 0.194 0.000 0.966 123 T CB 1.629 70.579 68.868 0.136 0.000 0.962 123 T HN 0.645 nan 8.240 nan 0.000 0.438 124 T N 0.580 115.141 114.554 0.011 0.000 2.924 124 T HA 0.709 5.059 4.350 0.001 0.000 0.291 124 T C -3.034 171.620 174.700 -0.077 0.000 1.045 124 T CA -2.624 59.457 62.100 -0.033 0.000 1.015 124 T CB 1.022 69.800 68.868 -0.150 0.000 1.103 124 T HN 0.144 nan 8.240 nan 0.000 0.496 125 P HA 0.175 nan 4.420 nan 0.000 0.264 125 P C 0.865 178.010 177.300 -0.259 0.000 1.193 125 P CA -0.111 62.885 63.100 -0.174 0.000 0.763 125 P CB 0.506 32.017 31.700 -0.316 0.000 0.810 126 E N 2.885 123.038 120.200 -0.079 0.000 2.085 126 E HA -0.173 4.177 4.350 0.001 0.000 0.194 126 E C 1.837 178.417 176.600 -0.033 0.000 0.994 126 E CA 1.457 57.832 56.400 -0.040 0.000 0.801 126 E CB -0.443 29.282 29.700 0.042 0.000 0.743 126 E HN 0.717 nan 8.360 nan 0.000 0.453 127 W N 0.685 121.988 121.300 0.005 0.000 2.374 127 W HA 0.055 4.716 4.660 0.001 0.000 0.288 127 W C 1.720 178.248 176.519 0.015 0.000 1.218 127 W CA 0.992 58.339 57.345 0.004 0.000 1.245 127 W CB -0.876 28.583 29.460 -0.002 0.000 1.126 127 W HN -0.023 nan 8.180 nan 0.000 0.545 128 A N 1.486 123.694 122.820 -1.019 0.000 2.168 128 A HA -0.090 4.230 4.320 0.001 0.000 0.215 128 A C 2.023 179.386 177.584 -0.368 0.000 1.152 128 A CA 1.080 52.548 52.037 -0.949 0.000 0.716 128 A CB -0.597 17.681 19.000 -1.204 0.000 0.794 128 A HN 0.367 nan 8.150 nan 0.000 0.465 129 K N -0.007 120.242 120.400 -0.252 0.000 2.432 129 K HA -0.057 4.264 4.320 0.001 0.000 0.196 129 K C 0.338 176.882 176.600 -0.092 0.000 1.038 129 K CA 1.243 57.437 56.287 -0.155 0.000 0.986 129 K CB 0.088 32.513 32.500 -0.125 0.000 0.782 129 K HN 0.843 nan 8.250 nan 0.000 0.485 130 E N -0.303 119.876 120.200 -0.036 0.000 3.254 130 E HA 0.285 4.636 4.350 0.001 0.000 0.184 130 E C -0.663 175.993 176.600 0.094 0.000 0.967 130 E CA -0.441 55.969 56.400 0.017 0.000 1.311 130 E CB 0.786 30.530 29.700 0.073 0.000 1.071 130 E HN 0.019 nan 8.360 nan 0.000 0.456 131 A N 0.607 123.458 122.820 0.052 0.000 2.264 131 A HA 0.655 4.976 4.320 0.001 0.000 0.304 131 A C -0.248 177.330 177.584 -0.009 0.000 1.100 131 A CA -0.563 51.545 52.037 0.119 0.000 0.839 131 A CB 1.384 20.501 19.000 0.195 0.000 1.121 131 A HN 0.140 nan 8.150 nan 0.000 0.496 132 V N 2.791 122.714 119.914 0.016 0.000 2.447 132 V HA 0.287 4.408 4.120 0.001 0.000 0.292 132 V C -0.705 175.359 176.094 -0.049 0.000 1.021 132 V CA -0.417 61.849 62.300 -0.056 0.000 0.850 132 V CB 1.216 33.027 31.823 -0.019 0.000 1.005 132 V HN 0.672 nan 8.190 nan 0.000 0.426 133 I N 4.198 124.660 120.570 -0.179 0.000 2.488 133 I HA 0.416 4.586 4.170 0.001 0.000 0.299 133 I C -0.639 175.459 176.117 -0.031 0.000 0.984 133 I CA -0.627 60.551 61.300 -0.202 0.000 1.250 133 I CB 1.251 38.852 38.000 -0.665 0.000 1.389 133 I HN 0.624 nan 8.210 nan 0.000 0.488 134 Y N 4.410 124.643 120.300 -0.112 0.000 2.331 134 Y HA 0.291 4.842 4.550 0.001 0.000 0.334 134 Y C 0.152 176.006 175.900 -0.076 0.000 0.960 134 Y CA -0.600 57.462 58.100 -0.062 0.000 1.130 134 Y CB 1.389 39.804 38.460 -0.076 0.000 1.164 134 Y HN 0.601 nan 8.280 nan 0.000 0.458 135 Q N 6.740 126.421 119.800 -0.199 0.000 2.314 135 Q HA 0.464 4.805 4.340 0.001 0.000 0.257 135 Q C -1.428 174.418 176.000 -0.258 0.000 0.975 135 Q CA -0.269 55.468 55.803 -0.109 0.000 0.933 135 Q CB 0.589 29.467 28.738 0.232 0.000 1.195 135 Q HN 0.774 nan 8.270 nan 0.000 0.426 136 I N 4.637 124.956 120.570 -0.418 0.000 2.378 136 I HA 0.238 4.409 4.170 0.001 0.000 0.291 136 I C -0.838 175.117 176.117 -0.270 0.000 0.992 136 I CA -0.789 60.253 61.300 -0.431 0.000 1.154 136 I CB 1.087 38.652 38.000 -0.724 0.000 1.315 136 I HN 0.654 nan 8.210 nan 0.000 0.448 137 F N 10.020 129.764 119.950 -0.344 0.000 2.309 137 F HA 0.391 4.919 4.527 0.001 0.000 0.366 137 F C -1.386 174.289 175.800 -0.209 0.000 1.104 137 F CA -2.069 55.809 58.000 -0.202 0.000 1.179 137 F CB 0.748 39.736 39.000 -0.020 0.000 1.437 137 F HN 0.337 nan 8.300 nan 0.000 0.528 138 P HA -0.305 nan 4.420 nan 0.000 0.217 138 P C 1.323 178.614 177.300 -0.015 0.000 1.158 138 P CA 1.533 64.453 63.100 -0.301 0.000 0.887 138 P CB 0.269 31.419 31.700 -0.917 0.000 0.792 139 E N -0.432 119.792 120.200 0.040 0.000 2.209 139 E HA -0.169 4.182 4.350 0.001 0.000 0.196 139 E C 1.498 178.394 176.600 0.492 0.000 0.993 139 E CA 0.979 57.645 56.400 0.442 0.000 0.819 139 E CB -0.007 30.009 29.700 0.527 0.000 0.745 139 E HN 0.209 nan 8.360 nan 0.000 0.477 140 R N -1.428 119.327 120.500 0.425 0.000 2.543 140 R HA 0.129 4.470 4.340 0.001 0.000 0.323 140 R C 1.515 177.963 176.300 0.247 0.000 1.002 140 R CA -0.241 55.996 56.100 0.227 0.000 1.106 140 R CB -0.555 29.837 30.300 0.154 0.000 1.280 140 R HN 0.164 nan 8.270 nan 0.000 0.549 141 F N 1.048 121.107 119.950 0.182 0.000 2.148 141 F HA 0.352 4.879 4.527 0.001 0.000 0.285 141 F C 0.250 176.434 175.800 0.639 0.000 1.092 141 F CA 0.519 58.655 58.000 0.226 0.000 1.218 141 F CB 0.451 39.512 39.000 0.102 0.000 1.059 141 F HN -0.047 nan 8.300 nan 0.000 0.490 142 A N 0.554 123.601 122.820 0.379 0.000 2.513 142 A HA 0.354 4.675 4.320 0.001 0.000 0.296 142 A C -1.677 175.860 177.584 -0.078 0.000 1.052 142 A CA -0.647 51.364 52.037 -0.043 0.000 0.714 142 A CB 0.491 19.325 19.000 -0.278 0.000 1.279 142 A HN 0.228 nan 8.150 nan 0.000 0.397 143 N N 1.976 120.450 118.700 -0.377 0.000 2.645 143 N HA 0.343 5.084 4.740 0.001 0.000 0.233 143 N C 1.035 176.429 175.510 -0.193 0.000 1.058 143 N CA 0.464 53.419 53.050 -0.159 0.000 0.942 143 N CB 1.025 39.436 38.487 -0.128 0.000 1.210 143 N HN 0.743 nan 8.380 nan 0.000 0.512 144 G N 1.183 109.915 108.800 -0.113 0.000 2.683 144 G HA2 -0.083 3.878 3.960 0.001 0.000 0.213 144 G HA3 -0.083 3.878 3.960 0.001 0.000 0.213 144 G C 0.079 174.933 174.900 -0.076 0.000 1.142 144 G CA 0.036 45.062 45.100 -0.123 0.000 0.793 144 G HN 0.529 nan 8.290 nan 0.000 0.534 145 D N -0.532 119.846 120.400 -0.037 0.000 2.408 145 D HA 0.360 5.000 4.640 0.001 0.000 0.261 145 D C -1.891 174.401 176.300 -0.013 0.000 1.190 145 D CA -2.144 51.843 54.000 -0.021 0.000 0.910 145 D CB 1.934 42.733 40.800 -0.002 0.000 1.097 145 D HN -0.095 nan 8.370 nan 0.000 0.522 146 P HA -0.126 nan 4.420 nan 0.000 0.220 146 P C 1.406 178.701 177.300 -0.010 0.000 1.148 146 P CA 0.925 64.020 63.100 -0.008 0.000 0.803 146 P CB 0.213 31.905 31.700 -0.013 0.000 0.782 147 S N 0.251 115.942 115.700 -0.014 0.000 2.442 147 S HA -0.150 4.321 4.470 0.001 0.000 0.236 147 S C 1.439 176.024 174.600 -0.024 0.000 1.007 147 S CA 1.332 59.522 58.200 -0.016 0.000 0.965 147 S CB -1.364 61.828 63.200 -0.014 0.000 0.773 147 S HN 0.223 nan 8.310 nan 0.000 0.504 148 N N 0.553 119.237 118.700 -0.027 0.000 2.235 148 N HA 0.180 4.921 4.740 0.001 0.000 0.209 148 N C -1.153 174.304 175.510 -0.089 0.000 1.122 148 N CA -0.380 52.641 53.050 -0.049 0.000 0.845 148 N CB -0.433 38.033 38.487 -0.034 0.000 1.004 148 N HN 0.130 nan 8.380 nan 0.000 0.499 149 D N 1.887 122.244 120.400 -0.072 0.000 2.443 149 D HA 0.166 4.807 4.640 0.001 0.000 0.239 149 D C -2.034 174.160 176.300 -0.177 0.000 1.136 149 D CA -0.790 53.146 54.000 -0.107 0.000 0.879 149 D CB 0.527 41.305 40.800 -0.037 0.000 1.195 149 D HN 0.215 nan 8.370 nan 0.000 0.443 150 P HA 0.213 nan 4.420 nan 0.000 0.274 150 P C -2.522 174.689 177.300 -0.148 0.000 1.237 150 P CA -1.058 61.810 63.100 -0.387 0.000 0.793 150 P CB 0.049 31.116 31.700 -1.054 0.000 0.977 151 P HA 0.089 nan 4.420 nan 0.000 0.265 151 P C 0.739 178.088 177.300 0.082 0.000 1.193 151 P CA 1.097 64.210 63.100 0.022 0.000 0.765 151 P CB 0.087 31.809 31.700 0.036 0.000 0.823 152 G N 1.474 110.311 108.800 0.062 0.000 2.160 152 G HA2 -0.231 3.730 3.960 0.001 0.000 0.251 152 G HA3 -0.231 3.730 3.960 0.001 0.000 0.251 152 G C 0.295 175.240 174.900 0.074 0.000 1.008 152 G CA -0.009 45.133 45.100 0.071 0.000 0.724 152 G HN 0.581 nan 8.290 nan 0.000 0.514 153 T N 1.027 115.620 114.554 0.065 0.000 2.928 153 T HA 0.372 4.723 4.350 0.001 0.000 0.305 153 T C 0.642 175.350 174.700 0.013 0.000 1.035 153 T CA 0.530 62.663 62.100 0.054 0.000 1.145 153 T CB 1.103 70.005 68.868 0.057 0.000 0.963 153 T HN 0.494 nan 8.240 nan 0.000 0.545 154 E N 1.787 121.931 120.200 -0.095 0.000 2.250 154 E HA 0.203 4.553 4.350 0.001 0.000 0.269 154 E C 0.080 176.745 176.600 0.108 0.000 1.018 154 E CA -1.015 55.343 56.400 -0.070 0.000 0.873 154 E CB 0.657 30.218 29.700 -0.231 0.000 1.134 154 E HN 0.464 nan 8.360 nan 0.000 0.403 155 Q N 0.887 120.790 119.800 0.172 0.000 2.386 155 Q HA -0.068 4.273 4.340 0.001 0.000 0.282 155 Q C -0.618 175.632 176.000 0.418 0.000 1.050 155 Q CA 0.515 56.475 55.803 0.262 0.000 0.918 155 Q CB 0.490 29.339 28.738 0.184 0.000 1.266 155 Q HN 0.543 nan 8.270 nan 0.000 0.423 156 W N 2.250 123.683 121.300 0.221 0.000 2.318 156 W HA 0.491 5.152 4.660 0.001 0.000 0.362 156 W C -1.186 175.385 176.519 0.087 0.000 0.978 156 W CA -0.460 56.993 57.345 0.181 0.000 1.509 156 W CB 0.262 29.812 29.460 0.150 0.000 1.437 156 W HN 0.526 nan 8.180 nan 0.000 0.361 157 A N 4.504 127.397 122.820 0.121 0.000 2.515 157 A HA 0.326 4.647 4.320 0.001 0.000 0.296 157 A C 0.853 178.416 177.584 -0.035 0.000 1.094 157 A CA -0.660 51.433 52.037 0.094 0.000 0.718 157 A CB 1.971 21.027 19.000 0.093 0.000 1.307 157 A HN 0.591 nan 8.150 nan 0.000 0.408 158 K N 0.157 120.553 120.400 -0.008 0.000 2.097 158 K HA -0.189 4.132 4.320 0.001 0.000 0.206 158 K C 0.748 177.307 176.600 -0.069 0.000 1.049 158 K CA 2.298 58.551 56.287 -0.057 0.000 0.933 158 K CB -0.147 32.334 32.500 -0.031 0.000 0.717 158 K HN 0.838 nan 8.250 nan 0.000 0.442 159 D N 0.074 120.454 120.400 -0.033 0.000 2.352 159 D HA 0.044 4.685 4.640 0.001 0.000 0.232 159 D C 0.016 176.302 176.300 -0.024 0.000 1.055 159 D CA 0.004 53.987 54.000 -0.027 0.000 0.891 159 D CB 0.153 40.949 40.800 -0.007 0.000 0.897 159 D HN 0.227 nan 8.370 nan 0.000 0.529 160 A N 0.915 123.710 122.820 -0.042 0.000 2.462 160 A HA 0.405 4.726 4.320 0.001 0.000 0.243 160 A C 0.323 177.891 177.584 -0.026 0.000 1.076 160 A CA -0.454 51.578 52.037 -0.008 0.000 0.773 160 A CB 0.395 19.377 19.000 -0.029 0.000 1.010 160 A HN 0.094 nan 8.150 nan 0.000 0.493 161 R N 2.553 123.073 120.500 0.034 0.000 2.415 161 R HA 0.317 4.658 4.340 0.001 0.000 0.292 161 R C -2.930 173.408 176.300 0.062 0.000 1.295 161 R CA -1.776 54.332 56.100 0.014 0.000 1.137 161 R CB 0.560 30.858 30.300 -0.002 0.000 1.135 161 R HN 0.502 nan 8.270 nan 0.000 0.560 162 P HA -0.006 nan 4.420 nan 0.000 0.263 162 P C -0.137 177.184 177.300 0.034 0.000 1.175 162 P CA 0.438 63.629 63.100 0.151 0.000 0.761 162 P CB 0.694 32.475 31.700 0.134 0.000 0.794 163 R N 1.515 122.035 120.500 0.032 0.000 2.828 163 R HA 0.308 4.649 4.340 0.001 0.000 0.264 163 R C 1.416 177.709 176.300 -0.011 0.000 1.022 163 R CA -0.854 55.229 56.100 -0.028 0.000 1.021 163 R CB 0.672 30.973 30.300 0.001 0.000 1.163 163 R HN 0.561 nan 8.270 nan 0.000 0.494 164 H N 1.273 120.356 119.070 0.022 0.000 2.426 164 H HA -0.136 4.421 4.556 0.001 0.000 0.298 164 H C 0.626 175.935 175.328 -0.031 0.000 1.107 164 H CA 1.804 57.862 56.048 0.017 0.000 1.298 164 H CB 0.243 30.002 29.762 -0.006 0.000 1.377 164 H HN 0.610 nan 8.280 nan 0.000 0.519 165 D N -0.426 120.001 120.400 0.045 0.000 2.463 165 D HA 0.051 4.692 4.640 0.001 0.000 0.224 165 D C 0.185 176.477 176.300 -0.013 0.000 1.174 165 D CA -0.131 53.831 54.000 -0.064 0.000 0.829 165 D CB 0.140 40.875 40.800 -0.109 0.000 0.993 165 D HN -0.094 nan 8.370 nan 0.000 0.497 166 S N -0.028 115.649 115.700 -0.039 0.000 2.624 166 S HA 0.504 4.975 4.470 0.001 0.000 0.263 166 S C -0.364 174.084 174.600 -0.254 0.000 1.287 166 S CA -0.103 58.014 58.200 -0.139 0.000 0.990 166 S CB 0.708 63.862 63.200 -0.077 0.000 0.950 166 S HN 0.253 nan 8.310 nan 0.000 0.561 167 F N -0.041 119.760 119.950 -0.248 0.000 2.615 167 F HA 0.314 4.842 4.527 0.001 0.000 0.312 167 F C -0.742 174.826 175.800 -0.387 0.000 1.119 167 F CA -0.689 57.200 58.000 -0.185 0.000 0.979 167 F CB 1.593 40.502 39.000 -0.153 0.000 1.266 167 F HN 0.594 nan 8.300 nan 0.000 0.444 168 Y N 0.542 121.045 120.300 0.338 0.000 2.471 168 Y HA 0.292 4.843 4.550 0.001 0.000 0.249 168 Y C 1.400 177.549 175.900 0.416 0.000 1.116 168 Y CA 0.300 58.563 58.100 0.271 0.000 1.240 168 Y CB 1.397 39.850 38.460 -0.012 0.000 1.251 168 Y HN 0.797 nan 8.280 nan 0.000 0.527 169 G N 0.406 109.440 108.800 0.390 0.000 2.141 169 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 169 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 169 G C 0.739 175.854 174.900 0.359 0.000 0.982 169 G CA -0.105 45.159 45.100 0.274 0.000 0.662 169 G HN 0.694 nan 8.290 nan 0.000 0.527 170 G N 0.279 109.404 108.800 0.540 0.000 2.414 170 G HA2 0.540 4.501 3.960 0.001 0.000 0.236 170 G HA3 0.540 4.501 3.960 0.001 0.000 0.236 170 G C 0.071 175.200 174.900 0.382 0.000 1.293 170 G CA 1.017 46.415 45.100 0.498 0.000 0.869 170 G HN 1.165 nan 8.290 nan 0.000 0.556 171 D N -0.083 120.480 120.400 0.273 0.000 2.677 171 D HA 0.171 4.812 4.640 0.001 0.000 0.298 171 D C 1.135 177.516 176.300 0.136 0.000 1.250 171 D CA -0.915 53.229 54.000 0.241 0.000 0.888 171 D CB 0.325 41.245 40.800 0.201 0.000 1.397 171 D HN 0.176 nan 8.370 nan 0.000 0.461 172 L N -0.912 120.366 121.223 0.092 0.000 2.141 172 L HA -0.050 4.290 4.340 0.001 0.000 0.209 172 L C 2.211 179.118 176.870 0.062 0.000 1.094 172 L CA 1.083 55.950 54.840 0.046 0.000 0.763 172 L CB -0.480 41.598 42.059 0.032 0.000 0.908 172 L HN 0.419 nan 8.230 nan 0.000 0.437 173 K N 0.913 121.345 120.400 0.054 0.000 2.097 173 K HA -0.110 4.211 4.320 0.001 0.000 0.206 173 K C 1.959 178.561 176.600 0.003 0.000 1.049 173 K CA 1.457 57.755 56.287 0.018 0.000 0.933 173 K CB -0.592 31.910 32.500 0.003 0.000 0.717 173 K HN 0.213 nan 8.250 nan 0.000 0.442 174 G N -0.120 108.693 108.800 0.022 0.000 2.418 174 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 174 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 174 G C 1.512 176.455 174.900 0.071 0.000 1.158 174 G CA 1.015 46.100 45.100 -0.024 0.000 0.771 174 G HN 0.192 nan 8.290 nan 0.000 0.545 175 V N 1.333 121.391 119.914 0.239 0.000 2.287 175 V HA -0.205 3.916 4.120 0.001 0.000 0.248 175 V C 2.798 179.001 176.094 0.182 0.000 1.053 175 V CA 1.687 64.203 62.300 0.360 0.000 1.027 175 V CB -0.453 31.567 31.823 0.328 0.000 0.646 175 V HN 0.405 nan 8.190 nan 0.000 0.447 176 I N 0.215 120.833 120.570 0.080 0.000 2.208 176 I HA -0.249 3.921 4.170 0.001 0.000 0.245 176 I C 2.240 178.349 176.117 -0.013 0.000 1.097 176 I CA 1.702 63.014 61.300 0.019 0.000 1.363 176 I CB -0.553 37.439 38.000 -0.013 0.000 1.051 176 I HN 0.314 nan 8.210 nan 0.000 0.413 177 D N 0.578 120.945 120.400 -0.055 0.000 2.218 177 D HA -0.114 4.527 4.640 0.001 0.000 0.204 177 D C 1.901 178.103 176.300 -0.163 0.000 0.976 177 D CA 0.920 54.844 54.000 -0.128 0.000 0.853 177 D CB -0.132 40.546 40.800 -0.203 0.000 0.939 177 D HN 0.183 nan 8.370 nan 0.000 0.481 178 R N 0.179 120.607 120.500 -0.121 0.000 2.359 178 R HA 0.230 4.570 4.340 0.001 0.000 0.231 178 R C 1.981 178.358 176.300 0.128 0.000 0.913 178 R CA -0.179 55.855 56.100 -0.110 0.000 1.075 178 R CB -0.244 29.917 30.300 -0.231 0.000 1.087 178 R HN 0.285 nan 8.270 nan 0.000 0.515 179 L N 0.894 122.169 121.223 0.087 0.000 2.079 179 L HA -0.127 4.214 4.340 0.001 0.000 0.210 179 L C -0.673 176.245 176.870 0.079 0.000 1.081 179 L CA 1.585 56.475 54.840 0.084 0.000 0.752 179 L CB -1.259 40.818 42.059 0.031 0.000 0.896 179 L HN 0.050 nan 8.230 nan 0.000 0.433 180 P HA -0.233 nan 4.420 nan 0.000 0.216 180 P C 1.320 178.698 177.300 0.131 0.000 1.150 180 P CA 1.318 64.457 63.100 0.065 0.000 0.837 180 P CB -0.047 31.675 31.700 0.037 0.000 0.786 181 Y N 0.203 120.537 120.300 0.058 0.000 2.145 181 Y HA -0.186 4.365 4.550 0.001 0.000 0.286 181 Y C 1.946 177.948 175.900 0.169 0.000 1.145 181 Y CA 1.459 59.650 58.100 0.153 0.000 1.148 181 Y CB -0.935 37.651 38.460 0.211 0.000 0.981 181 Y HN -0.238 nan 8.280 nan 0.000 0.507 182 L N 0.770 122.091 121.223 0.163 0.000 2.083 182 L HA -0.191 4.149 4.340 0.001 0.000 0.209 182 L C 2.432 179.244 176.870 -0.096 0.000 1.083 182 L CA 2.081 56.880 54.840 -0.068 0.000 0.752 182 L CB -1.522 40.499 42.059 -0.063 0.000 0.899 182 L HN 0.442 nan 8.230 nan 0.000 0.433 183 E N 0.080 120.261 120.200 -0.031 0.000 2.106 183 E HA -0.237 4.113 4.350 0.001 0.000 0.192 183 E C 2.064 178.634 176.600 -0.050 0.000 0.984 183 E CA 0.989 57.367 56.400 -0.038 0.000 0.806 183 E CB 0.165 29.855 29.700 -0.017 0.000 0.750 183 E HN 0.472 nan 8.360 nan 0.000 0.458 184 E N 0.257 120.438 120.200 -0.031 0.000 2.051 184 E HA -0.221 4.130 4.350 0.001 0.000 0.192 184 E C 2.244 178.766 176.600 -0.130 0.000 0.991 184 E CA 1.007 57.392 56.400 -0.026 0.000 0.799 184 E CB -0.101 29.649 29.700 0.082 0.000 0.748 184 E HN 0.236 nan 8.360 nan 0.000 0.449 185 L N 0.031 121.128 121.223 -0.210 0.000 2.081 185 L HA -0.103 4.238 4.340 0.001 0.000 0.212 185 L C 1.533 178.285 176.870 -0.197 0.000 1.080 185 L CA 2.510 57.144 54.840 -0.344 0.000 0.754 185 L CB -0.365 41.500 42.059 -0.322 0.000 0.893 185 L HN 0.401 nan 8.230 nan 0.000 0.433 186 G N -1.608 107.121 108.800 -0.117 0.000 2.148 186 G HA2 -0.173 3.788 3.960 0.001 0.000 0.203 186 G HA3 -0.173 3.788 3.960 0.001 0.000 0.203 186 G C 0.266 175.175 174.900 0.016 0.000 0.993 186 G CA 0.177 45.254 45.100 -0.038 0.000 0.661 186 G HN 0.874 nan 8.290 nan 0.000 0.518 187 V N -0.699 119.199 119.914 -0.026 0.000 2.811 187 V HA 0.737 4.858 4.120 0.001 0.000 0.302 187 V C 1.270 177.373 176.094 0.015 0.000 1.063 187 V CA 1.120 63.426 62.300 0.010 0.000 1.088 187 V CB 1.254 33.061 31.823 -0.027 0.000 0.982 187 V HN 0.957 nan 8.190 nan 0.000 0.485 188 T N -0.526 114.061 114.554 0.053 0.000 3.044 188 T HA 0.715 5.066 4.350 0.001 0.000 0.260 188 T C 0.342 175.058 174.700 0.028 0.000 1.019 188 T CA 0.390 62.517 62.100 0.044 0.000 0.921 188 T CB 0.168 69.102 68.868 0.109 0.000 1.053 188 T HN 1.766 nan 8.240 nan 0.000 0.533 189 A N 1.022 123.867 122.820 0.043 0.000 2.589 189 A HA 0.719 5.040 4.320 0.001 0.000 0.296 189 A C -1.756 175.842 177.584 0.024 0.000 1.062 189 A CA -0.961 51.104 52.037 0.047 0.000 0.686 189 A CB 1.076 20.183 19.000 0.179 0.000 1.282 189 A HN 0.343 nan 8.150 nan 0.000 0.404 190 L N 1.827 123.049 121.223 -0.001 0.000 2.341 190 L HA 0.537 4.878 4.340 0.001 0.000 0.278 190 L C -1.097 175.718 176.870 -0.093 0.000 1.005 190 L CA -0.817 53.939 54.840 -0.140 0.000 0.818 190 L CB 1.854 43.706 42.059 -0.346 0.000 1.259 190 L HN 0.808 nan 8.230 nan 0.000 0.418 191 Y N 3.621 123.778 120.300 -0.238 0.000 2.328 191 Y HA 0.580 5.131 4.550 0.001 0.000 0.337 191 Y C -1.441 174.323 175.900 -0.227 0.000 0.966 191 Y CA -1.506 56.567 58.100 -0.045 0.000 1.136 191 Y CB 0.872 39.448 38.460 0.193 0.000 1.170 191 Y HN 0.264 nan 8.280 nan 0.000 0.470 192 F N 3.671 123.522 119.950 -0.165 0.000 2.422 192 F HA 0.485 5.013 4.527 0.001 0.000 0.333 192 F C 0.930 176.426 175.800 -0.506 0.000 1.095 192 F CA -0.537 57.221 58.000 -0.403 0.000 1.038 192 F CB 1.628 40.461 39.000 -0.278 0.000 1.156 192 F HN 0.581 nan 8.300 nan 0.000 0.483 193 T N 0.233 114.562 114.554 -0.375 0.000 2.732 193 T HA 0.297 4.648 4.350 0.001 0.000 0.287 193 T C -2.632 171.856 174.700 -0.353 0.000 0.993 193 T CA -1.897 60.004 62.100 -0.331 0.000 0.966 193 T CB 0.157 68.812 68.868 -0.354 0.000 1.047 193 T HN 0.187 nan 8.240 nan 0.000 0.527 194 P HA 0.094 nan 4.420 nan 0.000 0.261 194 P C 0.409 177.449 177.300 -0.434 0.000 1.173 194 P CA 0.268 63.051 63.100 -0.528 0.000 0.760 194 P CB -0.005 31.336 31.700 -0.599 0.000 0.783 195 I N -1.220 119.025 120.570 -0.542 0.000 4.338 195 I HA 0.292 4.463 4.170 0.001 0.000 0.329 195 I C 0.064 176.193 176.117 0.020 0.000 1.378 195 I CA -0.278 60.883 61.300 -0.231 0.000 1.170 195 I CB -0.050 37.683 38.000 -0.445 0.000 1.206 195 I HN 0.034 nan 8.210 nan 0.000 0.432 196 F N 2.942 122.822 119.950 -0.118 0.000 2.450 196 F HA 0.529 5.057 4.527 0.001 0.000 0.339 196 F C 1.471 177.250 175.800 -0.034 0.000 1.146 196 F CA -0.980 56.979 58.000 -0.069 0.000 1.267 196 F CB 0.731 39.679 39.000 -0.087 0.000 1.178 196 F HN 0.037 nan 8.300 nan 0.000 0.585 197 A N 2.519 125.464 122.820 0.207 0.000 2.566 197 A HA 0.302 4.623 4.320 0.001 0.000 0.245 197 A C 0.143 177.761 177.584 0.057 0.000 1.056 197 A CA 0.415 52.507 52.037 0.093 0.000 0.757 197 A CB -0.032 19.024 19.000 0.094 0.000 0.979 197 A HN 0.641 nan 8.150 nan 0.000 0.508 198 S N 3.016 118.723 115.700 0.013 0.000 2.535 198 S HA 0.653 5.124 4.470 0.001 0.000 0.272 198 S C -2.345 172.256 174.600 0.000 0.000 1.149 198 S CA -0.530 57.676 58.200 0.011 0.000 0.888 198 S CB 1.809 65.001 63.200 -0.014 0.000 1.110 198 S HN 0.447 nan 8.310 nan 0.000 0.463 199 P HA 0.058 nan 4.420 nan 0.000 0.229 199 P C 0.702 178.046 177.300 0.073 0.000 1.160 199 P CA 0.384 63.513 63.100 0.049 0.000 0.777 199 P CB -0.100 31.641 31.700 0.068 0.000 0.814 200 S N -0.861 114.843 115.700 0.006 0.000 2.686 200 S HA 0.156 4.627 4.470 0.001 0.000 0.270 200 S C 1.210 175.871 174.600 0.103 0.000 1.194 200 S CA -0.418 57.764 58.200 -0.031 0.000 0.990 200 S CB -0.102 62.827 63.200 -0.452 0.000 1.029 200 S HN 0.163 nan 8.310 nan 0.000 0.560 201 H N -0.185 118.819 119.070 -0.109 0.000 2.465 201 H HA 0.011 4.568 4.556 0.001 0.000 0.289 201 H C 1.881 177.300 175.328 0.152 0.000 1.022 201 H CA 1.463 57.563 56.048 0.087 0.000 1.340 201 H CB -0.051 29.686 29.762 -0.042 0.000 1.437 201 H HN 0.952 nan 8.280 nan 0.000 0.539 202 H N -0.282 119.016 119.070 0.379 0.000 2.525 202 H HA 0.132 4.689 4.556 0.001 0.000 0.275 202 H C 0.684 176.095 175.328 0.137 0.000 0.984 202 H CA 0.183 56.459 56.048 0.379 0.000 1.264 202 H CB 0.263 30.332 29.762 0.512 0.000 1.432 202 H HN -0.121 nan 8.280 nan 0.000 0.549 203 K N -0.803 119.534 120.400 -0.105 0.000 3.281 203 K HA -0.255 4.066 4.320 0.001 0.000 0.295 203 K C -0.439 176.122 176.600 -0.066 0.000 1.233 203 K CA 1.020 57.255 56.287 -0.087 0.000 0.866 203 K CB -2.780 29.662 32.500 -0.097 0.000 1.265 203 K HN 0.531 nan 8.250 nan 0.000 0.482 204 Y N 1.366 121.911 120.300 0.409 0.000 2.490 204 Y HA -0.003 4.547 4.550 0.001 0.000 0.281 204 Y C 0.783 176.837 175.900 0.257 0.000 1.174 204 Y CA 0.410 58.676 58.100 0.277 0.000 1.295 204 Y CB 0.377 38.966 38.460 0.215 0.000 1.062 204 Y HN 0.145 nan 8.280 nan 0.000 0.522 205 D N -0.517 120.083 120.400 0.333 0.000 2.460 205 D HA 0.103 4.744 4.640 0.001 0.000 0.268 205 D C -0.464 175.899 176.300 0.105 0.000 1.153 205 D CA -0.399 53.751 54.000 0.248 0.000 0.929 205 D CB 0.208 41.165 40.800 0.263 0.000 1.015 205 D HN -0.137 nan 8.370 nan 0.000 0.502 206 T N 0.926 115.485 114.554 0.007 0.000 2.867 206 T HA 0.354 4.705 4.350 0.001 0.000 0.297 206 T C 1.323 175.991 174.700 -0.053 0.000 0.989 206 T CA -0.052 61.955 62.100 -0.156 0.000 1.159 206 T CB 1.532 70.010 68.868 -0.650 0.000 0.928 206 T HN 0.507 nan 8.240 nan 0.000 0.538 207 A N 2.776 125.623 122.820 0.045 0.000 1.924 207 A HA 0.215 4.536 4.320 0.001 0.000 0.211 207 A C 0.911 178.668 177.584 0.288 0.000 1.198 207 A CA 0.274 52.423 52.037 0.188 0.000 0.657 207 A CB 0.292 19.377 19.000 0.141 0.000 0.852 207 A HN 0.684 nan 8.150 nan 0.000 0.454 208 D N -1.871 118.636 120.400 0.178 0.000 2.476 208 D HA 0.387 5.028 4.640 0.001 0.000 0.251 208 D C -0.453 175.938 176.300 0.152 0.000 1.291 208 D CA -0.573 53.578 54.000 0.251 0.000 0.939 208 D CB 0.480 41.388 40.800 0.180 0.000 1.221 208 D HN 0.182 nan 8.370 nan 0.000 0.567 209 Y N 1.978 122.442 120.300 0.273 0.000 2.497 209 Y HA 0.056 4.607 4.550 0.001 0.000 0.292 209 Y C 1.746 177.563 175.900 -0.139 0.000 1.137 209 Y CA 0.779 58.908 58.100 0.049 0.000 1.285 209 Y CB 0.233 38.843 38.460 0.250 0.000 0.991 209 Y HN 0.402 nan 8.280 nan 0.000 0.556 210 L N -0.690 120.562 121.223 0.048 0.000 2.741 210 L HA 0.449 4.790 4.340 0.001 0.000 0.237 210 L C 0.345 177.130 176.870 -0.141 0.000 1.178 210 L CA -0.313 54.334 54.840 -0.321 0.000 0.973 210 L CB -0.120 41.566 42.059 -0.622 0.000 1.255 210 L HN 0.010 nan 8.230 nan 0.000 0.498 211 A N 0.288 123.203 122.820 0.159 0.000 2.486 211 A HA 0.624 4.945 4.320 0.001 0.000 0.300 211 A C -0.593 177.199 177.584 0.346 0.000 1.048 211 A CA -0.510 51.670 52.037 0.239 0.000 0.696 211 A CB 1.682 20.755 19.000 0.120 0.000 1.278 211 A HN -0.068 nan 8.150 nan 0.000 0.405 212 I N 2.146 122.937 120.570 0.368 0.000 2.588 212 I HA 0.058 4.229 4.170 0.001 0.000 0.283 212 I C 0.650 176.882 176.117 0.191 0.000 1.119 212 I CA 0.126 61.594 61.300 0.281 0.000 1.419 212 I CB 0.733 38.871 38.000 0.231 0.000 1.394 212 I HN 0.727 nan 8.210 nan 0.000 0.562 213 D N 8.363 128.863 120.400 0.166 0.000 2.493 213 D HA 0.002 4.642 4.640 0.001 0.000 0.240 213 D C -1.638 174.638 176.300 -0.041 0.000 1.142 213 D CA -1.118 52.889 54.000 0.012 0.000 0.872 213 D CB 1.668 42.376 40.800 -0.153 0.000 1.173 213 D HN 0.231 nan 8.370 nan 0.000 0.467 214 P HA -0.220 nan 4.420 nan 0.000 0.217 214 P C 1.254 178.485 177.300 -0.116 0.000 1.148 214 P CA 1.601 64.666 63.100 -0.057 0.000 0.834 214 P CB 0.015 31.680 31.700 -0.059 0.000 0.783 215 Q N -2.323 117.313 119.800 -0.273 0.000 2.297 215 Q HA -0.094 4.247 4.340 0.001 0.000 0.204 215 Q C 1.204 177.078 176.000 -0.210 0.000 0.962 215 Q CA 1.189 56.784 55.803 -0.347 0.000 0.879 215 Q CB -0.649 27.723 28.738 -0.609 0.000 0.947 215 Q HN 0.178 nan 8.270 nan 0.000 0.462 216 F N 0.363 120.275 119.950 -0.063 0.000 2.505 216 F HA 0.446 4.974 4.527 0.001 0.000 0.289 216 F C 1.435 177.227 175.800 -0.013 0.000 1.101 216 F CA 0.539 58.511 58.000 -0.045 0.000 1.446 216 F CB 0.540 39.495 39.000 -0.075 0.000 1.123 216 F HN 0.299 nan 8.300 nan 0.000 0.564 217 G N -0.566 108.342 108.800 0.179 0.000 2.491 217 G HA2 0.354 4.315 3.960 0.001 0.000 0.183 217 G HA3 0.354 4.315 3.960 0.001 0.000 0.183 217 G C -2.011 172.967 174.900 0.129 0.000 1.221 217 G CA -0.145 45.035 45.100 0.134 0.000 0.996 217 G HN 0.173 nan 8.290 nan 0.000 0.474 218 D N -1.719 118.772 120.400 0.153 0.000 2.759 218 D HA 0.528 5.169 4.640 0.001 0.000 0.321 218 D C 1.170 177.604 176.300 0.225 0.000 1.267 218 D CA -0.786 53.312 54.000 0.163 0.000 0.933 218 D CB 0.056 40.923 40.800 0.111 0.000 1.431 218 D HN 0.352 nan 8.370 nan 0.000 0.504 219 L N -0.433 120.922 121.223 0.220 0.000 1.989 219 L HA -0.010 4.330 4.340 0.001 0.000 0.211 219 L C -0.674 176.322 176.870 0.210 0.000 1.071 219 L CA 2.150 57.142 54.840 0.253 0.000 0.749 219 L CB -2.482 39.684 42.059 0.179 0.000 0.890 219 L HN 0.432 nan 8.230 nan 0.000 0.431 220 P HA -0.107 nan 4.420 nan 0.000 0.215 220 P C 1.706 179.054 177.300 0.079 0.000 1.153 220 P CA 1.466 64.615 63.100 0.082 0.000 0.853 220 P CB -0.027 31.706 31.700 0.056 0.000 0.788 221 T N -1.118 113.498 114.554 0.104 0.000 2.821 221 T HA -0.135 4.215 4.350 0.001 0.000 0.267 221 T C 1.444 176.202 174.700 0.096 0.000 1.046 221 T CA 0.923 63.073 62.100 0.083 0.000 1.139 221 T CB -0.966 67.957 68.868 0.093 0.000 0.871 221 T HN 0.023 nan 8.240 nan 0.000 0.454 222 F N 2.429 122.401 119.950 0.035 0.000 2.186 222 F HA -0.029 4.499 4.527 0.001 0.000 0.299 222 F C 2.377 178.179 175.800 0.003 0.000 1.090 222 F CA 1.016 59.031 58.000 0.024 0.000 1.307 222 F CB -0.116 38.968 39.000 0.140 0.000 1.019 222 F HN -0.123 nan 8.300 nan 0.000 0.489 223 R N 0.101 120.595 120.500 -0.010 0.000 2.096 223 R HA -0.166 4.175 4.340 0.001 0.000 0.235 223 R C 2.318 178.508 176.300 -0.184 0.000 1.127 223 R CA 1.406 57.433 56.100 -0.121 0.000 0.968 223 R CB -0.700 29.590 30.300 -0.016 0.000 0.861 223 R HN 0.220 nan 8.270 nan 0.000 0.440 224 R N 1.293 121.722 120.500 -0.118 0.000 2.081 224 R HA -0.111 4.230 4.340 0.001 0.000 0.235 224 R C 2.202 178.402 176.300 -0.166 0.000 1.131 224 R CA 1.098 57.132 56.100 -0.110 0.000 0.960 224 R CB -0.812 29.452 30.300 -0.059 0.000 0.856 224 R HN 0.150 nan 8.270 nan 0.000 0.436 225 L N -0.051 121.045 121.223 -0.211 0.000 2.012 225 L HA -0.109 4.231 4.340 0.001 0.000 0.210 225 L C 1.997 178.658 176.870 -0.348 0.000 1.073 225 L CA 1.732 56.429 54.840 -0.238 0.000 0.748 225 L CB -0.759 41.148 42.059 -0.253 0.000 0.891 225 L HN 0.095 nan 8.230 nan 0.000 0.431 226 V N 0.222 119.806 119.914 -0.550 0.000 2.287 226 V HA -0.316 3.805 4.120 0.001 0.000 0.248 226 V C 2.367 178.106 176.094 -0.591 0.000 1.053 226 V CA 2.108 64.016 62.300 -0.653 0.000 1.027 226 V CB -0.865 30.551 31.823 -0.679 0.000 0.646 226 V HN 0.478 nan 8.190 nan 0.000 0.447 227 D N -0.505 119.691 120.400 -0.341 0.000 2.117 227 D HA -0.126 4.515 4.640 0.001 0.000 0.198 227 D C 2.298 178.522 176.300 -0.126 0.000 0.982 227 D CA 0.982 54.872 54.000 -0.182 0.000 0.828 227 D CB -0.235 40.502 40.800 -0.104 0.000 0.967 227 D HN 0.395 nan 8.370 nan 0.000 0.464 228 E N 0.647 120.768 120.200 -0.131 0.000 2.150 228 E HA -0.080 4.271 4.350 0.001 0.000 0.193 228 E C 2.032 178.588 176.600 -0.073 0.000 0.985 228 E CA 0.679 57.029 56.400 -0.082 0.000 0.814 228 E CB -0.193 29.465 29.700 -0.071 0.000 0.752 228 E HN 0.215 nan 8.360 nan 0.000 0.466 229 A N 0.744 123.493 122.820 -0.119 0.000 1.873 229 A HA -0.182 4.139 4.320 0.001 0.000 0.215 229 A C 1.917 179.492 177.584 -0.015 0.000 1.186 229 A CA 1.512 53.499 52.037 -0.083 0.000 0.616 229 A CB -0.938 17.987 19.000 -0.124 0.000 0.823 229 A HN 0.345 nan 8.150 nan 0.000 0.442 230 H N -0.094 118.913 119.070 -0.106 0.000 2.352 230 H HA -0.157 4.399 4.556 0.001 0.000 0.299 230 H C 2.247 177.517 175.328 -0.097 0.000 1.097 230 H CA 1.362 57.340 56.048 -0.117 0.000 1.311 230 H CB -0.043 29.647 29.762 -0.120 0.000 1.377 230 H HN 0.617 nan 8.280 nan 0.000 0.504 231 R N 1.188 121.718 120.500 0.051 0.000 2.328 231 R HA -0.021 4.319 4.340 0.001 0.000 0.207 231 R C 1.159 177.449 176.300 -0.016 0.000 1.056 231 R CA 0.918 57.019 56.100 0.002 0.000 1.016 231 R CB -0.011 30.284 30.300 -0.009 0.000 0.872 231 R HN 0.262 nan 8.270 nan 0.000 0.471 232 R N 0.325 120.816 120.500 -0.015 0.000 2.509 232 R HA 0.160 4.501 4.340 0.001 0.000 0.300 232 R C 0.217 176.494 176.300 -0.038 0.000 0.985 232 R CA 0.344 56.428 56.100 -0.027 0.000 1.092 232 R CB 1.184 31.470 30.300 -0.023 0.000 1.237 232 R HN 0.460 nan 8.270 nan 0.000 0.546 233 G N 1.904 110.679 108.800 -0.042 0.000 2.221 233 G HA2 -0.267 3.694 3.960 0.001 0.000 0.265 233 G HA3 -0.267 3.694 3.960 0.001 0.000 0.265 233 G C -0.017 174.843 174.900 -0.067 0.000 1.041 233 G CA 0.052 45.110 45.100 -0.070 0.000 0.807 233 G HN 0.278 nan 8.290 nan 0.000 0.502 234 I N -0.001 120.548 120.570 -0.035 0.000 2.418 234 I HA 0.363 4.534 4.170 0.001 0.000 0.287 234 I C 0.513 176.630 176.117 0.001 0.000 1.008 234 I CA -0.857 60.423 61.300 -0.033 0.000 1.104 234 I CB 1.609 39.590 38.000 -0.030 0.000 1.264 234 I HN -0.058 nan 8.210 nan 0.000 0.438 235 K N 5.605 125.955 120.400 -0.083 0.000 2.090 235 K HA 0.597 4.918 4.320 0.001 0.000 0.250 235 K C -0.758 175.841 176.600 -0.002 0.000 1.004 235 K CA -0.804 55.425 56.287 -0.097 0.000 0.919 235 K CB 1.627 33.820 32.500 -0.513 0.000 1.045 235 K HN 0.356 nan 8.250 nan 0.000 0.471 236 I N 3.042 123.637 120.570 0.043 0.000 2.389 236 I HA 0.349 4.520 4.170 0.001 0.000 0.288 236 I C -0.276 175.942 176.117 0.168 0.000 0.999 236 I CA -0.525 60.850 61.300 0.124 0.000 1.129 236 I CB 1.091 39.120 38.000 0.048 0.000 1.288 236 I HN 0.471 nan 8.210 nan 0.000 0.444 237 I N 6.639 127.366 120.570 0.261 0.000 2.406 237 I HA 0.422 4.593 4.170 0.001 0.000 0.290 237 I C -0.317 175.973 176.117 0.289 0.000 0.999 237 I CA -0.490 60.965 61.300 0.260 0.000 1.124 237 I CB 1.980 40.227 38.000 0.412 0.000 1.289 237 I HN 0.244 nan 8.210 nan 0.000 0.441 238 L N 4.752 126.022 121.223 0.078 0.000 2.331 238 L HA 0.457 4.798 4.340 0.001 0.000 0.275 238 L C -0.154 176.785 176.870 0.115 0.000 1.022 238 L CA -0.700 54.151 54.840 0.018 0.000 0.812 238 L CB 1.568 43.472 42.059 -0.259 0.000 1.257 238 L HN 0.564 nan 8.230 nan 0.000 0.435 239 D N 1.969 122.398 120.400 0.048 0.000 2.249 239 D HA 0.436 5.076 4.640 0.001 0.000 0.246 239 D C -0.895 175.364 176.300 -0.068 0.000 1.114 239 D CA -0.117 53.924 54.000 0.067 0.000 0.854 239 D CB 1.906 42.767 40.800 0.101 0.000 1.132 239 D HN 0.577 nan 8.370 nan 0.000 0.461 240 A N 3.748 126.544 122.820 -0.040 0.000 2.318 240 A HA 0.466 4.787 4.320 0.001 0.000 0.317 240 A C -0.581 176.811 177.584 -0.321 0.000 1.159 240 A CA -0.696 51.206 52.037 -0.226 0.000 0.799 240 A CB 1.391 19.979 19.000 -0.686 0.000 1.194 240 A HN 0.375 nan 8.150 nan 0.000 0.479 241 V N 4.073 123.941 119.914 -0.077 0.000 2.240 241 V HA 0.201 4.322 4.120 0.001 0.000 0.265 241 V C -0.196 176.013 176.094 0.192 0.000 1.073 241 V CA -0.001 62.280 62.300 -0.033 0.000 0.857 241 V CB -0.496 31.307 31.823 -0.033 0.000 1.114 241 V HN 0.852 nan 8.190 nan 0.000 0.469 242 F N 1.847 121.775 119.950 -0.036 0.000 2.749 242 F HA 0.148 4.676 4.527 0.001 0.000 0.300 242 F C 1.945 177.595 175.800 -0.251 0.000 1.103 242 F CA -0.175 57.726 58.000 -0.166 0.000 1.342 242 F CB -0.741 38.117 39.000 -0.237 0.000 1.098 242 F HN 0.483 nan 8.300 nan 0.000 0.586 243 N N 0.260 118.954 118.700 -0.011 0.000 2.216 243 N HA -0.121 4.620 4.740 0.001 0.000 0.183 243 N C 0.041 175.618 175.510 0.112 0.000 1.017 243 N CA 1.102 54.163 53.050 0.019 0.000 0.861 243 N CB -0.008 38.564 38.487 0.142 0.000 0.986 243 N HN 0.428 nan 8.380 nan 0.000 0.428 244 H N -3.262 115.901 119.070 0.156 0.000 3.016 244 H HA 0.795 5.352 4.556 0.001 0.000 0.362 244 H C -1.235 174.207 175.328 0.190 0.000 1.233 244 H CA -0.895 55.259 56.048 0.176 0.000 1.124 244 H CB 1.169 31.049 29.762 0.195 0.000 1.850 244 H HN 0.040 nan 8.280 nan 0.000 0.549 245 A N 0.846 123.839 122.820 0.287 0.000 2.312 245 A HA 0.837 5.158 4.320 0.001 0.000 0.310 245 A C 0.384 178.082 177.584 0.190 0.000 1.139 245 A CA -0.542 51.600 52.037 0.176 0.000 0.886 245 A CB 0.730 19.721 19.000 -0.015 0.000 1.350 245 A HN 1.074 nan 8.150 nan 0.000 0.479 246 G N -1.120 107.763 108.800 0.138 0.000 2.477 246 G HA2 0.425 4.386 3.960 0.001 0.000 0.304 246 G HA3 0.425 4.386 3.960 0.001 0.000 0.304 246 G C 0.009 174.972 174.900 0.105 0.000 1.175 246 G CA 0.318 45.499 45.100 0.136 0.000 0.907 246 G HN 0.743 nan 8.290 nan 0.000 0.509 247 D N -0.761 119.679 120.400 0.067 0.000 2.378 247 D HA -0.104 4.537 4.640 0.001 0.000 0.222 247 D C 1.537 177.998 176.300 0.268 0.000 0.980 247 D CA 0.743 54.814 54.000 0.120 0.000 0.907 247 D CB 0.256 41.165 40.800 0.183 0.000 0.899 247 D HN 0.271 nan 8.370 nan 0.000 0.527 248 Q N -0.769 119.163 119.800 0.220 0.000 2.360 248 Q HA 0.106 4.447 4.340 0.001 0.000 0.202 248 Q C -0.089 176.072 176.000 0.267 0.000 0.915 248 Q CA -0.344 55.581 55.803 0.203 0.000 0.943 248 Q CB -0.107 28.726 28.738 0.157 0.000 1.064 248 Q HN 0.343 nan 8.270 nan 0.000 0.511 249 F N 2.325 122.361 119.950 0.142 0.000 2.608 249 F HA -0.120 4.407 4.527 0.001 0.000 0.380 249 F C 1.246 177.086 175.800 0.066 0.000 1.083 249 F CA -0.996 57.102 58.000 0.163 0.000 1.266 249 F CB 0.212 39.340 39.000 0.213 0.000 1.076 249 F HN 0.071 nan 8.300 nan 0.000 0.574 250 F N 4.678 124.405 119.950 -0.372 0.000 2.115 250 F HA -0.200 4.328 4.527 0.001 0.000 0.300 250 F C 1.792 177.205 175.800 -0.644 0.000 1.092 250 F CA 1.692 59.414 58.000 -0.464 0.000 1.245 250 F CB -1.369 37.352 39.000 -0.464 0.000 0.995 250 F HN 0.411 nan 8.300 nan 0.000 0.481 251 A N 0.103 121.443 122.820 -2.467 0.000 1.902 251 A HA -0.132 4.189 4.320 0.001 0.000 0.217 251 A C 2.160 179.444 177.584 -0.501 0.000 1.181 251 A CA 1.559 52.490 52.037 -1.844 0.000 0.623 251 A CB -1.545 16.407 19.000 -1.746 0.000 0.818 251 A HN 0.543 nan 8.150 nan 0.000 0.443 252 F N 0.536 120.278 119.950 -0.346 0.000 2.206 252 F HA -0.029 4.499 4.527 0.001 0.000 0.298 252 F C 2.386 177.989 175.800 -0.328 0.000 1.090 252 F CA 1.218 58.946 58.000 -0.453 0.000 1.323 252 F CB -0.140 38.591 39.000 -0.448 0.000 1.028 252 F HN 0.112 nan 8.300 nan 0.000 0.492 253 R N -0.245 120.139 120.500 -0.195 0.000 2.115 253 R HA -0.174 4.166 4.340 0.001 0.000 0.230 253 R C 1.802 177.962 176.300 -0.235 0.000 1.111 253 R CA 1.640 57.627 56.100 -0.188 0.000 0.976 253 R CB -0.759 29.500 30.300 -0.069 0.000 0.870 253 R HN 0.314 nan 8.270 nan 0.000 0.445 254 D N 0.227 120.475 120.400 -0.254 0.000 2.144 254 D HA -0.120 4.521 4.640 0.001 0.000 0.199 254 D C 1.727 177.915 176.300 -0.186 0.000 0.984 254 D CA 0.818 54.710 54.000 -0.180 0.000 0.834 254 D CB 0.274 40.979 40.800 -0.158 0.000 0.955 254 D HN -0.071 nan 8.370 nan 0.000 0.465 255 V N 0.297 120.048 119.914 -0.272 0.000 2.358 255 V HA -0.174 3.946 4.120 0.001 0.000 0.246 255 V C 2.441 178.344 176.094 -0.319 0.000 1.047 255 V CA 1.118 63.254 62.300 -0.273 0.000 1.035 255 V CB -0.409 31.199 31.823 -0.359 0.000 0.658 255 V HN 0.324 nan 8.190 nan 0.000 0.452 256 L N -0.369 120.584 121.223 -0.449 0.000 2.201 256 L HA -0.182 4.159 4.340 0.001 0.000 0.212 256 L C 2.508 179.268 176.870 -0.182 0.000 1.105 256 L CA 1.345 55.987 54.840 -0.330 0.000 0.775 256 L CB -0.344 41.507 42.059 -0.346 0.000 0.913 256 L HN 0.363 nan 8.230 nan 0.000 0.440 257 Q N 0.261 119.958 119.800 -0.171 0.000 2.165 257 Q HA -0.070 4.271 4.340 0.001 0.000 0.197 257 Q C 1.890 177.819 176.000 -0.118 0.000 0.952 257 Q CA 1.428 57.160 55.803 -0.117 0.000 0.848 257 Q CB 0.268 28.948 28.738 -0.097 0.000 0.931 257 Q HN 0.253 nan 8.270 nan 0.000 0.470 258 K N -0.821 119.494 120.400 -0.142 0.000 2.352 258 K HA 0.285 4.605 4.320 0.001 0.000 0.194 258 K C 0.922 177.378 176.600 -0.241 0.000 1.038 258 K CA 0.370 56.564 56.287 -0.155 0.000 1.023 258 K CB 0.529 32.951 32.500 -0.130 0.000 0.840 258 K HN 0.334 nan 8.250 nan 0.000 0.519 259 G N 2.970 111.598 108.800 -0.287 0.000 2.591 259 G HA2 -0.436 3.525 3.960 0.001 0.000 0.298 259 G HA3 -0.436 3.525 3.960 0.001 0.000 0.298 259 G C 0.740 175.042 174.900 -0.997 0.000 1.195 259 G CA 0.689 45.455 45.100 -0.556 0.000 0.989 259 G HN 0.486 nan 8.290 nan 0.000 0.551 260 E N 0.560 119.957 120.200 -1.337 0.000 2.472 260 E HA -0.063 4.288 4.350 0.001 0.000 0.200 260 E C 1.731 178.083 176.600 -0.413 0.000 1.046 260 E CA 1.352 57.152 56.400 -1.001 0.000 0.871 260 E CB -0.057 29.267 29.700 -0.626 0.000 0.806 260 E HN 0.520 nan 8.360 nan 0.000 0.533 261 Q N 0.824 120.421 119.800 -0.337 0.000 2.319 261 Q HA 0.131 4.472 4.340 0.001 0.000 0.202 261 Q C 0.512 176.411 176.000 -0.168 0.000 0.896 261 Q CA 0.106 55.789 55.803 -0.199 0.000 0.942 261 Q CB 0.835 29.477 28.738 -0.160 0.000 1.083 261 Q HN 0.109 nan 8.270 nan 0.000 0.510 262 S N 0.920 116.508 115.700 -0.186 0.000 2.549 262 S HA 0.101 4.572 4.470 0.001 0.000 0.279 262 S C 1.050 175.565 174.600 -0.142 0.000 1.321 262 S CA -0.308 57.821 58.200 -0.118 0.000 1.054 262 S CB 0.674 63.827 63.200 -0.078 0.000 0.899 262 S HN 0.090 nan 8.310 nan 0.000 0.497 263 R N 2.961 123.318 120.500 -0.238 0.000 2.323 263 R HA 0.038 4.378 4.340 0.001 0.000 0.198 263 R C -0.213 175.652 176.300 -0.725 0.000 0.988 263 R CA 0.766 56.593 56.100 -0.454 0.000 1.041 263 R CB -0.239 29.716 30.300 -0.575 0.000 0.926 263 R HN 0.788 nan 8.270 nan 0.000 0.476 264 Y N -0.396 119.708 120.300 -0.327 0.000 2.612 264 Y HA 0.117 4.668 4.550 0.001 0.000 0.250 264 Y C 1.668 177.533 175.900 -0.059 0.000 1.175 264 Y CA -0.410 57.359 58.100 -0.552 0.000 1.205 264 Y CB 0.326 38.294 38.460 -0.819 0.000 1.201 264 Y HN -0.029 nan 8.280 nan 0.000 0.532 265 K N -0.402 120.087 120.400 0.148 0.000 2.152 265 K HA -0.169 4.152 4.320 0.001 0.000 0.206 265 K C 0.261 177.055 176.600 0.324 0.000 1.048 265 K CA 2.046 58.516 56.287 0.306 0.000 0.933 265 K CB -0.125 32.542 32.500 0.278 0.000 0.721 265 K HN 0.109 nan 8.250 nan 0.000 0.447 266 D N -0.285 120.249 120.400 0.223 0.000 2.336 266 D HA -0.033 4.608 4.640 0.001 0.000 0.229 266 D C 0.502 176.882 176.300 0.134 0.000 1.061 266 D CA 0.337 54.427 54.000 0.150 0.000 0.875 266 D CB -0.084 40.774 40.800 0.097 0.000 0.904 266 D HN 0.365 nan 8.370 nan 0.000 0.525 267 W N 0.007 121.182 121.300 -0.208 0.000 3.139 267 W HA 0.188 4.849 4.660 0.001 0.000 0.260 267 W C 0.236 176.232 176.519 -0.870 0.000 1.312 267 W CA -0.210 56.806 57.345 -0.548 0.000 1.606 267 W CB -0.249 28.808 29.460 -0.673 0.000 1.118 267 W HN -0.185 nan 8.180 nan 0.000 0.675 268 F N -2.109 117.943 119.950 0.170 0.000 2.764 268 F HA 0.490 5.018 4.527 0.001 0.000 0.347 268 F C -0.758 175.007 175.800 -0.058 0.000 1.151 268 F CA -1.678 56.413 58.000 0.153 0.000 1.021 268 F CB 0.491 39.681 39.000 0.318 0.000 1.438 268 F HN -0.545 nan 8.300 nan 0.000 0.516 269 F N 2.150 122.338 119.950 0.397 0.000 2.359 269 F HA 0.553 5.081 4.527 0.001 0.000 0.370 269 F C -0.553 175.394 175.800 0.246 0.000 1.077 269 F CA -0.392 57.756 58.000 0.248 0.000 1.136 269 F CB 0.621 39.735 39.000 0.190 0.000 1.387 269 F HN 0.005 nan 8.300 nan 0.000 0.468 270 I N 2.240 122.978 120.570 0.279 0.000 2.562 270 I HA 0.298 4.469 4.170 0.001 0.000 0.301 270 I C 0.964 177.089 176.117 0.014 0.000 1.003 270 I CA -0.472 60.906 61.300 0.131 0.000 1.127 270 I CB 2.008 39.967 38.000 -0.068 0.000 1.304 270 I HN 0.560 nan 8.210 nan 0.000 0.446 271 E N 2.244 122.426 120.200 -0.031 0.000 2.340 271 E HA 0.145 4.496 4.350 0.001 0.000 0.198 271 E C -0.776 175.745 176.600 -0.130 0.000 0.961 271 E CA 0.107 56.481 56.400 -0.042 0.000 0.905 271 E CB 0.304 30.003 29.700 -0.002 0.000 0.884 271 E HN 0.795 nan 8.360 nan 0.000 0.491 272 D N -0.939 119.302 120.400 -0.265 0.000 2.738 272 D HA 0.365 5.005 4.640 0.001 0.000 0.308 272 D C -1.274 174.722 176.300 -0.507 0.000 1.311 272 D CA -0.745 53.072 54.000 -0.305 0.000 0.799 272 D CB 0.194 40.946 40.800 -0.079 0.000 1.332 272 D HN -0.057 nan 8.370 nan 0.000 0.441 273 F N -0.248 119.727 119.950 0.043 0.000 2.561 273 F HA 0.663 5.191 4.527 0.001 0.000 0.321 273 F C -1.728 174.084 175.800 0.020 0.000 1.065 273 F CA -1.397 56.618 58.000 0.025 0.000 0.934 273 F CB 1.137 40.140 39.000 0.005 0.000 1.215 273 F HN 0.238 nan 8.300 nan 0.000 0.471 274 P HA 0.304 nan 4.420 nan 0.000 0.274 274 P C -0.933 176.472 177.300 0.174 0.000 1.256 274 P CA -0.420 62.818 63.100 0.231 0.000 0.795 274 P CB 1.252 33.023 31.700 0.117 0.000 1.038 275 V N -1.750 118.263 119.914 0.164 0.000 2.258 275 V HA 0.633 4.754 4.120 0.001 0.000 0.258 275 V C 0.110 176.337 176.094 0.222 0.000 1.121 275 V CA -0.148 62.253 62.300 0.167 0.000 0.942 275 V CB -0.671 31.192 31.823 0.066 0.000 1.170 275 V HN 0.818 nan 8.190 nan 0.000 0.487 276 S N 2.790 118.612 115.700 0.202 0.000 2.688 276 S HA 0.661 5.132 4.470 0.001 0.000 0.266 276 S C -1.579 173.079 174.600 0.096 0.000 1.061 276 S CA -0.608 57.701 58.200 0.183 0.000 0.844 276 S CB 1.824 65.108 63.200 0.141 0.000 1.103 276 S HN 0.925 nan 8.310 nan 0.000 0.471 277 K N 0.358 120.800 120.400 0.071 0.000 3.076 277 K HA 0.207 4.527 4.320 0.001 0.000 0.314 277 K C -1.667 174.950 176.600 0.027 0.000 1.113 277 K CA -0.355 55.954 56.287 0.037 0.000 0.860 277 K CB 0.869 33.379 32.500 0.016 0.000 1.435 277 K HN 0.760 nan 8.250 nan 0.000 0.374 278 T N 1.961 116.526 114.554 0.018 0.000 2.738 278 T HA 0.223 4.574 4.350 0.001 0.000 0.293 278 T C 0.534 175.233 174.700 -0.000 0.000 0.913 278 T CA 0.845 62.952 62.100 0.012 0.000 1.103 278 T CB 0.129 69.003 68.868 0.011 0.000 0.880 278 T HN 0.560 nan 8.240 nan 0.000 0.526 279 S N 0.958 116.656 115.700 -0.004 0.000 2.929 279 S HA -0.180 4.291 4.470 0.001 0.000 0.271 279 S C 0.478 175.058 174.600 -0.033 0.000 1.295 279 S CA 1.355 59.544 58.200 -0.017 0.000 1.277 279 S CB -0.744 62.447 63.200 -0.015 0.000 1.557 279 S HN 0.787 nan 8.310 nan 0.000 0.666 280 R N 1.369 121.849 120.500 -0.033 0.000 2.795 280 R HA 0.733 5.074 4.340 0.001 0.000 0.275 280 R C -1.194 175.062 176.300 -0.074 0.000 0.981 280 R CA 0.403 56.472 56.100 -0.052 0.000 0.917 280 R CB 1.703 31.984 30.300 -0.032 0.000 1.202 280 R HN 0.229 nan 8.270 nan 0.000 0.469 281 T N 0.897 115.371 114.554 -0.134 0.000 3.291 281 T HA 0.268 4.619 4.350 0.001 0.000 0.344 281 T C -0.596 173.961 174.700 -0.239 0.000 1.293 281 T CA -1.069 60.888 62.100 -0.238 0.000 1.108 281 T CB 0.980 69.521 68.868 -0.545 0.000 1.231 281 T HN 0.651 nan 8.240 nan 0.000 0.474 282 N N 1.351 119.990 118.700 -0.103 0.000 2.466 282 N HA 0.163 4.904 4.740 0.001 0.000 0.251 282 N C -0.482 175.094 175.510 0.110 0.000 1.164 282 N CA -0.504 52.542 53.050 -0.006 0.000 0.888 282 N CB -0.438 38.066 38.487 0.027 0.000 1.177 282 N HN 0.877 nan 8.380 nan 0.000 0.498 283 Y N -2.798 117.542 120.300 0.066 0.000 2.552 283 Y HA 0.488 5.039 4.550 0.001 0.000 0.337 283 Y C -0.360 175.609 175.900 0.116 0.000 1.094 283 Y CA -1.600 56.575 58.100 0.124 0.000 1.028 283 Y CB 0.611 39.191 38.460 0.201 0.000 1.321 283 Y HN -0.049 nan 8.280 nan 0.000 0.456 284 E N 1.887 122.271 120.200 0.307 0.000 2.384 284 E HA 0.417 4.768 4.350 0.001 0.000 0.266 284 E C -0.354 176.376 176.600 0.216 0.000 1.012 284 E CA 0.298 56.787 56.400 0.149 0.000 0.901 284 E CB 0.753 30.480 29.700 0.045 0.000 0.967 284 E HN 0.873 nan 8.360 nan 0.000 0.435 285 T N 1.162 115.757 114.554 0.068 0.000 2.831 285 T HA 0.344 4.694 4.350 0.001 0.000 0.287 285 T C -0.376 174.342 174.700 0.030 0.000 1.070 285 T CA -0.923 61.234 62.100 0.095 0.000 1.010 285 T CB 0.448 69.333 68.868 0.030 0.000 1.264 285 T HN 0.429 nan 8.240 nan 0.000 0.532 286 F N 2.090 121.950 119.950 -0.150 0.000 2.518 286 F HA 0.433 4.961 4.527 0.001 0.000 0.359 286 F C 1.153 176.864 175.800 -0.148 0.000 1.118 286 F CA 0.812 58.674 58.000 -0.231 0.000 1.287 286 F CB -0.280 38.339 39.000 -0.636 0.000 1.132 286 F HN 1.336 nan 8.300 nan 0.000 0.587 287 A N 2.625 124.799 122.820 -1.077 0.000 5.483 287 A HA -0.248 4.073 4.320 0.001 0.000 0.309 287 A C -0.597 176.766 177.584 -0.369 0.000 1.898 287 A CA 0.967 52.522 52.037 -0.802 0.000 0.716 287 A CB -2.066 16.396 19.000 -0.897 0.000 1.309 287 A HN 1.320 nan 8.150 nan 0.000 0.380 288 V N 0.510 120.262 119.914 -0.270 0.000 2.444 288 V HA 0.595 4.716 4.120 0.001 0.000 0.294 288 V C -0.025 175.988 176.094 -0.134 0.000 1.022 288 V CA 0.339 62.535 62.300 -0.173 0.000 0.850 288 V CB 1.366 33.103 31.823 -0.144 0.000 0.992 288 V HN 1.045 nan 8.190 nan 0.000 0.426 289 Q N 2.006 121.728 119.800 -0.130 0.000 2.463 289 Q HA -0.148 4.193 4.340 0.001 0.000 0.299 289 Q C -0.318 175.629 176.000 -0.088 0.000 1.353 289 Q CA 0.416 56.146 55.803 -0.122 0.000 0.828 289 Q CB -1.059 27.621 28.738 -0.097 0.000 1.157 289 Q HN 0.642 nan 8.270 nan 0.000 0.436 290 V N 0.749 120.621 119.914 -0.070 0.000 2.239 290 V HA 0.098 4.218 4.120 0.001 0.000 0.267 290 V C -1.335 174.778 176.094 0.032 0.000 1.056 290 V CA -1.038 61.262 62.300 0.000 0.000 0.830 290 V CB 1.267 33.123 31.823 0.055 0.000 1.090 290 V HN 0.066 nan 8.190 nan 0.000 0.459 291 P HA -0.209 nan 4.420 nan 0.000 0.217 291 P C 1.467 178.903 177.300 0.225 0.000 1.151 291 P CA 1.718 64.909 63.100 0.152 0.000 0.849 291 P CB 0.326 32.107 31.700 0.135 0.000 0.787 292 A N -2.079 120.831 122.820 0.149 0.000 2.235 292 A HA 0.081 4.402 4.320 0.001 0.000 0.208 292 A C 1.244 178.891 177.584 0.104 0.000 1.172 292 A CA 0.710 52.827 52.037 0.133 0.000 0.786 292 A CB -0.822 18.269 19.000 0.153 0.000 0.804 292 A HN 0.152 nan 8.150 nan 0.000 0.479 293 M N 1.544 121.204 119.600 0.099 0.000 2.746 293 M HA 0.222 4.703 4.480 0.001 0.000 0.209 293 M C -2.877 173.488 176.300 0.108 0.000 1.077 293 M CA -1.676 53.677 55.300 0.090 0.000 0.695 293 M CB 1.669 34.249 32.600 -0.034 0.000 1.416 293 M HN -0.039 nan 8.290 nan 0.000 0.459 294 P HA 0.047 nan 4.420 nan 0.000 0.271 294 P C -0.713 176.770 177.300 0.305 0.000 1.226 294 P CA 0.074 63.211 63.100 0.062 0.000 0.765 294 P CB 0.725 31.951 31.700 -0.789 0.000 0.835 295 K N 4.156 124.790 120.400 0.390 0.000 2.436 295 K HA 0.133 4.454 4.320 0.001 0.000 0.275 295 K C -0.309 176.596 176.600 0.509 0.000 0.999 295 K CA -0.289 56.248 56.287 0.416 0.000 0.980 295 K CB 0.120 32.785 32.500 0.275 0.000 0.919 295 K HN 0.467 nan 8.250 nan 0.000 0.484 296 L N 4.177 125.597 121.223 0.328 0.000 2.334 296 L HA 0.319 4.660 4.340 0.001 0.000 0.277 296 L C 0.791 177.743 176.870 0.136 0.000 1.075 296 L CA -0.471 54.443 54.840 0.124 0.000 0.804 296 L CB 1.175 43.200 42.059 -0.056 0.000 1.174 296 L HN 0.617 nan 8.230 nan 0.000 0.438 297 R N 1.163 121.611 120.500 -0.086 0.000 3.266 297 R HA 0.050 4.391 4.340 0.001 0.000 0.224 297 R C 1.079 177.231 176.300 -0.246 0.000 1.525 297 R CA 0.020 56.019 56.100 -0.168 0.000 1.364 297 R CB 0.138 30.111 30.300 -0.545 0.000 1.276 297 R HN 0.844 nan 8.270 nan 0.000 0.660 298 T N -1.127 113.290 114.554 -0.229 0.000 2.977 298 T HA -0.126 4.225 4.350 0.001 0.000 0.271 298 T C 1.044 175.607 174.700 -0.227 0.000 1.105 298 T CA 1.120 62.994 62.100 -0.378 0.000 1.116 298 T CB 0.013 68.439 68.868 -0.737 0.000 0.878 298 T HN 0.573 nan 8.240 nan 0.000 0.509 299 E N 1.152 121.264 120.200 -0.147 0.000 2.274 299 E HA 0.029 4.380 4.350 0.001 0.000 0.194 299 E C 0.799 177.316 176.600 -0.140 0.000 0.996 299 E CA -0.061 56.284 56.400 -0.092 0.000 0.840 299 E CB -0.015 29.670 29.700 -0.027 0.000 0.772 299 E HN 0.432 nan 8.360 nan 0.000 0.491 300 N N 1.265 119.832 118.700 -0.222 0.000 2.442 300 N HA 0.001 4.742 4.740 0.001 0.000 0.265 300 N C -2.037 173.299 175.510 -0.289 0.000 1.138 300 N CA -1.743 51.154 53.050 -0.254 0.000 0.956 300 N CB 1.230 39.508 38.487 -0.348 0.000 1.067 300 N HN -0.224 nan 8.380 nan 0.000 0.474 301 P HA -0.147 nan 4.420 nan 0.000 0.217 301 P C 0.532 177.681 177.300 -0.251 0.000 1.148 301 P CA 1.469 64.450 63.100 -0.199 0.000 0.828 301 P CB 0.351 31.983 31.700 -0.114 0.000 0.783 302 E N -0.787 119.247 120.200 -0.277 0.000 2.072 302 E HA -0.090 4.261 4.350 0.001 0.000 0.191 302 E C 1.987 178.182 176.600 -0.674 0.000 0.985 302 E CA 1.008 57.237 56.400 -0.285 0.000 0.801 302 E CB -0.630 29.049 29.700 -0.035 0.000 0.750 302 E HN 0.092 nan 8.360 nan 0.000 0.452 303 V N 2.023 121.321 119.914 -1.026 0.000 2.295 303 V HA -0.272 3.849 4.120 0.001 0.000 0.246 303 V C 2.469 178.229 176.094 -0.557 0.000 1.049 303 V CA 1.959 63.627 62.300 -1.054 0.000 1.024 303 V CB -0.499 30.787 31.823 -0.895 0.000 0.648 303 V HN 0.209 nan 8.190 nan 0.000 0.447 304 K N 0.209 120.323 120.400 -0.477 0.000 2.032 304 K HA -0.291 4.030 4.320 0.001 0.000 0.209 304 K C 2.213 178.355 176.600 -0.764 0.000 1.048 304 K CA 2.151 58.113 56.287 -0.543 0.000 0.927 304 K CB -0.178 31.982 32.500 -0.567 0.000 0.712 304 K HN 0.379 nan 8.250 nan 0.000 0.441 305 E N -0.004 119.909 120.200 -0.478 0.000 2.077 305 E HA -0.218 4.132 4.350 0.001 0.000 0.193 305 E C 1.809 178.349 176.600 -0.099 0.000 0.989 305 E CA 1.418 57.669 56.400 -0.248 0.000 0.800 305 E CB -0.477 29.164 29.700 -0.098 0.000 0.746 305 E HN 0.486 nan 8.360 nan 0.000 0.452 306 Y N 0.420 120.603 120.300 -0.196 0.000 2.181 306 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 306 Y C 1.925 177.767 175.900 -0.095 0.000 1.146 306 Y CA 1.779 59.851 58.100 -0.047 0.000 1.164 306 Y CB -0.174 38.306 38.460 0.034 0.000 0.982 306 Y HN 0.043 nan 8.280 nan 0.000 0.515 307 L N -1.051 120.075 121.223 -0.161 0.000 2.141 307 L HA -0.217 4.124 4.340 0.001 0.000 0.209 307 L C 2.356 179.140 176.870 -0.142 0.000 1.094 307 L CA 1.237 55.846 54.840 -0.386 0.000 0.763 307 L CB -0.683 41.019 42.059 -0.595 0.000 0.908 307 L HN 0.294 nan 8.230 nan 0.000 0.437 308 F N 0.191 120.008 119.950 -0.221 0.000 2.186 308 F HA -0.225 4.303 4.527 0.001 0.000 0.299 308 F C 2.276 178.043 175.800 -0.055 0.000 1.090 308 F CA 0.301 58.236 58.000 -0.109 0.000 1.307 308 F CB -0.093 38.837 39.000 -0.115 0.000 1.019 308 F HN 0.180 nan 8.300 nan 0.000 0.489 309 D N 0.170 120.616 120.400 0.077 0.000 2.144 309 D HA -0.128 4.513 4.640 0.001 0.000 0.200 309 D C 2.339 178.658 176.300 0.031 0.000 0.978 309 D CA 0.813 54.822 54.000 0.015 0.000 0.833 309 D CB -0.403 40.341 40.800 -0.093 0.000 0.961 309 D HN 0.038 nan 8.370 nan 0.000 0.470 310 V N 1.347 121.229 119.914 -0.054 0.000 2.295 310 V HA -0.265 3.855 4.120 0.001 0.000 0.246 310 V C 2.529 178.925 176.094 0.504 0.000 1.049 310 V CA 1.900 64.278 62.300 0.130 0.000 1.024 310 V CB -0.805 31.060 31.823 0.069 0.000 0.648 310 V HN 0.192 nan 8.190 nan 0.000 0.447 311 A N -0.115 122.978 122.820 0.454 0.000 1.883 311 A HA -0.253 4.067 4.320 0.001 0.000 0.217 311 A C 2.353 180.311 177.584 0.623 0.000 1.186 311 A CA 1.994 54.410 52.037 0.631 0.000 0.624 311 A CB -0.546 18.663 19.000 0.348 0.000 0.822 311 A HN 0.521 nan 8.150 nan 0.000 0.444 312 R N -1.948 118.758 120.500 0.343 0.000 2.091 312 R HA -0.162 4.179 4.340 0.001 0.000 0.238 312 R C 2.048 178.490 176.300 0.236 0.000 1.136 312 R CA 1.685 57.928 56.100 0.238 0.000 0.959 312 R CB -0.604 29.782 30.300 0.143 0.000 0.856 312 R HN 0.624 nan 8.270 nan 0.000 0.437 313 F N 0.097 120.090 119.950 0.071 0.000 2.069 313 F HA -0.247 4.281 4.527 0.001 0.000 0.298 313 F C 1.672 177.391 175.800 -0.135 0.000 1.113 313 F CA 1.585 59.510 58.000 -0.124 0.000 1.214 313 F CB -0.262 38.542 39.000 -0.325 0.000 0.978 313 F HN 0.005 nan 8.300 nan 0.000 0.474 314 W N -0.028 121.494 121.300 0.370 0.000 2.436 314 W HA -0.072 4.589 4.660 0.001 0.000 0.284 314 W C 2.405 179.015 176.519 0.151 0.000 1.225 314 W CA 0.815 58.306 57.345 0.243 0.000 1.271 314 W CB -0.451 29.278 29.460 0.447 0.000 1.114 314 W HN -0.022 nan 8.180 nan 0.000 0.559 315 M N -0.157 119.697 119.600 0.423 0.000 2.296 315 M HA -0.162 4.319 4.480 0.001 0.000 0.265 315 M C 1.667 178.045 176.300 0.130 0.000 1.064 315 M CA 1.465 56.925 55.300 0.267 0.000 1.109 315 M CB -0.396 32.392 32.600 0.315 0.000 1.396 315 M HN 0.041 nan 8.290 nan 0.000 0.430 316 E N -0.022 120.205 120.200 0.045 0.000 2.268 316 E HA -0.156 4.194 4.350 0.001 0.000 0.195 316 E C 1.703 178.256 176.600 -0.079 0.000 0.995 316 E CA 0.665 57.036 56.400 -0.049 0.000 0.836 316 E CB 0.253 29.872 29.700 -0.135 0.000 0.763 316 E HN 0.411 nan 8.360 nan 0.000 0.491 317 Q N -1.090 118.675 119.800 -0.059 0.000 2.444 317 Q HA 0.068 4.408 4.340 0.001 0.000 0.206 317 Q C 1.184 177.224 176.000 0.066 0.000 0.948 317 Q CA 0.870 56.681 55.803 0.014 0.000 0.946 317 Q CB 1.096 29.957 28.738 0.205 0.000 1.027 317 Q HN 0.382 nan 8.270 nan 0.000 0.513 318 G N 1.612 110.462 108.800 0.083 0.000 2.159 318 G HA2 -0.249 3.712 3.960 0.001 0.000 0.227 318 G HA3 -0.249 3.712 3.960 0.001 0.000 0.227 318 G C 0.382 175.358 174.900 0.127 0.000 0.986 318 G CA 0.211 45.369 45.100 0.097 0.000 0.651 318 G HN 0.464 nan 8.290 nan 0.000 0.523 319 I N -2.285 118.359 120.570 0.124 0.000 3.112 319 I HA 0.415 4.586 4.170 0.001 0.000 0.284 319 I C 0.506 176.656 176.117 0.055 0.000 1.227 319 I CA 0.199 61.545 61.300 0.077 0.000 1.369 319 I CB 0.520 38.529 38.000 0.015 0.000 1.376 319 I HN -0.055 nan 8.210 nan 0.000 0.608 320 D N 2.606 123.033 120.400 0.045 0.000 2.431 320 D HA 0.337 4.978 4.640 0.001 0.000 0.213 320 D C 0.523 176.930 176.300 0.178 0.000 1.130 320 D CA 0.312 54.354 54.000 0.070 0.000 0.834 320 D CB 1.198 41.959 40.800 -0.065 0.000 0.985 320 D HN 0.902 nan 8.370 nan 0.000 0.504 321 G N 0.354 109.172 108.800 0.029 0.000 2.320 321 G HA2 0.304 4.264 3.960 0.001 0.000 0.297 321 G HA3 0.304 4.264 3.960 0.001 0.000 0.297 321 G C -2.278 172.538 174.900 -0.140 0.000 1.344 321 G CA -1.094 44.060 45.100 0.090 0.000 0.851 321 G HN 0.022 nan 8.290 nan 0.000 0.567 322 W N -0.298 121.113 121.300 0.183 0.000 2.936 322 W HA 0.817 5.478 4.660 0.001 0.000 0.338 322 W C -0.041 176.414 176.519 -0.106 0.000 1.121 322 W CA -0.930 56.480 57.345 0.108 0.000 1.209 322 W CB 2.141 31.733 29.460 0.220 0.000 1.420 322 W HN 0.440 nan 8.180 nan 0.000 0.516 323 R N 2.809 123.352 120.500 0.071 0.000 2.393 323 R HA 0.552 4.893 4.340 0.001 0.000 0.315 323 R C -1.478 174.682 176.300 -0.233 0.000 0.952 323 R CA -0.902 55.038 56.100 -0.268 0.000 0.842 323 R CB 0.917 31.010 30.300 -0.345 0.000 1.163 323 R HN 0.711 nan 8.270 nan 0.000 0.450 324 L N 3.644 124.594 121.223 -0.456 0.000 2.265 324 L HA 0.406 4.747 4.340 0.001 0.000 0.289 324 L C 0.447 177.080 176.870 -0.396 0.000 1.033 324 L CA -0.612 53.943 54.840 -0.476 0.000 0.814 324 L CB 1.541 43.124 42.059 -0.793 0.000 1.203 324 L HN 0.291 nan 8.230 nan 0.000 0.423 325 D N 2.316 122.585 120.400 -0.218 0.000 2.304 325 D HA 0.175 4.816 4.640 0.001 0.000 0.250 325 D C 0.638 176.874 176.300 -0.106 0.000 1.107 325 D CA 0.001 53.924 54.000 -0.128 0.000 0.885 325 D CB 2.088 42.905 40.800 0.027 0.000 1.192 325 D HN 0.384 nan 8.370 nan 0.000 0.436 326 V N 2.235 122.087 119.914 -0.102 0.000 4.766 326 V HA -0.328 3.792 4.120 0.001 0.000 0.260 326 V C 1.693 177.779 176.094 -0.013 0.000 0.542 326 V CA 1.028 63.328 62.300 -0.001 0.000 0.766 326 V CB -2.262 29.691 31.823 0.217 0.000 0.697 326 V HN 0.756 nan 8.190 nan 0.000 1.171 327 A N 1.430 124.145 122.820 -0.175 0.000 2.019 327 A HA -0.185 4.136 4.320 0.001 0.000 0.219 327 A C 1.891 179.495 177.584 0.033 0.000 1.164 327 A CA 1.851 53.838 52.037 -0.085 0.000 0.644 327 A CB -0.427 18.179 19.000 -0.657 0.000 0.805 327 A HN 1.058 nan 8.150 nan 0.000 0.449 328 N N 0.101 118.651 118.700 -0.251 0.000 2.571 328 N HA -0.084 4.656 4.740 0.001 0.000 0.189 328 N C 0.698 176.324 175.510 0.192 0.000 1.154 328 N CA 1.101 54.042 53.050 -0.182 0.000 0.907 328 N CB -0.369 37.894 38.487 -0.373 0.000 0.977 328 N HN 0.672 nan 8.380 nan 0.000 0.449 329 E N -0.363 119.938 120.200 0.169 0.000 2.498 329 E HA 0.194 4.544 4.350 0.001 0.000 0.203 329 E C -0.575 176.096 176.600 0.119 0.000 1.013 329 E CA -0.171 56.319 56.400 0.151 0.000 0.927 329 E CB 1.031 30.808 29.700 0.128 0.000 1.012 329 E HN 0.055 nan 8.360 nan 0.000 0.482 330 V N 3.146 123.166 119.914 0.176 0.000 2.532 330 V HA 0.048 4.169 4.120 0.001 0.000 0.295 330 V C 0.214 176.303 176.094 -0.008 0.000 1.041 330 V CA -0.966 61.301 62.300 -0.055 0.000 0.926 330 V CB 1.583 33.239 31.823 -0.279 0.000 0.992 330 V HN 0.206 nan 8.190 nan 0.000 0.457 331 D N 2.199 122.521 120.400 -0.129 0.000 2.368 331 D HA -0.017 4.624 4.640 0.001 0.000 0.240 331 D C 0.660 176.971 176.300 0.020 0.000 1.169 331 D CA -0.091 53.898 54.000 -0.019 0.000 0.906 331 D CB 0.996 41.809 40.800 0.022 0.000 1.187 331 D HN 0.614 nan 8.370 nan 0.000 0.435 332 H N 0.674 119.865 119.070 0.203 0.000 2.387 332 H HA -0.030 4.527 4.556 0.001 0.000 0.299 332 H C 2.097 177.537 175.328 0.188 0.000 1.090 332 H CA 2.112 58.295 56.048 0.226 0.000 1.332 332 H CB -0.016 29.777 29.762 0.051 0.000 1.386 332 H HN 0.628 nan 8.280 nan 0.000 0.516 333 A N 0.406 123.366 122.820 0.234 0.000 1.972 333 A HA -0.179 4.141 4.320 0.001 0.000 0.219 333 A C 2.081 179.775 177.584 0.182 0.000 1.169 333 A CA 1.267 53.405 52.037 0.169 0.000 0.635 333 A CB -0.868 18.197 19.000 0.107 0.000 0.810 333 A HN 0.478 nan 8.150 nan 0.000 0.446 334 F N -0.840 119.089 119.950 -0.035 0.000 2.134 334 F HA -0.164 4.364 4.527 0.001 0.000 0.299 334 F C 1.975 177.825 175.800 0.084 0.000 1.097 334 F CA 1.688 59.622 58.000 -0.111 0.000 1.264 334 F CB -0.388 38.317 39.000 -0.491 0.000 1.001 334 F HN 0.417 nan 8.300 nan 0.000 0.479 335 W N 0.447 122.052 121.300 0.508 0.000 2.418 335 W HA -0.049 4.612 4.660 0.001 0.000 0.292 335 W C 2.543 179.240 176.519 0.297 0.000 1.213 335 W CA 0.526 58.145 57.345 0.457 0.000 1.283 335 W CB -0.322 29.372 29.460 0.390 0.000 1.119 335 W HN -0.193 nan 8.180 nan 0.000 0.542 336 R N 0.574 121.310 120.500 0.393 0.000 2.075 336 R HA -0.120 4.221 4.340 0.001 0.000 0.232 336 R C 1.782 178.179 176.300 0.161 0.000 1.126 336 R CA 1.478 57.712 56.100 0.223 0.000 0.963 336 R CB -0.467 29.917 30.300 0.140 0.000 0.858 336 R HN 0.323 nan 8.270 nan 0.000 0.435 337 E N -0.117 120.179 120.200 0.159 0.000 2.152 337 E HA -0.155 4.196 4.350 0.001 0.000 0.192 337 E C 1.583 178.111 176.600 -0.121 0.000 0.983 337 E CA 0.689 57.138 56.400 0.083 0.000 0.818 337 E CB -0.079 29.752 29.700 0.219 0.000 0.758 337 E HN 0.181 nan 8.360 nan 0.000 0.467 338 F N 1.940 121.761 119.950 -0.215 0.000 2.113 338 F HA -0.137 4.391 4.527 0.001 0.000 0.297 338 F C 2.386 178.100 175.800 -0.143 0.000 1.103 338 F CA 1.509 59.272 58.000 -0.395 0.000 1.248 338 F CB -0.024 39.011 39.000 0.058 0.000 0.999 338 F HN -0.219 nan 8.300 nan 0.000 0.475 339 R N 0.336 120.891 120.500 0.092 0.000 2.081 339 R HA -0.198 4.143 4.340 0.001 0.000 0.235 339 R C 2.587 178.834 176.300 -0.089 0.000 1.131 339 R CA 1.659 57.769 56.100 0.016 0.000 0.960 339 R CB -0.432 29.954 30.300 0.144 0.000 0.856 339 R HN 0.288 nan 8.270 nan 0.000 0.436 340 R N 0.410 120.864 120.500 -0.078 0.000 2.083 340 R HA -0.184 4.157 4.340 0.001 0.000 0.237 340 R C 2.362 178.573 176.300 -0.149 0.000 1.137 340 R CA 1.797 57.847 56.100 -0.082 0.000 0.951 340 R CB -0.445 29.823 30.300 -0.055 0.000 0.851 340 R HN 0.281 nan 8.270 nan 0.000 0.434 341 L N 0.560 121.613 121.223 -0.283 0.000 1.976 341 L HA -0.146 4.195 4.340 0.001 0.000 0.209 341 L C 2.190 178.899 176.870 -0.267 0.000 1.071 341 L CA 1.663 56.306 54.840 -0.329 0.000 0.746 341 L CB -0.609 41.083 42.059 -0.611 0.000 0.890 341 L HN 0.044 nan 8.230 nan 0.000 0.432 342 V N 0.204 119.885 119.914 -0.388 0.000 2.252 342 V HA -0.312 3.809 4.120 0.001 0.000 0.249 342 V C 2.710 178.766 176.094 -0.063 0.000 1.056 342 V CA 2.065 64.224 62.300 -0.234 0.000 1.022 342 V CB -0.883 30.725 31.823 -0.357 0.000 0.641 342 V HN 0.448 nan 8.190 nan 0.000 0.445 343 K N 0.793 121.159 120.400 -0.057 0.000 2.211 343 K HA -0.083 4.238 4.320 0.001 0.000 0.203 343 K C 2.409 179.013 176.600 0.006 0.000 1.050 343 K CA 1.584 57.876 56.287 0.008 0.000 0.945 343 K CB -0.684 31.828 32.500 0.020 0.000 0.732 343 K HN 0.706 nan 8.250 nan 0.000 0.451 344 S N 0.471 116.157 115.700 -0.023 0.000 2.406 344 S HA -0.057 4.414 4.470 0.001 0.000 0.228 344 S C 1.910 176.512 174.600 0.002 0.000 1.020 344 S CA 0.567 58.761 58.200 -0.012 0.000 0.965 344 S CB -0.155 63.027 63.200 -0.029 0.000 0.798 344 S HN 0.030 nan 8.310 nan 0.000 0.488 345 L N 1.673 122.898 121.223 0.003 0.000 2.209 345 L HA 0.386 4.727 4.340 0.001 0.000 0.207 345 L C 0.936 177.833 176.870 0.045 0.000 1.094 345 L CA 0.909 55.765 54.840 0.027 0.000 0.790 345 L CB -0.942 41.141 42.059 0.041 0.000 0.932 345 L HN 0.586 nan 8.230 nan 0.000 0.447 346 N N -1.379 117.355 118.700 0.056 0.000 2.699 346 N HA 0.136 4.877 4.740 0.001 0.000 0.271 346 N C -2.392 173.172 175.510 0.090 0.000 1.216 346 N CA -0.812 52.283 53.050 0.074 0.000 0.844 346 N CB 1.732 40.275 38.487 0.094 0.000 1.462 346 N HN -0.257 nan 8.380 nan 0.000 0.555 347 P HA -0.044 nan 4.420 nan 0.000 0.222 347 P C 0.001 177.380 177.300 0.132 0.000 1.147 347 P CA 0.941 64.095 63.100 0.090 0.000 0.790 347 P CB 0.257 32.001 31.700 0.073 0.000 0.780 348 D N -1.185 119.319 120.400 0.173 0.000 2.339 348 D HA 0.114 4.755 4.640 0.001 0.000 0.217 348 D C 0.762 177.314 176.300 0.420 0.000 1.050 348 D CA 0.139 54.321 54.000 0.304 0.000 0.856 348 D CB -0.265 40.724 40.800 0.315 0.000 0.922 348 D HN 0.057 nan 8.370 nan 0.000 0.518 349 A N 0.901 123.888 122.820 0.279 0.000 2.488 349 A HA 0.294 4.615 4.320 0.001 0.000 0.249 349 A C -0.061 177.700 177.584 0.296 0.000 1.083 349 A CA -0.226 51.989 52.037 0.296 0.000 0.768 349 A CB 0.223 19.361 19.000 0.229 0.000 1.017 349 A HN 0.190 nan 8.150 nan 0.000 0.496 350 L N 3.129 124.561 121.223 0.347 0.000 2.325 350 L HA 0.657 4.997 4.340 0.001 0.000 0.279 350 L C -0.521 176.484 176.870 0.225 0.000 1.054 350 L CA -0.104 54.876 54.840 0.233 0.000 0.804 350 L CB 1.087 43.282 42.059 0.226 0.000 1.200 350 L HN 0.588 nan 8.230 nan 0.000 0.436 351 I N 5.528 126.179 120.570 0.135 0.000 2.411 351 I HA 0.397 4.568 4.170 0.001 0.000 0.284 351 I C -1.082 174.922 176.117 -0.189 0.000 1.012 351 I CA -0.677 60.681 61.300 0.096 0.000 1.119 351 I CB 1.671 39.806 38.000 0.226 0.000 1.261 351 I HN 0.216 nan 8.210 nan 0.000 0.448 352 V N 4.946 124.607 119.914 -0.422 0.000 2.495 352 V HA 0.697 4.818 4.120 0.001 0.000 0.298 352 V C 0.516 176.042 176.094 -0.947 0.000 1.031 352 V CA -0.511 61.346 62.300 -0.737 0.000 0.871 352 V CB 1.719 32.872 31.823 -1.115 0.000 0.988 352 V HN 0.836 nan 8.190 nan 0.000 0.432 353 G N 2.339 110.489 108.800 -1.083 0.000 2.441 353 G HA2 0.646 4.606 3.960 0.001 0.000 0.334 353 G HA3 0.646 4.606 3.960 0.001 0.000 0.334 353 G C -0.974 173.442 174.900 -0.808 0.000 1.161 353 G CA -0.436 43.939 45.100 -1.209 0.000 0.935 353 G HN 0.715 nan 8.290 nan 0.000 0.488 354 E N 0.624 120.364 120.200 -0.768 0.000 2.102 354 E HA 0.498 4.849 4.350 0.001 0.000 0.263 354 E C -0.911 175.124 176.600 -0.942 0.000 0.894 354 E CA -0.449 55.463 56.400 -0.813 0.000 0.746 354 E CB 0.705 29.995 29.700 -0.685 0.000 1.129 354 E HN 0.328 nan 8.360 nan 0.000 0.416 355 I N 4.364 124.380 120.570 -0.924 0.000 2.512 355 I HA 0.222 4.393 4.170 0.001 0.000 0.287 355 I C -0.536 175.234 176.117 -0.579 0.000 1.069 355 I CA -0.700 60.119 61.300 -0.803 0.000 1.056 355 I CB 1.421 38.960 38.000 -0.769 0.000 1.229 355 I HN 0.679 nan 8.210 nan 0.000 0.429 356 W N 5.895 127.049 121.300 -0.243 0.000 3.285 356 W HA 0.195 4.856 4.660 0.001 0.000 0.426 356 W C 0.482 176.837 176.519 -0.274 0.000 0.957 356 W CA -0.469 56.596 57.345 -0.467 0.000 1.932 356 W CB -0.247 29.003 29.460 -0.350 0.000 0.961 356 W HN 0.628 nan 8.180 nan 0.000 0.832 357 H N -4.377 114.791 119.070 0.164 0.000 2.917 357 H HA 0.117 4.673 4.556 0.001 0.000 0.299 357 H C -0.722 174.866 175.328 0.433 0.000 1.418 357 H CA -1.390 54.853 56.048 0.324 0.000 1.138 357 H CB 0.206 30.102 29.762 0.223 0.000 1.830 357 H HN -0.270 nan 8.280 nan 0.000 0.514 358 D N 0.295 121.000 120.400 0.508 0.000 2.661 358 D HA 0.010 4.651 4.640 0.001 0.000 0.244 358 D C 0.480 177.061 176.300 0.469 0.000 1.196 358 D CA 1.015 55.300 54.000 0.476 0.000 0.881 358 D CB 0.373 41.408 40.800 0.391 0.000 1.141 358 D HN 0.716 nan 8.370 nan 0.000 0.530 359 A N 3.183 126.290 122.820 0.477 0.000 2.462 359 A HA 0.049 4.370 4.320 0.001 0.000 0.261 359 A C 1.917 179.688 177.584 0.312 0.000 1.323 359 A CA 0.345 52.621 52.037 0.398 0.000 0.913 359 A CB -0.207 18.825 19.000 0.053 0.000 1.028 359 A HN 0.556 nan 8.150 nan 0.000 0.511 360 S N -0.623 115.333 115.700 0.426 0.000 2.402 360 S HA -0.132 4.339 4.470 0.001 0.000 0.233 360 S C 1.885 176.525 174.600 0.066 0.000 1.030 360 S CA 1.483 59.864 58.200 0.302 0.000 1.003 360 S CB -0.854 62.575 63.200 0.381 0.000 0.813 360 S HN 0.688 nan 8.310 nan 0.000 0.477 361 G N -0.246 108.521 108.800 -0.055 0.000 2.498 361 G HA2 -0.087 3.874 3.960 0.001 0.000 0.219 361 G HA3 -0.087 3.874 3.960 0.001 0.000 0.219 361 G C 0.992 175.594 174.900 -0.497 0.000 1.119 361 G CA 0.436 45.297 45.100 -0.398 0.000 0.766 361 G HN 0.644 nan 8.290 nan 0.000 0.552 362 W N -0.475 120.740 121.300 -0.142 0.000 3.127 362 W HA 0.440 5.101 4.660 0.001 0.000 0.344 362 W C 0.566 176.860 176.519 -0.375 0.000 1.151 362 W CA -0.300 56.808 57.345 -0.396 0.000 1.765 362 W CB 0.327 29.381 29.460 -0.676 0.000 1.085 362 W HN 0.043 nan 8.180 nan 0.000 0.596 363 L N 0.880 122.063 121.223 -0.067 0.000 3.141 363 L HA 0.187 4.528 4.340 0.001 0.000 0.263 363 L C 1.505 178.304 176.870 -0.118 0.000 1.312 363 L CA -0.160 54.635 54.840 -0.076 0.000 1.012 363 L CB 0.010 41.972 42.059 -0.161 0.000 1.408 363 L HN -0.191 nan 8.230 nan 0.000 0.559 364 M N -0.629 118.802 119.600 -0.281 0.000 2.510 364 M HA 0.263 4.744 4.480 0.001 0.000 0.256 364 M C 1.560 177.463 176.300 -0.661 0.000 1.132 364 M CA 0.962 56.090 55.300 -0.287 0.000 1.105 364 M CB 0.248 32.740 32.600 -0.180 0.000 1.375 364 M HN 0.476 nan 8.290 nan 0.000 0.477 365 G N 1.258 109.370 108.800 -1.146 0.000 2.296 365 G HA2 -0.195 3.766 3.960 0.001 0.000 0.188 365 G HA3 -0.195 3.766 3.960 0.001 0.000 0.188 365 G C 0.310 174.874 174.900 -0.561 0.000 1.000 365 G CA 0.352 44.551 45.100 -1.502 0.000 0.672 365 G HN 0.506 nan 8.290 nan 0.000 0.483 366 D N -0.012 120.184 120.400 -0.339 0.000 2.369 366 D HA 0.248 4.889 4.640 0.001 0.000 0.211 366 D C 1.470 177.740 176.300 -0.051 0.000 1.077 366 D CA 0.811 54.728 54.000 -0.139 0.000 0.842 366 D CB 0.150 40.896 40.800 -0.090 0.000 0.947 366 D HN 0.548 nan 8.370 nan 0.000 0.509 367 Q N -0.723 119.020 119.800 -0.096 0.000 1.981 367 Q HA 0.336 4.677 4.340 0.001 0.000 0.157 367 Q C -0.071 176.034 176.000 0.176 0.000 0.503 367 Q CA -0.343 55.465 55.803 0.008 0.000 0.695 367 Q CB 0.671 29.289 28.738 -0.200 0.000 1.038 367 Q HN 0.113 nan 8.270 nan 0.000 0.388 368 F N 1.518 121.479 119.950 0.018 0.000 2.377 368 F HA 0.208 4.736 4.527 0.001 0.000 0.328 368 F C 0.871 176.702 175.800 0.053 0.000 1.094 368 F CA -0.990 56.993 58.000 -0.027 0.000 1.093 368 F CB 0.925 39.833 39.000 -0.154 0.000 1.214 368 F HN 0.224 nan 8.300 nan 0.000 0.518 369 D N 0.148 120.711 120.400 0.272 0.000 2.213 369 D HA -0.005 4.636 4.640 0.001 0.000 0.205 369 D C 0.492 176.879 176.300 0.145 0.000 0.961 369 D CA 1.048 55.207 54.000 0.266 0.000 0.853 369 D CB 0.374 41.239 40.800 0.108 0.000 0.967 369 D HN 0.476 nan 8.370 nan 0.000 0.496 370 S N -1.115 114.584 115.700 -0.001 0.000 2.655 370 S HA 0.549 5.020 4.470 0.001 0.000 0.266 370 S C -0.738 173.700 174.600 -0.269 0.000 1.149 370 S CA -0.786 57.341 58.200 -0.122 0.000 0.818 370 S CB 1.868 64.970 63.200 -0.164 0.000 1.130 370 S HN 0.002 nan 8.310 nan 0.000 0.476 371 V N -2.446 117.300 119.914 -0.280 0.000 3.156 371 V HA 0.724 4.844 4.120 0.001 0.000 0.310 371 V C -0.731 175.211 176.094 -0.253 0.000 1.234 371 V CA -1.425 60.667 62.300 -0.347 0.000 1.065 371 V CB 1.584 33.255 31.823 -0.253 0.000 1.088 371 V HN 0.928 nan 8.190 nan 0.000 0.451 372 M N 3.067 122.545 119.600 -0.203 0.000 2.200 372 M HA 0.325 4.805 4.480 0.001 0.000 0.355 372 M C 0.112 176.540 176.300 0.214 0.000 1.283 372 M CA 0.198 55.523 55.300 0.043 0.000 1.124 372 M CB -0.298 32.356 32.600 0.089 0.000 1.625 372 M HN 0.857 nan 8.290 nan 0.000 0.463 373 N N 3.571 122.412 118.700 0.236 0.000 3.124 373 N HA 0.002 4.743 4.740 0.001 0.000 0.284 373 N C 0.663 176.360 175.510 0.311 0.000 1.209 373 N CA -0.092 53.095 53.050 0.228 0.000 1.149 373 N CB -0.206 38.379 38.487 0.163 0.000 1.434 373 N HN 0.534 nan 8.380 nan 0.000 0.529 374 Y N 0.451 120.965 120.300 0.358 0.000 2.274 374 Y HA -0.079 4.472 4.550 0.001 0.000 0.290 374 Y C 1.506 177.560 175.900 0.257 0.000 1.145 374 Y CA 0.819 59.117 58.100 0.331 0.000 1.203 374 Y CB -0.318 38.372 38.460 0.382 0.000 0.984 374 Y HN 0.215 nan 8.280 nan 0.000 0.533 375 L N -0.658 120.280 121.223 -0.475 0.000 2.046 375 L HA -0.154 4.186 4.340 0.001 0.000 0.208 375 L C 2.500 179.377 176.870 0.013 0.000 1.077 375 L CA 1.764 56.429 54.840 -0.292 0.000 0.747 375 L CB -0.710 41.143 42.059 -0.344 0.000 0.896 375 L HN 0.371 nan 8.230 nan 0.000 0.432 376 F N 1.028 120.968 119.950 -0.018 0.000 2.095 376 F HA -0.272 4.256 4.527 0.001 0.000 0.298 376 F C 2.816 178.700 175.800 0.138 0.000 1.104 376 F CA 1.833 59.878 58.000 0.075 0.000 1.232 376 F CB -0.284 38.791 39.000 0.125 0.000 0.987 376 F HN -0.118 nan 8.300 nan 0.000 0.475 377 R N 0.453 121.173 120.500 0.367 0.000 2.081 377 R HA -0.176 4.165 4.340 0.001 0.000 0.235 377 R C 2.211 178.600 176.300 0.150 0.000 1.131 377 R CA 2.044 58.298 56.100 0.256 0.000 0.960 377 R CB -0.473 30.017 30.300 0.316 0.000 0.856 377 R HN 0.439 nan 8.270 nan 0.000 0.436 378 E N -0.234 120.047 120.200 0.135 0.000 2.077 378 E HA -0.146 4.205 4.350 0.001 0.000 0.193 378 E C 2.033 178.676 176.600 0.072 0.000 0.989 378 E CA 1.634 58.096 56.400 0.103 0.000 0.800 378 E CB 0.056 29.818 29.700 0.103 0.000 0.746 378 E HN 0.319 nan 8.360 nan 0.000 0.452 379 S N 0.223 115.941 115.700 0.029 0.000 2.368 379 S HA -0.107 4.364 4.470 0.001 0.000 0.224 379 S C 2.161 176.869 174.600 0.179 0.000 1.029 379 S CA 0.756 58.989 58.200 0.055 0.000 0.988 379 S CB -0.031 63.111 63.200 -0.096 0.000 0.838 379 S HN 0.059 nan 8.310 nan 0.000 0.462 380 V N 2.276 122.252 119.914 0.103 0.000 2.427 380 V HA -0.112 4.009 4.120 0.001 0.000 0.248 380 V C 2.159 178.487 176.094 0.391 0.000 1.051 380 V CA 1.081 63.528 62.300 0.245 0.000 1.048 380 V CB -0.573 31.222 31.823 -0.048 0.000 0.666 380 V HN 0.413 nan 8.190 nan 0.000 0.456 381 I N 0.206 120.969 120.570 0.322 0.000 2.142 381 I HA -0.207 3.963 4.170 0.001 0.000 0.240 381 I C 2.628 178.801 176.117 0.093 0.000 1.078 381 I CA 1.809 63.264 61.300 0.259 0.000 1.343 381 I CB -0.985 37.116 38.000 0.168 0.000 1.046 381 I HN 0.282 nan 8.210 nan 0.000 0.405 382 R N -0.768 119.772 120.500 0.067 0.000 2.148 382 R HA -0.158 4.183 4.340 0.001 0.000 0.227 382 R C 2.096 178.391 176.300 -0.009 0.000 1.103 382 R CA 1.090 57.198 56.100 0.014 0.000 0.983 382 R CB -0.199 30.108 30.300 0.012 0.000 0.874 382 R HN 0.234 nan 8.270 nan 0.000 0.451 383 F N -0.615 119.168 119.950 -0.279 0.000 2.243 383 F HA 0.118 4.646 4.527 0.001 0.000 0.287 383 F C 1.326 176.794 175.800 -0.553 0.000 1.067 383 F CA 0.848 58.496 58.000 -0.587 0.000 1.304 383 F CB -0.148 38.091 39.000 -1.269 0.000 1.087 383 F HN -0.181 nan 8.300 nan 0.000 0.513 384 F N -0.249 119.486 119.950 -0.359 0.000 2.317 384 F HA 0.175 4.702 4.527 0.001 0.000 0.293 384 F C 2.386 178.049 175.800 -0.228 0.000 1.085 384 F CA 0.843 58.641 58.000 -0.337 0.000 1.390 384 F CB -0.797 38.156 39.000 -0.080 0.000 1.077 384 F HN 0.040 nan 8.300 nan 0.000 0.517 385 A N 0.030 122.843 122.820 -0.011 0.000 1.862 385 A HA -0.069 4.252 4.320 0.001 0.000 0.211 385 A C 2.160 179.645 177.584 -0.165 0.000 1.220 385 A CA 1.750 53.660 52.037 -0.212 0.000 0.616 385 A CB -1.251 17.476 19.000 -0.456 0.000 0.878 385 A HN 0.315 nan 8.150 nan 0.000 0.453 386 T N -4.346 110.135 114.554 -0.122 0.000 3.051 386 T HA 0.374 4.725 4.350 0.001 0.000 0.255 386 T C 1.412 176.060 174.700 -0.087 0.000 1.085 386 T CA 1.233 63.275 62.100 -0.097 0.000 1.109 386 T CB -0.063 68.761 68.868 -0.073 0.000 0.921 386 T HN 1.796 nan 8.240 nan 0.000 0.488 387 G N 1.580 110.317 108.800 -0.105 0.000 2.176 387 G HA2 -0.273 3.688 3.960 0.001 0.000 0.252 387 G HA3 -0.273 3.688 3.960 0.001 0.000 0.252 387 G C 0.444 175.310 174.900 -0.056 0.000 1.024 387 G CA 0.476 45.515 45.100 -0.101 0.000 0.755 387 G HN 0.607 nan 8.290 nan 0.000 0.507 388 E N -0.685 119.485 120.200 -0.050 0.000 2.285 388 E HA 0.172 4.522 4.350 0.001 0.000 0.194 388 E C 1.542 178.105 176.600 -0.062 0.000 0.997 388 E CA 1.020 57.392 56.400 -0.047 0.000 0.845 388 E CB 0.149 29.823 29.700 -0.044 0.000 0.782 388 E HN 0.911 nan 8.360 nan 0.000 0.491 389 I N -1.853 118.690 120.570 -0.046 0.000 2.785 389 I HA 0.380 4.551 4.170 0.001 0.000 0.302 389 I C 0.145 176.279 176.117 0.029 0.000 1.069 389 I CA -1.175 60.060 61.300 -0.108 0.000 1.045 389 I CB 1.774 39.706 38.000 -0.113 0.000 1.236 389 I HN -0.124 nan 8.210 nan 0.000 0.429 390 H N 3.206 122.304 119.070 0.047 0.000 2.580 390 H HA 0.581 5.137 4.556 0.001 0.000 0.324 390 H C 0.936 176.228 175.328 -0.060 0.000 1.436 390 H CA -0.460 55.644 56.048 0.093 0.000 1.464 390 H CB 1.393 31.176 29.762 0.036 0.000 1.752 390 H HN 0.768 nan 8.280 nan 0.000 0.726 391 A N 0.373 123.326 122.820 0.222 0.000 1.948 391 A HA -0.216 4.105 4.320 0.001 0.000 0.220 391 A C 2.122 179.648 177.584 -0.096 0.000 1.177 391 A CA 1.949 53.911 52.037 -0.125 0.000 0.636 391 A CB -0.848 18.213 19.000 0.102 0.000 0.815 391 A HN 0.863 nan 8.150 nan 0.000 0.449 392 E N -1.211 119.065 120.200 0.128 0.000 2.072 392 E HA -0.181 4.169 4.350 0.001 0.000 0.190 392 E C 2.312 178.927 176.600 0.026 0.000 0.982 392 E CA 1.106 57.550 56.400 0.072 0.000 0.803 392 E CB -0.120 29.615 29.700 0.058 0.000 0.755 392 E HN 0.500 nan 8.360 nan 0.000 0.453 393 R N 1.041 121.582 120.500 0.069 0.000 2.066 393 R HA -0.141 4.200 4.340 0.001 0.000 0.232 393 R C 1.933 178.108 176.300 -0.208 0.000 1.131 393 R CA 1.341 57.358 56.100 -0.138 0.000 0.955 393 R CB -0.979 29.134 30.300 -0.312 0.000 0.851 393 R HN 0.197 nan 8.270 nan 0.000 0.432 394 F N 1.072 120.705 119.950 -0.527 0.000 2.091 394 F HA -0.310 4.218 4.527 0.001 0.000 0.299 394 F C 2.036 177.404 175.800 -0.720 0.000 1.103 394 F CA 2.165 59.695 58.000 -0.784 0.000 1.228 394 F CB -0.402 37.689 39.000 -1.516 0.000 0.984 394 F HN 0.222 nan 8.300 nan 0.000 0.477 395 D N 0.449 120.415 120.400 -0.722 0.000 2.104 395 D HA -0.223 4.418 4.640 0.001 0.000 0.194 395 D C 2.217 178.297 176.300 -0.365 0.000 0.994 395 D CA 1.618 55.226 54.000 -0.653 0.000 0.830 395 D CB -0.485 40.140 40.800 -0.292 0.000 0.959 395 D HN 0.363 nan 8.370 nan 0.000 0.452 396 A N 0.530 123.209 122.820 -0.236 0.000 1.877 396 A HA -0.185 4.136 4.320 0.001 0.000 0.216 396 A C 2.202 179.694 177.584 -0.154 0.000 1.186 396 A CA 1.766 53.727 52.037 -0.128 0.000 0.620 396 A CB -0.669 18.287 19.000 -0.074 0.000 0.822 396 A HN 0.346 nan 8.150 nan 0.000 0.443 397 E N -0.257 119.807 120.200 -0.226 0.000 2.077 397 E HA -0.155 4.196 4.350 0.001 0.000 0.193 397 E C 1.993 178.444 176.600 -0.248 0.000 0.989 397 E CA 1.173 57.448 56.400 -0.209 0.000 0.800 397 E CB -0.278 29.290 29.700 -0.220 0.000 0.746 397 E HN 0.635 nan 8.360 nan 0.000 0.452 398 L N 0.461 121.444 121.223 -0.401 0.000 2.017 398 L HA -0.173 4.168 4.340 0.001 0.000 0.208 398 L C 2.607 179.389 176.870 -0.147 0.000 1.073 398 L CA 1.308 55.952 54.840 -0.327 0.000 0.745 398 L CB -0.680 41.046 42.059 -0.555 0.000 0.894 398 L HN 0.169 nan 8.230 nan 0.000 0.432 399 T N -0.844 113.617 114.554 -0.155 0.000 2.708 399 T HA -0.238 4.113 4.350 0.001 0.000 0.266 399 T C 2.007 176.594 174.700 -0.188 0.000 1.037 399 T CA 1.368 63.395 62.100 -0.123 0.000 1.146 399 T CB -0.247 68.584 68.868 -0.062 0.000 0.865 399 T HN 0.249 nan 8.240 nan 0.000 0.435 400 R N 0.906 121.335 120.500 -0.118 0.000 2.083 400 R HA -0.076 4.265 4.340 0.001 0.000 0.237 400 R C 2.623 178.825 176.300 -0.163 0.000 1.137 400 R CA 1.513 57.559 56.100 -0.091 0.000 0.951 400 R CB -0.484 29.822 30.300 0.010 0.000 0.851 400 R HN 0.385 nan 8.270 nan 0.000 0.434 401 A N 1.121 123.854 122.820 -0.145 0.000 1.877 401 A HA -0.170 4.151 4.320 0.001 0.000 0.216 401 A C 2.220 179.686 177.584 -0.197 0.000 1.186 401 A CA 1.282 53.222 52.037 -0.162 0.000 0.620 401 A CB -0.634 18.307 19.000 -0.097 0.000 0.822 401 A HN 0.323 nan 8.150 nan 0.000 0.443 402 R N -1.063 119.348 120.500 -0.149 0.000 2.105 402 R HA -0.117 4.224 4.340 0.001 0.000 0.239 402 R C 1.354 177.510 176.300 -0.240 0.000 1.135 402 R CA 1.641 57.652 56.100 -0.148 0.000 0.967 402 R CB -0.238 29.994 30.300 -0.114 0.000 0.861 402 R HN 0.421 nan 8.270 nan 0.000 0.442 403 M N 0.460 119.845 119.600 -0.359 0.000 2.618 403 M HA -0.043 4.438 4.480 0.001 0.000 0.240 403 M C 1.504 177.591 176.300 -0.355 0.000 1.123 403 M CA 0.324 55.362 55.300 -0.436 0.000 1.060 403 M CB -0.338 31.752 32.600 -0.850 0.000 1.535 403 M HN 0.069 nan 8.290 nan 0.000 0.507 404 L N -0.957 120.011 121.223 -0.424 0.000 2.056 404 L HA -0.042 4.299 4.340 0.001 0.000 0.207 404 L C 0.478 177.004 176.870 -0.574 0.000 1.078 404 L CA 1.535 56.002 54.840 -0.621 0.000 0.749 404 L CB -0.571 40.808 42.059 -1.133 0.000 0.901 404 L HN 0.194 nan 8.230 nan 0.000 0.433 405 Y N -2.693 117.576 120.300 -0.053 0.000 2.662 405 Y HA 0.488 5.039 4.550 0.001 0.000 0.335 405 Y C -2.081 173.731 175.900 -0.147 0.000 1.066 405 Y CA -3.013 55.054 58.100 -0.055 0.000 1.116 405 Y CB -0.018 38.437 38.460 -0.008 0.000 1.308 405 Y HN -0.276 nan 8.280 nan 0.000 0.502 406 P HA -0.006 nan 4.420 nan 0.000 0.270 406 P C 0.407 177.528 177.300 -0.298 0.000 1.223 406 P CA 0.039 62.795 63.100 -0.574 0.000 0.785 406 P CB 0.591 31.804 31.700 -0.812 0.000 0.923 407 E N 1.342 121.409 120.200 -0.222 0.000 2.209 407 E HA -0.292 4.059 4.350 0.001 0.000 0.196 407 E C 0.997 177.462 176.600 -0.225 0.000 0.993 407 E CA 1.400 57.735 56.400 -0.109 0.000 0.819 407 E CB -0.481 29.234 29.700 0.025 0.000 0.745 407 E HN 0.404 nan 8.360 nan 0.000 0.477 408 Q N 0.835 120.402 119.800 -0.389 0.000 2.167 408 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 408 Q C 2.081 177.665 176.000 -0.694 0.000 0.970 408 Q CA 1.871 57.303 55.803 -0.617 0.000 0.855 408 Q CB -0.118 28.031 28.738 -0.982 0.000 0.911 408 Q HN 0.485 nan 8.270 nan 0.000 0.438 409 A N 0.480 122.966 122.820 -0.556 0.000 1.861 409 A HA 0.126 4.447 4.320 0.001 0.000 0.212 409 A C 2.259 179.768 177.584 -0.126 0.000 1.199 409 A CA 1.092 52.971 52.037 -0.264 0.000 0.613 409 A CB -0.984 18.014 19.000 -0.004 0.000 0.846 409 A HN 0.343 nan 8.150 nan 0.000 0.446 410 A N -0.890 121.893 122.820 -0.061 0.000 1.917 410 A HA -0.263 4.058 4.320 0.001 0.000 0.219 410 A C 2.163 179.684 177.584 -0.104 0.000 1.182 410 A CA 1.931 53.951 52.037 -0.027 0.000 0.633 410 A CB -0.576 18.401 19.000 -0.039 0.000 0.819 410 A HN 0.522 nan 8.150 nan 0.000 0.448 411 Q N -0.349 119.359 119.800 -0.152 0.000 2.291 411 Q HA -0.110 4.231 4.340 0.001 0.000 0.206 411 Q C 1.547 177.455 176.000 -0.153 0.000 0.976 411 Q CA 1.578 57.280 55.803 -0.168 0.000 0.875 411 Q CB -0.336 28.298 28.738 -0.174 0.000 0.927 411 Q HN 0.581 nan 8.270 nan 0.000 0.450 412 G N -0.158 108.561 108.800 -0.135 0.000 3.453 412 G HA2 0.248 4.209 3.960 0.001 0.000 0.263 412 G HA3 0.248 4.209 3.960 0.001 0.000 0.263 412 G C 0.254 175.170 174.900 0.028 0.000 1.060 412 G CA -0.432 44.620 45.100 -0.081 0.000 0.793 412 G HN 0.129 nan 8.290 nan 0.000 0.532 413 L N 0.725 121.951 121.223 0.005 0.000 2.485 413 L HA 0.137 4.478 4.340 0.001 0.000 0.275 413 L C 0.040 177.016 176.870 0.178 0.000 1.207 413 L CA -0.627 54.250 54.840 0.060 0.000 0.855 413 L CB 0.519 42.607 42.059 0.047 0.000 1.114 413 L HN 0.139 nan 8.230 nan 0.000 0.485 414 W N 3.137 124.361 121.300 -0.126 0.000 2.481 414 W HA 0.170 4.830 4.660 0.001 0.000 0.320 414 W C 0.101 176.521 176.519 -0.166 0.000 1.209 414 W CA -0.876 56.387 57.345 -0.136 0.000 1.400 414 W CB -0.430 28.968 29.460 -0.105 0.000 1.361 414 W HN 0.348 nan 8.180 nan 0.000 0.456 415 N N 5.279 123.863 118.700 -0.192 0.000 2.521 415 N HA 0.184 4.925 4.740 0.001 0.000 0.236 415 N C -0.229 175.075 175.510 -0.344 0.000 1.067 415 N CA -0.223 52.446 53.050 -0.634 0.000 0.939 415 N CB 0.364 37.940 38.487 -1.518 0.000 1.201 415 N HN 0.387 nan 8.380 nan 0.000 0.511 416 L N -1.109 120.145 121.223 0.053 0.000 2.375 416 L HA 0.564 4.904 4.340 0.001 0.000 0.268 416 L C 0.394 177.449 176.870 0.309 0.000 1.058 416 L CA -0.775 54.176 54.840 0.185 0.000 0.803 416 L CB 1.163 43.365 42.059 0.238 0.000 1.212 416 L HN 0.212 nan 8.230 nan 0.000 0.451 417 L N -0.115 121.218 121.223 0.183 0.000 2.537 417 L HA 0.293 4.633 4.340 0.001 0.000 0.224 417 L C -0.442 176.548 176.870 0.200 0.000 1.065 417 L CA 0.144 55.023 54.840 0.064 0.000 0.860 417 L CB 0.078 41.990 42.059 -0.245 0.000 1.086 417 L HN 0.913 nan 8.230 nan 0.000 0.482 418 D N -1.972 118.517 120.400 0.148 0.000 2.792 418 D HA 0.472 5.113 4.640 0.001 0.000 0.335 418 D C -0.648 175.561 176.300 -0.152 0.000 1.353 418 D CA -0.238 53.785 54.000 0.039 0.000 0.839 418 D CB 1.102 41.945 40.800 0.072 0.000 1.396 418 D HN -0.075 nan 8.370 nan 0.000 0.479 419 S N -2.238 113.197 115.700 -0.442 0.000 2.683 419 S HA 0.291 4.762 4.470 0.001 0.000 0.269 419 S C 0.451 174.586 174.600 -0.775 0.000 1.165 419 S CA -0.390 57.452 58.200 -0.597 0.000 0.840 419 S CB 0.343 63.476 63.200 -0.112 0.000 1.169 419 S HN 0.890 nan 8.310 nan 0.000 0.490 420 H N 0.112 118.994 119.070 -0.314 0.000 2.567 420 H HA 0.182 4.739 4.556 0.001 0.000 0.276 420 H C -0.355 174.961 175.328 -0.020 0.000 1.016 420 H CA 1.050 57.077 56.048 -0.034 0.000 1.186 420 H CB -0.450 29.458 29.762 0.244 0.000 1.351 420 H HN 0.576 nan 8.280 nan 0.000 0.605 421 D N 1.260 121.360 120.400 -0.501 0.000 2.501 421 D HA 0.097 4.737 4.640 0.001 0.000 0.224 421 D C 0.473 176.648 176.300 -0.209 0.000 1.202 421 D CA 0.357 54.170 54.000 -0.312 0.000 0.829 421 D CB 1.089 41.675 40.800 -0.357 0.000 1.023 421 D HN 0.552 nan 8.370 nan 0.000 0.499 422 T N -2.492 111.941 114.554 -0.202 0.000 2.787 422 T HA 0.424 4.775 4.350 0.001 0.000 0.297 422 T C -0.306 174.332 174.700 -0.104 0.000 1.221 422 T CA -0.986 61.032 62.100 -0.138 0.000 1.006 422 T CB 2.390 71.186 68.868 -0.120 0.000 1.328 422 T HN -0.005 nan 8.240 nan 0.000 0.509 423 E N 0.811 120.974 120.200 -0.062 0.000 2.390 423 E HA 0.326 4.676 4.350 0.001 0.000 0.261 423 E C -0.281 176.319 176.600 0.000 0.000 1.076 423 E CA -0.909 55.469 56.400 -0.037 0.000 0.905 423 E CB 0.778 30.454 29.700 -0.040 0.000 0.984 423 E HN 0.486 nan 8.360 nan 0.000 0.427 424 R N 0.933 121.451 120.500 0.030 0.000 2.594 424 R HA 0.033 4.374 4.340 0.001 0.000 0.272 424 R C 0.620 177.019 176.300 0.165 0.000 1.074 424 R CA -0.241 55.929 56.100 0.118 0.000 1.105 424 R CB 0.223 30.583 30.300 0.100 0.000 1.008 424 R HN 0.634 nan 8.270 nan 0.000 0.472 425 F N 2.221 122.272 119.950 0.168 0.000 2.161 425 F HA -0.217 4.311 4.527 0.001 0.000 0.300 425 F C 1.913 177.872 175.800 0.265 0.000 1.089 425 F CA 1.435 59.569 58.000 0.224 0.000 1.282 425 F CB -0.015 39.164 39.000 0.299 0.000 1.010 425 F HN 0.483 nan 8.300 nan 0.000 0.485 426 L N -0.691 120.711 121.223 0.298 0.000 2.046 426 L HA -0.253 4.088 4.340 0.001 0.000 0.208 426 L C 2.181 179.005 176.870 -0.078 0.000 1.077 426 L CA 2.010 56.867 54.840 0.028 0.000 0.747 426 L CB -0.721 41.187 42.059 -0.251 0.000 0.896 426 L HN 0.148 nan 8.230 nan 0.000 0.432 427 T N -1.120 113.392 114.554 -0.069 0.000 2.821 427 T HA -0.120 4.231 4.350 0.001 0.000 0.267 427 T C 1.980 176.601 174.700 -0.132 0.000 1.046 427 T CA 1.397 63.442 62.100 -0.092 0.000 1.139 427 T CB 0.001 68.829 68.868 -0.066 0.000 0.871 427 T HN 0.349 nan 8.240 nan 0.000 0.454 428 S N 0.672 116.260 115.700 -0.187 0.000 2.399 428 S HA -0.096 4.375 4.470 0.001 0.000 0.231 428 S C 1.949 176.372 174.600 -0.295 0.000 1.022 428 S CA 0.699 58.746 58.200 -0.255 0.000 0.983 428 S CB -0.413 62.560 63.200 -0.378 0.000 0.803 428 S HN 0.564 nan 8.310 nan 0.000 0.480 429 C N 1.606 120.709 119.300 -0.328 0.000 2.578 429 C HA 0.424 4.884 4.460 0.001 0.000 0.285 429 C C 1.870 176.763 174.990 -0.161 0.000 1.297 429 C CA -0.408 58.459 59.018 -0.252 0.000 1.690 429 C CB -1.702 25.921 27.740 -0.196 0.000 1.773 429 C HN 0.727 nan 8.230 nan 0.000 0.594 430 G N 0.691 109.406 108.800 -0.141 0.000 2.283 430 G HA2 -0.002 3.959 3.960 0.001 0.000 0.280 430 G HA3 -0.002 3.959 3.960 0.001 0.000 0.280 430 G C 0.985 175.826 174.900 -0.098 0.000 1.029 430 G CA 0.570 45.606 45.100 -0.107 0.000 0.840 430 G HN 1.508 nan 8.290 nan 0.000 0.505 431 G N -1.147 107.590 108.800 -0.105 0.000 2.162 431 G HA2 -0.336 3.625 3.960 0.001 0.000 0.260 431 G HA3 -0.336 3.625 3.960 0.001 0.000 0.260 431 G C 0.290 175.130 174.900 -0.100 0.000 0.976 431 G CA 0.732 45.770 45.100 -0.104 0.000 0.655 431 G HN 1.424 nan 8.290 nan 0.000 0.533 432 N N 0.900 119.538 118.700 -0.103 0.000 2.402 432 N HA 0.197 4.938 4.740 0.001 0.000 0.252 432 N C 1.134 176.597 175.510 -0.078 0.000 1.118 432 N CA 0.351 53.333 53.050 -0.113 0.000 0.945 432 N CB 0.745 39.130 38.487 -0.171 0.000 1.147 432 N HN 0.563 nan 8.380 nan 0.000 0.495 433 E N 3.231 123.393 120.200 -0.064 0.000 2.204 433 E HA -0.140 4.211 4.350 0.001 0.000 0.194 433 E C 1.360 177.971 176.600 0.018 0.000 0.989 433 E CA 0.823 57.223 56.400 0.000 0.000 0.824 433 E CB 0.196 29.875 29.700 -0.035 0.000 0.756 433 E HN 0.726 nan 8.360 nan 0.000 0.477 434 A N 1.388 124.150 122.820 -0.097 0.000 1.877 434 A HA -0.197 4.124 4.320 0.001 0.000 0.216 434 A C 2.005 179.455 177.584 -0.225 0.000 1.186 434 A CA 1.562 53.512 52.037 -0.144 0.000 0.620 434 A CB -0.270 18.634 19.000 -0.160 0.000 0.822 434 A HN 0.119 nan 8.150 nan 0.000 0.443 435 K N -1.542 118.630 120.400 -0.380 0.000 2.057 435 K HA -0.091 4.230 4.320 0.001 0.000 0.206 435 K C 1.800 178.390 176.600 -0.016 0.000 1.050 435 K CA 1.497 57.608 56.287 -0.293 0.000 0.935 435 K CB -0.357 31.952 32.500 -0.318 0.000 0.715 435 K HN 0.488 nan 8.250 nan 0.000 0.439 436 F N 2.284 122.204 119.950 -0.049 0.000 2.095 436 F HA -0.211 4.317 4.527 0.001 0.000 0.298 436 F C 2.168 178.010 175.800 0.070 0.000 1.104 436 F CA 1.517 59.596 58.000 0.130 0.000 1.232 436 F CB 0.023 39.093 39.000 0.117 0.000 0.987 436 F HN -0.128 nan 8.300 nan 0.000 0.475 437 R N -0.268 120.299 120.500 0.112 0.000 2.096 437 R HA -0.155 4.186 4.340 0.001 0.000 0.235 437 R C 2.119 178.405 176.300 -0.023 0.000 1.127 437 R CA 1.469 57.574 56.100 0.008 0.000 0.968 437 R CB -0.793 29.369 30.300 -0.229 0.000 0.861 437 R HN 0.331 nan 8.270 nan 0.000 0.440 438 L N 0.632 121.798 121.223 -0.094 0.000 2.141 438 L HA -0.051 4.289 4.340 0.001 0.000 0.209 438 L C 2.189 178.738 176.870 -0.535 0.000 1.094 438 L CA 1.604 56.371 54.840 -0.122 0.000 0.763 438 L CB -0.438 41.638 42.059 0.028 0.000 0.908 438 L HN 0.098 nan 8.230 nan 0.000 0.437 439 A N -1.529 120.807 122.820 -0.806 0.000 1.929 439 A HA -0.091 4.229 4.320 0.001 0.000 0.216 439 A C 2.223 179.501 177.584 -0.511 0.000 1.176 439 A CA 1.665 53.062 52.037 -1.068 0.000 0.628 439 A CB -0.831 17.767 19.000 -0.670 0.000 0.816 439 A HN 0.252 nan 8.150 nan 0.000 0.444 440 V N -0.171 119.469 119.914 -0.457 0.000 2.358 440 V HA -0.213 3.908 4.120 0.001 0.000 0.246 440 V C 2.465 178.424 176.094 -0.225 0.000 1.047 440 V CA 1.746 63.811 62.300 -0.392 0.000 1.035 440 V CB -0.724 30.791 31.823 -0.513 0.000 0.658 440 V HN 0.630 nan 8.190 nan 0.000 0.452 441 L N -0.712 120.466 121.223 -0.075 0.000 2.042 441 L HA -0.231 4.110 4.340 0.001 0.000 0.210 441 L C 2.307 179.251 176.870 0.123 0.000 1.076 441 L CA 2.144 56.990 54.840 0.010 0.000 0.749 441 L CB -0.361 41.807 42.059 0.181 0.000 0.893 441 L HN 0.385 nan 8.230 nan 0.000 0.432 442 F N 0.104 120.080 119.950 0.043 0.000 2.075 442 F HA -0.306 4.222 4.527 0.001 0.000 0.297 442 F C 2.665 178.630 175.800 0.276 0.000 1.113 442 F CA 2.037 60.197 58.000 0.266 0.000 1.218 442 F CB -0.288 38.885 39.000 0.289 0.000 0.984 442 F HN 0.174 nan 8.300 nan 0.000 0.472 443 Q N -0.096 119.746 119.800 0.069 0.000 2.062 443 Q HA -0.307 4.034 4.340 0.001 0.000 0.209 443 Q C 2.093 178.028 176.000 -0.109 0.000 0.996 443 Q CA 2.270 58.098 55.803 0.043 0.000 0.859 443 Q CB -0.291 28.485 28.738 0.063 0.000 0.920 443 Q HN 0.428 nan 8.270 nan 0.000 0.415 444 M N -0.046 119.478 119.600 -0.126 0.000 2.549 444 M HA -0.072 4.409 4.480 0.001 0.000 0.260 444 M C 1.448 177.687 176.300 -0.101 0.000 1.076 444 M CA 1.554 56.759 55.300 -0.157 0.000 1.090 444 M CB 0.082 32.540 32.600 -0.236 0.000 1.418 444 M HN 0.423 nan 8.290 nan 0.000 0.486 445 T N -4.409 110.142 114.554 -0.005 0.000 3.040 445 T HA 0.145 4.495 4.350 0.001 0.000 0.266 445 T C 0.233 175.063 174.700 0.216 0.000 1.005 445 T CA -0.414 61.754 62.100 0.114 0.000 0.906 445 T CB -0.242 68.760 68.868 0.223 0.000 1.082 445 T HN 0.151 nan 8.240 nan 0.000 0.531 446 Y N 1.782 121.979 120.300 -0.172 0.000 2.334 446 Y HA 0.590 5.141 4.550 0.001 0.000 0.325 446 Y C 0.061 175.828 175.900 -0.222 0.000 1.308 446 Y CA -2.427 55.464 58.100 -0.349 0.000 1.389 446 Y CB 0.695 38.626 38.460 -0.881 0.000 1.328 446 Y HN 0.128 nan 8.280 nan 0.000 0.532 447 L N 3.651 124.185 121.223 -1.148 0.000 2.477 447 L HA 0.478 4.818 4.340 0.001 0.000 0.272 447 L C 0.159 176.718 176.870 -0.518 0.000 1.157 447 L CA 1.356 55.736 54.840 -0.767 0.000 0.889 447 L CB -0.645 40.916 42.059 -0.830 0.000 1.158 447 L HN 0.826 nan 8.230 nan 0.000 0.473 448 G N 2.685 111.301 108.800 -0.307 0.000 2.347 448 G HA2 0.017 3.978 3.960 0.001 0.000 0.341 448 G HA3 0.017 3.978 3.960 0.001 0.000 0.341 448 G C -0.907 173.868 174.900 -0.207 0.000 1.287 448 G CA -0.515 44.454 45.100 -0.218 0.000 0.984 448 G HN 0.584 nan 8.290 nan 0.000 0.526 449 T N 3.113 117.563 114.554 -0.173 0.000 2.743 449 T HA 0.605 4.955 4.350 0.001 0.000 0.292 449 T C -2.490 172.034 174.700 -0.294 0.000 0.972 449 T CA -0.691 61.279 62.100 -0.217 0.000 0.967 449 T CB 1.665 70.405 68.868 -0.213 0.000 0.926 449 T HN 0.378 nan 8.240 nan 0.000 0.459 450 P HA 0.248 nan 4.420 nan 0.000 0.268 450 P C -0.959 176.198 177.300 -0.238 0.000 1.204 450 P CA -0.599 62.355 63.100 -0.242 0.000 0.768 450 P CB 0.458 32.051 31.700 -0.177 0.000 0.842 451 L N 5.370 126.487 121.223 -0.178 0.000 2.343 451 L HA 0.482 4.823 4.340 0.001 0.000 0.278 451 L C -1.097 175.782 176.870 0.016 0.000 0.996 451 L CA -0.382 54.378 54.840 -0.134 0.000 0.831 451 L CB 0.731 42.726 42.059 -0.107 0.000 1.232 451 L HN 0.233 nan 8.230 nan 0.000 0.413 452 I N 5.106 125.700 120.570 0.041 0.000 2.331 452 I HA 0.215 4.386 4.170 0.001 0.000 0.292 452 I C -0.935 175.152 176.117 -0.050 0.000 0.998 452 I CA -0.802 60.545 61.300 0.078 0.000 1.267 452 I CB 1.100 39.192 38.000 0.154 0.000 1.386 452 I HN 0.549 nan 8.210 nan 0.000 0.476 453 Y N 8.249 128.485 120.300 -0.106 0.000 2.316 453 Y HA 0.193 4.744 4.550 0.001 0.000 0.331 453 Y C -0.022 175.688 175.900 -0.317 0.000 1.083 453 Y CA -1.362 56.651 58.100 -0.146 0.000 1.206 453 Y CB 0.396 38.841 38.460 -0.026 0.000 1.195 453 Y HN 0.459 nan 8.280 nan 0.000 0.497 454 Y N 4.492 124.289 120.300 -0.839 0.000 2.895 454 Y HA 0.297 4.848 4.550 0.001 0.000 0.334 454 Y C 1.079 176.754 175.900 -0.374 0.000 1.261 454 Y CA 0.219 57.947 58.100 -0.621 0.000 1.560 454 Y CB -0.046 38.241 38.460 -0.288 0.000 1.253 454 Y HN 0.957 nan 8.280 nan 0.000 0.582 455 G N 2.913 111.633 108.800 -0.133 0.000 2.299 455 G HA2 -0.377 3.584 3.960 0.001 0.000 0.237 455 G HA3 -0.377 3.584 3.960 0.001 0.000 0.237 455 G C 0.783 175.592 174.900 -0.152 0.000 1.027 455 G CA 0.386 45.359 45.100 -0.211 0.000 0.619 455 G HN 0.628 nan 8.290 nan 0.000 0.513 456 D N 1.306 121.634 120.400 -0.120 0.000 2.149 456 D HA -0.062 4.579 4.640 0.001 0.000 0.198 456 D C 2.476 178.822 176.300 0.076 0.000 0.990 456 D CA 1.519 55.566 54.000 0.079 0.000 0.839 456 D CB -0.146 40.832 40.800 0.297 0.000 0.948 456 D HN 0.729 nan 8.370 nan 0.000 0.460 457 E N 1.143 121.253 120.200 -0.151 0.000 2.333 457 E HA -0.162 4.188 4.350 0.001 0.000 0.198 457 E C 1.688 178.341 176.600 0.088 0.000 1.007 457 E CA 0.666 56.823 56.400 -0.404 0.000 0.845 457 E CB -0.489 28.931 29.700 -0.466 0.000 0.766 457 E HN 0.529 nan 8.360 nan 0.000 0.507 458 I N -3.781 116.835 120.570 0.077 0.000 3.927 458 I HA 0.548 4.719 4.170 0.001 0.000 0.332 458 I C 0.947 177.054 176.117 -0.017 0.000 1.485 458 I CA -0.113 61.224 61.300 0.062 0.000 1.131 458 I CB 0.689 38.677 38.000 -0.020 0.000 1.092 458 I HN -0.002 nan 8.210 nan 0.000 0.410 459 G N 1.877 110.646 108.800 -0.052 0.000 2.198 459 G HA2 -0.248 3.713 3.960 0.001 0.000 0.257 459 G HA3 -0.248 3.713 3.960 0.001 0.000 0.257 459 G C 0.062 174.858 174.900 -0.173 0.000 1.042 459 G CA 0.048 45.053 45.100 -0.159 0.000 0.791 459 G HN 0.426 nan 8.290 nan 0.000 0.502 460 M N -0.050 119.451 119.600 -0.165 0.000 2.241 460 M HA 0.545 5.026 4.480 0.001 0.000 0.335 460 M C 0.699 176.908 176.300 -0.152 0.000 1.122 460 M CA 0.853 56.052 55.300 -0.169 0.000 1.164 460 M CB 1.254 33.724 32.600 -0.217 0.000 1.459 460 M HN 0.663 nan 8.290 nan 0.000 0.461 461 A N 0.952 123.694 122.820 -0.130 0.000 2.524 461 A HA 1.033 5.354 4.320 0.001 0.000 0.286 461 A C -0.484 177.052 177.584 -0.080 0.000 1.203 461 A CA -0.192 51.786 52.037 -0.100 0.000 0.736 461 A CB 1.882 20.818 19.000 -0.108 0.000 1.322 461 A HN 0.980 nan 8.150 nan 0.000 0.424 462 G N -2.012 106.752 108.800 -0.060 0.000 2.352 462 G HA2 0.618 4.578 3.960 0.001 0.000 0.303 462 G HA3 0.618 4.578 3.960 0.001 0.000 0.303 462 G C -0.371 174.503 174.900 -0.043 0.000 1.593 462 G CA 0.170 45.237 45.100 -0.054 0.000 0.963 462 G HN 1.973 nan 8.290 nan 0.000 0.685 463 A N 0.353 123.145 122.820 -0.048 0.000 2.267 463 A HA 0.854 5.175 4.320 0.001 0.000 0.271 463 A C 1.298 178.854 177.584 -0.046 0.000 1.131 463 A CA 0.951 52.959 52.037 -0.047 0.000 0.818 463 A CB 0.306 19.276 19.000 -0.049 0.000 1.118 463 A HN 2.036 nan 8.150 nan 0.000 0.501 464 T N -0.890 113.635 114.554 -0.049 0.000 2.680 464 T HA 0.164 4.514 4.350 0.001 0.000 0.314 464 T C 0.373 175.042 174.700 -0.052 0.000 1.045 464 T CA 0.574 62.642 62.100 -0.053 0.000 1.025 464 T CB -0.156 68.679 68.868 -0.055 0.000 1.000 464 T HN 0.823 nan 8.240 nan 0.000 0.535 465 D N 1.342 121.715 120.400 -0.045 0.000 2.648 465 D HA -0.014 4.627 4.640 0.001 0.000 0.229 465 D C -1.323 174.921 176.300 -0.094 0.000 1.119 465 D CA -0.818 53.162 54.000 -0.034 0.000 0.850 465 D CB 0.762 41.584 40.800 0.038 0.000 1.169 465 D HN 0.303 nan 8.370 nan 0.000 0.489 466 P HA 0.072 nan 4.420 nan 0.000 0.261 466 P C 0.313 177.559 177.300 -0.089 0.000 1.268 466 P CA -0.018 62.993 63.100 -0.147 0.000 0.833 466 P CB 0.452 32.007 31.700 -0.241 0.000 1.231 467 D N 0.517 120.866 120.400 -0.086 0.000 2.310 467 D HA -0.116 4.525 4.640 0.001 0.000 0.212 467 D C 1.480 177.751 176.300 -0.049 0.000 0.965 467 D CA 0.757 54.718 54.000 -0.065 0.000 0.879 467 D CB -0.480 40.282 40.800 -0.062 0.000 0.921 467 D HN 0.217 nan 8.370 nan 0.000 0.510 468 C N -0.986 118.297 119.300 -0.029 0.000 2.626 468 C HA 0.307 4.768 4.460 0.001 0.000 0.266 468 C C 1.645 176.674 174.990 0.064 0.000 1.317 468 C CA -0.533 58.502 59.018 0.028 0.000 1.716 468 C CB -1.495 26.264 27.740 0.031 0.000 1.819 468 C HN 0.172 nan 8.230 nan 0.000 0.578 469 L N 0.786 122.004 121.223 -0.008 0.000 2.928 469 L HA 0.281 4.622 4.340 0.001 0.000 0.246 469 L C 0.830 177.692 176.870 -0.013 0.000 1.239 469 L CA -0.164 54.664 54.840 -0.020 0.000 1.035 469 L CB -0.518 41.444 42.059 -0.162 0.000 1.360 469 L HN 0.242 nan 8.230 nan 0.000 0.529 470 R N 1.879 122.330 120.500 -0.082 0.000 2.734 470 R HA 0.136 4.477 4.340 0.001 0.000 0.266 470 R C -2.111 173.999 176.300 -0.316 0.000 1.044 470 R CA -1.473 54.483 56.100 -0.240 0.000 1.128 470 R CB -0.098 30.070 30.300 -0.220 0.000 1.010 470 R HN -0.066 nan 8.270 nan 0.000 0.461 471 P HA -0.077 nan 4.420 nan 0.000 0.268 471 P C -0.435 176.608 177.300 -0.429 0.000 1.204 471 P CA -0.205 62.269 63.100 -1.044 0.000 0.768 471 P CB 0.598 30.980 31.700 -2.197 0.000 0.842 472 M N 4.444 124.029 119.600 -0.025 0.000 2.248 472 M HA 0.025 4.506 4.480 0.001 0.000 0.343 472 M C -0.319 175.815 176.300 -0.276 0.000 1.243 472 M CA 0.616 55.841 55.300 -0.126 0.000 1.025 472 M CB -0.499 31.889 32.600 -0.354 0.000 1.759 472 M HN 0.157 nan 8.290 nan 0.000 0.452 473 I N 6.732 127.054 120.570 -0.413 0.000 2.322 473 I HA -0.015 4.156 4.170 0.001 0.000 0.292 473 I C -0.071 175.768 176.117 -0.464 0.000 1.060 473 I CA 0.442 61.572 61.300 -0.284 0.000 1.309 473 I CB -0.522 37.358 38.000 -0.200 0.000 1.415 473 I HN 0.967 nan 8.210 nan 0.000 0.492 474 W N 3.084 124.349 121.300 -0.058 0.000 2.808 474 W HA 0.131 4.792 4.660 0.001 0.000 0.266 474 W C 1.127 177.559 176.519 -0.145 0.000 1.247 474 W CA -0.344 56.890 57.345 -0.185 0.000 1.440 474 W CB 0.437 29.747 29.460 -0.251 0.000 1.040 474 W HN 0.443 nan 8.180 nan 0.000 0.606 475 E N 2.548 122.821 120.200 0.123 0.000 2.383 475 E HA -0.126 4.224 4.350 0.001 0.000 0.257 475 E C 1.283 177.897 176.600 0.024 0.000 1.079 475 E CA 0.124 56.560 56.400 0.060 0.000 0.934 475 E CB 0.683 30.412 29.700 0.048 0.000 0.978 475 E HN 0.245 nan 8.360 nan 0.000 0.462 476 E N 3.728 123.940 120.200 0.020 0.000 2.114 476 E HA -0.293 4.058 4.350 0.001 0.000 0.199 476 E C 0.982 177.582 176.600 -0.000 0.000 1.008 476 E CA 1.739 58.140 56.400 0.002 0.000 0.810 476 E CB 0.233 29.937 29.700 0.008 0.000 0.739 476 E HN 0.391 nan 8.360 nan 0.000 0.456 477 K N 0.471 120.875 120.400 0.006 0.000 2.360 477 K HA -0.093 4.227 4.320 0.001 0.000 0.201 477 K C 1.513 178.113 176.600 -0.000 0.000 1.046 477 K CA 0.935 57.226 56.287 0.006 0.000 0.945 477 K CB 0.149 32.654 32.500 0.009 0.000 0.750 477 K HN 0.162 nan 8.250 nan 0.000 0.464 478 E N 0.370 120.567 120.200 -0.006 0.000 2.472 478 E HA 0.045 4.396 4.350 0.001 0.000 0.196 478 E C -0.080 176.499 176.600 -0.036 0.000 1.033 478 E CA 0.220 56.609 56.400 -0.018 0.000 0.886 478 E CB 0.304 29.994 29.700 -0.016 0.000 0.944 478 E HN 0.435 nan 8.360 nan 0.000 0.492 479 Q N 0.884 120.662 119.800 -0.036 0.000 2.221 479 Q HA 0.225 4.566 4.340 0.001 0.000 0.242 479 Q C 0.151 176.145 176.000 -0.010 0.000 0.940 479 Q CA -0.510 55.264 55.803 -0.047 0.000 0.896 479 Q CB 0.854 29.547 28.738 -0.075 0.000 1.226 479 Q HN -0.140 nan 8.270 nan 0.000 0.463 480 N N 1.604 120.310 118.700 0.010 0.000 2.602 480 N HA 0.037 4.778 4.740 0.001 0.000 0.238 480 N C 0.177 175.762 175.510 0.125 0.000 1.084 480 N CA -0.006 53.074 53.050 0.051 0.000 0.952 480 N CB 0.428 38.939 38.487 0.040 0.000 1.244 480 N HN 0.447 nan 8.380 nan 0.000 0.512 481 R N 1.895 122.467 120.500 0.119 0.000 2.189 481 R HA 0.001 4.342 4.340 0.001 0.000 0.223 481 R C 1.697 178.152 176.300 0.259 0.000 1.092 481 R CA 0.804 57.023 56.100 0.197 0.000 0.989 481 R CB -0.758 29.625 30.300 0.139 0.000 0.876 481 R HN 0.556 nan 8.270 nan 0.000 0.457 482 G N 1.115 110.027 108.800 0.186 0.000 2.421 482 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 482 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 482 G C 1.573 176.627 174.900 0.256 0.000 1.171 482 G CA 0.126 45.333 45.100 0.178 0.000 0.775 482 G HN 0.197 nan 8.290 nan 0.000 0.543 483 L N -0.756 120.633 121.223 0.278 0.000 2.017 483 L HA -0.004 4.337 4.340 0.001 0.000 0.208 483 L C 2.580 179.789 176.870 0.565 0.000 1.073 483 L CA 1.221 56.313 54.840 0.420 0.000 0.745 483 L CB -0.312 41.972 42.059 0.376 0.000 0.894 483 L HN 0.318 nan 8.230 nan 0.000 0.432 484 F N 0.838 120.954 119.950 0.277 0.000 2.065 484 F HA -0.321 4.207 4.527 0.001 0.000 0.298 484 F C 2.598 178.542 175.800 0.240 0.000 1.112 484 F CA 1.723 59.855 58.000 0.220 0.000 1.212 484 F CB 0.027 39.115 39.000 0.147 0.000 0.975 484 F HN 0.086 nan 8.300 nan 0.000 0.476 485 E N -0.070 120.290 120.200 0.267 0.000 2.153 485 E HA -0.246 4.105 4.350 0.001 0.000 0.194 485 E C 2.015 178.709 176.600 0.155 0.000 0.988 485 E CA 1.211 57.686 56.400 0.125 0.000 0.811 485 E CB -0.792 29.018 29.700 0.184 0.000 0.746 485 E HN 0.586 nan 8.360 nan 0.000 0.466 486 F N 0.067 120.080 119.950 0.104 0.000 2.113 486 F HA -0.258 4.270 4.527 0.001 0.000 0.297 486 F C 2.142 177.961 175.800 0.031 0.000 1.103 486 F CA 1.165 59.207 58.000 0.070 0.000 1.248 486 F CB -0.167 38.896 39.000 0.104 0.000 0.999 486 F HN -0.056 nan 8.300 nan 0.000 0.475 487 Y N 1.080 121.358 120.300 -0.036 0.000 2.097 487 Y HA -0.259 4.292 4.550 0.001 0.000 0.282 487 Y C 2.449 178.194 175.900 -0.259 0.000 1.152 487 Y CA 2.120 60.117 58.100 -0.171 0.000 1.136 487 Y CB -0.567 37.864 38.460 -0.047 0.000 0.975 487 Y HN -0.043 nan 8.280 nan 0.000 0.498 488 K N -0.103 120.219 120.400 -0.129 0.000 2.044 488 K HA -0.286 4.035 4.320 0.001 0.000 0.210 488 K C 2.102 178.611 176.600 -0.152 0.000 1.049 488 K CA 1.957 58.117 56.287 -0.211 0.000 0.927 488 K CB -0.252 32.056 32.500 -0.319 0.000 0.713 488 K HN 0.384 nan 8.250 nan 0.000 0.443 489 E N 0.989 121.104 120.200 -0.142 0.000 2.077 489 E HA -0.176 4.175 4.350 0.001 0.000 0.193 489 E C 1.996 178.477 176.600 -0.197 0.000 0.989 489 E CA 0.814 57.135 56.400 -0.132 0.000 0.800 489 E CB 0.034 29.686 29.700 -0.080 0.000 0.746 489 E HN 0.224 nan 8.360 nan 0.000 0.452 490 L N 0.546 121.574 121.223 -0.324 0.000 2.046 490 L HA -0.177 4.164 4.340 0.001 0.000 0.208 490 L C 2.528 179.245 176.870 -0.255 0.000 1.077 490 L CA 0.881 55.511 54.840 -0.350 0.000 0.747 490 L CB -0.310 41.428 42.059 -0.534 0.000 0.896 490 L HN 0.257 nan 8.230 nan 0.000 0.432 491 I N -0.583 119.857 120.570 -0.216 0.000 2.226 491 I HA -0.290 3.881 4.170 0.001 0.000 0.245 491 I C 2.772 178.794 176.117 -0.159 0.000 1.100 491 I CA 1.233 62.416 61.300 -0.195 0.000 1.374 491 I CB -0.289 37.652 38.000 -0.097 0.000 1.057 491 I HN 0.204 nan 8.210 nan 0.000 0.413 492 R N 0.513 120.965 120.500 -0.080 0.000 2.081 492 R HA -0.134 4.207 4.340 0.001 0.000 0.235 492 R C 2.347 178.606 176.300 -0.068 0.000 1.131 492 R CA 1.261 57.350 56.100 -0.017 0.000 0.960 492 R CB -0.491 29.786 30.300 -0.038 0.000 0.856 492 R HN 0.353 nan 8.270 nan 0.000 0.436 493 L N 0.218 121.366 121.223 -0.125 0.000 2.042 493 L HA -0.197 4.144 4.340 0.001 0.000 0.210 493 L C 2.825 179.593 176.870 -0.169 0.000 1.076 493 L CA 1.376 56.128 54.840 -0.147 0.000 0.749 493 L CB -0.417 41.555 42.059 -0.145 0.000 0.893 493 L HN 0.200 nan 8.230 nan 0.000 0.432 494 R N -0.982 119.388 120.500 -0.217 0.000 2.096 494 R HA -0.178 4.163 4.340 0.001 0.000 0.235 494 R C 2.346 178.500 176.300 -0.243 0.000 1.127 494 R CA 1.270 57.216 56.100 -0.256 0.000 0.968 494 R CB -0.115 29.980 30.300 -0.342 0.000 0.861 494 R HN 0.445 nan 8.270 nan 0.000 0.440 495 H N -0.452 118.559 119.070 -0.100 0.000 2.462 495 H HA 0.023 4.579 4.556 0.001 0.000 0.292 495 H C 1.841 177.106 175.328 -0.104 0.000 1.049 495 H CA 1.056 57.052 56.048 -0.087 0.000 1.334 495 H CB 0.173 29.890 29.762 -0.074 0.000 1.404 495 H HN 0.212 nan 8.280 nan 0.000 0.544 496 R N 0.086 120.568 120.500 -0.031 0.000 2.200 496 R HA 0.158 4.499 4.340 0.001 0.000 0.208 496 R C 0.267 176.451 176.300 -0.194 0.000 1.033 496 R CA 0.163 56.194 56.100 -0.115 0.000 1.000 496 R CB 0.418 30.622 30.300 -0.161 0.000 0.906 496 R HN 0.057 nan 8.270 nan 0.000 0.462 497 L N 0.780 121.887 121.223 -0.195 0.000 2.272 497 L HA 0.326 4.667 4.340 0.001 0.000 0.284 497 L C 1.094 177.898 176.870 -0.111 0.000 1.045 497 L CA -0.573 54.138 54.840 -0.215 0.000 0.842 497 L CB 1.553 43.470 42.059 -0.236 0.000 1.224 497 L HN 0.093 nan 8.230 nan 0.000 0.430 498 A N 2.167 124.941 122.820 -0.076 0.000 1.948 498 A HA -0.214 4.107 4.320 0.001 0.000 0.220 498 A C 2.343 179.911 177.584 -0.026 0.000 1.177 498 A CA 2.222 54.236 52.037 -0.037 0.000 0.636 498 A CB -0.389 18.601 19.000 -0.017 0.000 0.815 498 A HN 0.805 nan 8.150 nan 0.000 0.449 499 S N -0.157 115.538 115.700 -0.008 0.000 2.442 499 S HA -0.032 4.438 4.470 0.001 0.000 0.236 499 S C 1.659 176.260 174.600 0.001 0.000 1.007 499 S CA 1.317 59.527 58.200 0.017 0.000 0.965 499 S CB -0.613 62.627 63.200 0.068 0.000 0.773 499 S HN 0.491 nan 8.310 nan 0.000 0.504 500 L N 1.581 122.788 121.223 -0.027 0.000 2.313 500 L HA 0.031 4.372 4.340 0.001 0.000 0.214 500 L C 2.774 179.599 176.870 -0.075 0.000 1.119 500 L CA 1.378 56.195 54.840 -0.038 0.000 0.809 500 L CB -0.777 41.243 42.059 -0.065 0.000 0.933 500 L HN 0.635 nan 8.230 nan 0.000 0.449 501 T N -4.292 110.217 114.554 -0.075 0.000 3.026 501 T HA 0.078 4.429 4.350 0.001 0.000 0.245 501 T C 1.699 176.350 174.700 -0.081 0.000 1.004 501 T CA -0.224 61.824 62.100 -0.087 0.000 1.069 501 T CB 0.157 68.984 68.868 -0.068 0.000 1.005 501 T HN 0.165 nan 8.240 nan 0.000 0.472 502 R N 1.076 121.541 120.500 -0.058 0.000 2.543 502 R HA 0.446 4.787 4.340 0.001 0.000 0.323 502 R C 0.893 177.168 176.300 -0.042 0.000 1.002 502 R CA -0.296 55.771 56.100 -0.055 0.000 1.106 502 R CB 1.033 31.310 30.300 -0.039 0.000 1.280 502 R HN 0.424 nan 8.270 nan 0.000 0.549 503 G N 0.763 109.542 108.800 -0.035 0.000 2.477 503 G HA2 0.142 4.103 3.960 0.001 0.000 0.304 503 G HA3 0.142 4.103 3.960 0.001 0.000 0.304 503 G C -0.345 174.539 174.900 -0.028 0.000 1.175 503 G CA -0.734 44.360 45.100 -0.011 0.000 0.907 503 G HN 0.324 nan 8.290 nan 0.000 0.509 504 N N -2.284 116.414 118.700 -0.003 0.000 2.405 504 N HA 0.479 5.220 4.740 0.001 0.000 0.269 504 N C -1.054 174.459 175.510 0.005 0.000 1.249 504 N CA -0.755 52.285 53.050 -0.016 0.000 0.974 504 N CB 1.875 40.364 38.487 0.003 0.000 1.204 504 N HN 0.442 nan 8.380 nan 0.000 0.565 505 V N -0.222 119.692 119.914 0.001 0.000 2.709 505 V HA 0.551 4.672 4.120 0.001 0.000 0.308 505 V C -1.390 174.766 176.094 0.103 0.000 1.062 505 V CA -0.679 61.664 62.300 0.072 0.000 0.901 505 V CB 1.608 33.415 31.823 -0.025 0.000 1.003 505 V HN 0.749 nan 8.190 nan 0.000 0.425 506 R N 3.640 124.243 120.500 0.171 0.000 2.621 506 R HA 0.519 4.860 4.340 0.001 0.000 0.284 506 R C -0.642 175.804 176.300 0.244 0.000 0.998 506 R CA -0.598 55.592 56.100 0.149 0.000 0.895 506 R CB 2.143 32.486 30.300 0.072 0.000 1.195 506 R HN 0.741 nan 8.270 nan 0.000 0.450 507 S N 1.497 117.347 115.700 0.251 0.000 2.549 507 S HA 0.074 4.545 4.470 0.001 0.000 0.279 507 S C 0.215 174.994 174.600 0.298 0.000 1.321 507 S CA -0.316 58.076 58.200 0.320 0.000 1.054 507 S CB 0.657 64.055 63.200 0.329 0.000 0.899 507 S HN 0.647 nan 8.310 nan 0.000 0.497 508 W N 3.006 124.324 121.300 0.030 0.000 2.952 508 W HA 0.321 4.982 4.660 0.001 0.000 0.251 508 W C 0.401 176.959 176.519 0.065 0.000 1.144 508 W CA 0.503 57.850 57.345 0.004 0.000 1.551 508 W CB -0.107 29.311 29.460 -0.071 0.000 0.978 508 W HN 0.777 nan 8.180 nan 0.000 0.648 509 H N -0.557 118.496 119.070 -0.028 0.000 3.085 509 H HA 0.550 5.107 4.556 0.001 0.000 0.356 509 H C -1.443 173.888 175.328 0.005 0.000 1.178 509 H CA -0.115 55.856 56.048 -0.127 0.000 1.214 509 H CB 1.688 31.213 29.762 -0.395 0.000 1.881 509 H HN -0.063 nan 8.280 nan 0.000 0.538 510 A N 4.019 126.707 122.820 -0.220 0.000 2.547 510 A HA 0.325 4.646 4.320 0.001 0.000 0.279 510 A C -1.646 175.851 177.584 -0.145 0.000 1.088 510 A CA -0.638 51.416 52.037 0.029 0.000 0.796 510 A CB 0.930 20.013 19.000 0.139 0.000 1.308 510 A HN 0.629 nan 8.150 nan 0.000 0.415 511 D N 3.262 123.645 120.400 -0.028 0.000 2.461 511 D HA 0.181 4.822 4.640 0.001 0.000 0.240 511 D C 1.076 177.344 176.300 -0.053 0.000 1.094 511 D CA -0.372 53.597 54.000 -0.052 0.000 0.868 511 D CB 1.209 42.043 40.800 0.056 0.000 1.062 511 D HN 0.642 nan 8.370 nan 0.000 0.530 512 K N 2.445 122.742 120.400 -0.171 0.000 2.209 512 K HA -0.192 4.129 4.320 0.001 0.000 0.204 512 K C 1.355 177.845 176.600 -0.184 0.000 1.048 512 K CA 0.858 56.948 56.287 -0.329 0.000 0.940 512 K CB 0.259 32.295 32.500 -0.773 0.000 0.729 512 K HN 0.150 nan 8.250 nan 0.000 0.451 513 Q N 1.100 120.828 119.800 -0.120 0.000 2.020 513 Q HA 0.083 4.424 4.340 0.001 0.000 0.198 513 Q C 2.066 178.044 176.000 -0.036 0.000 0.974 513 Q CA 2.069 57.830 55.803 -0.069 0.000 0.829 513 Q CB -0.281 28.422 28.738 -0.057 0.000 0.894 513 Q HN 0.485 nan 8.270 nan 0.000 0.433 514 A N -0.224 122.584 122.820 -0.021 0.000 2.208 514 A HA 0.040 4.361 4.320 0.001 0.000 0.209 514 A C 0.501 178.089 177.584 0.007 0.000 1.161 514 A CA 0.714 52.743 52.037 -0.013 0.000 0.782 514 A CB -0.322 18.675 19.000 -0.006 0.000 0.816 514 A HN 0.567 nan 8.150 nan 0.000 0.477 515 N N -1.752 116.973 118.700 0.041 0.000 2.738 515 N HA -0.155 4.586 4.740 0.001 0.000 0.249 515 N C -0.564 175.055 175.510 0.181 0.000 1.047 515 N CA 0.834 53.958 53.050 0.124 0.000 0.707 515 N CB -1.653 36.877 38.487 0.071 0.000 0.937 515 N HN 0.584 nan 8.380 nan 0.000 0.545 516 L N 1.037 122.363 121.223 0.171 0.000 2.341 516 L HA 0.623 4.963 4.340 0.001 0.000 0.278 516 L C -0.857 176.190 176.870 0.295 0.000 1.005 516 L CA -0.962 53.998 54.840 0.200 0.000 0.818 516 L CB 1.033 43.151 42.059 0.098 0.000 1.259 516 L HN 0.219 nan 8.230 nan 0.000 0.418 517 Y N 4.619 125.038 120.300 0.198 0.000 2.425 517 Y HA 0.792 5.343 4.550 0.001 0.000 0.344 517 Y C -0.875 175.187 175.900 0.271 0.000 0.969 517 Y CA -0.603 57.623 58.100 0.210 0.000 1.052 517 Y CB 1.865 40.440 38.460 0.192 0.000 1.215 517 Y HN 0.715 nan 8.280 nan 0.000 0.451 518 A N 5.816 128.325 122.820 -0.519 0.000 2.475 518 A HA 0.812 5.133 4.320 0.001 0.000 0.301 518 A C -1.914 175.509 177.584 -0.268 0.000 1.059 518 A CA -0.550 51.296 52.037 -0.319 0.000 0.710 518 A CB 0.927 19.740 19.000 -0.313 0.000 1.288 518 A HN 0.860 nan 8.150 nan 0.000 0.408 519 F N -0.385 119.545 119.950 -0.032 0.000 2.643 519 F HA 0.841 5.368 4.527 0.001 0.000 0.314 519 F C -1.291 174.614 175.800 0.175 0.000 1.096 519 F CA -1.316 56.746 58.000 0.104 0.000 0.953 519 F CB 1.290 40.398 39.000 0.181 0.000 1.345 519 F HN 0.362 nan 8.300 nan 0.000 0.468 520 V N 2.387 122.409 119.914 0.180 0.000 2.656 520 V HA 0.616 4.736 4.120 0.001 0.000 0.307 520 V C -0.618 175.554 176.094 0.130 0.000 1.051 520 V CA -0.831 61.440 62.300 -0.049 0.000 0.893 520 V CB 1.847 33.471 31.823 -0.332 0.000 0.999 520 V HN 0.710 nan 8.190 nan 0.000 0.426 521 R N 2.195 122.763 120.500 0.114 0.000 2.346 521 R HA 0.732 5.073 4.340 0.001 0.000 0.311 521 R C -0.587 175.788 176.300 0.124 0.000 0.983 521 R CA -0.406 55.779 56.100 0.142 0.000 0.880 521 R CB 1.722 32.110 30.300 0.145 0.000 1.100 521 R HN 0.736 nan 8.270 nan 0.000 0.453 522 T N 1.105 115.730 114.554 0.119 0.000 2.886 522 T HA 0.417 4.768 4.350 0.001 0.000 0.292 522 T C -1.135 173.619 174.700 0.090 0.000 1.012 522 T CA -0.609 61.593 62.100 0.170 0.000 0.982 522 T CB 2.107 71.112 68.868 0.228 0.000 1.018 522 T HN 0.272 nan 8.240 nan 0.000 0.451 523 V N 4.162 124.116 119.914 0.067 0.000 2.655 523 V HA 0.557 4.678 4.120 0.001 0.000 0.301 523 V C 0.016 176.113 176.094 0.004 0.000 1.082 523 V CA -0.118 62.198 62.300 0.027 0.000 0.899 523 V CB 1.242 33.075 31.823 0.017 0.000 1.014 523 V HN 1.020 nan 8.190 nan 0.000 0.429 524 Q N 4.296 124.094 119.800 -0.003 0.000 1.675 524 Q HA -0.255 4.086 4.340 0.001 0.000 0.365 524 Q C 0.514 176.472 176.000 -0.071 0.000 0.856 524 Q CA 2.517 58.306 55.803 -0.023 0.000 0.832 524 Q CB -1.096 27.632 28.738 -0.017 0.000 3.604 524 Q HN 0.844 nan 8.270 nan 0.000 0.678 525 D N 0.240 120.579 120.400 -0.102 0.000 2.350 525 D HA 0.050 4.691 4.640 0.001 0.000 0.213 525 D C -0.005 176.098 176.300 -0.327 0.000 1.031 525 D CA 0.396 54.270 54.000 -0.208 0.000 0.861 525 D CB 0.001 40.719 40.800 -0.137 0.000 0.926 525 D HN 0.336 nan 8.370 nan 0.000 0.520 526 Q N 0.776 120.479 119.800 -0.162 0.000 2.286 526 Q HA 0.122 4.463 4.340 0.001 0.000 0.257 526 Q C -0.948 175.031 176.000 -0.036 0.000 0.941 526 Q CA 0.078 55.859 55.803 -0.036 0.000 0.912 526 Q CB 0.498 29.320 28.738 0.140 0.000 1.192 526 Q HN 0.226 nan 8.270 nan 0.000 0.410 527 H N 1.638 120.790 119.070 0.137 0.000 2.589 527 H HA 0.520 5.076 4.556 0.001 0.000 0.351 527 H C -1.310 174.124 175.328 0.177 0.000 1.074 527 H CA -1.083 55.023 56.048 0.096 0.000 1.203 527 H CB 1.999 31.790 29.762 0.048 0.000 1.558 527 H HN 0.339 nan 8.280 nan 0.000 0.522 528 V N 3.100 123.149 119.914 0.224 0.000 2.447 528 V HA 0.395 4.516 4.120 0.001 0.000 0.292 528 V C 0.227 176.307 176.094 -0.024 0.000 1.021 528 V CA -0.735 61.663 62.300 0.163 0.000 0.850 528 V CB 1.611 33.516 31.823 0.138 0.000 1.005 528 V HN 0.953 nan 8.190 nan 0.000 0.426 529 G N 3.687 112.436 108.800 -0.085 0.000 2.322 529 G HA2 0.589 4.550 3.960 0.001 0.000 0.309 529 G HA3 0.589 4.550 3.960 0.001 0.000 0.309 529 G C -0.826 174.035 174.900 -0.065 0.000 1.121 529 G CA -0.382 44.620 45.100 -0.164 0.000 0.886 529 G HN 0.515 nan 8.290 nan 0.000 0.447 530 V N 2.713 122.434 119.914 -0.321 0.000 2.398 530 V HA 0.444 4.565 4.120 0.001 0.000 0.286 530 V C -0.177 175.818 176.094 -0.165 0.000 1.026 530 V CA -0.637 61.470 62.300 -0.322 0.000 0.868 530 V CB 1.602 33.016 31.823 -0.682 0.000 0.982 530 V HN 0.520 nan 8.190 nan 0.000 0.443 531 V N 6.520 126.415 119.914 -0.031 0.000 2.444 531 V HA 0.505 4.626 4.120 0.001 0.000 0.294 531 V C -0.406 175.740 176.094 0.086 0.000 1.022 531 V CA -0.491 61.787 62.300 -0.037 0.000 0.850 531 V CB 1.616 33.350 31.823 -0.148 0.000 0.992 531 V HN 0.661 nan 8.190 nan 0.000 0.426 532 L N 4.038 125.371 121.223 0.183 0.000 2.298 532 L HA 0.538 4.878 4.340 0.001 0.000 0.284 532 L C -0.024 176.969 176.870 0.205 0.000 1.013 532 L CA -0.456 54.551 54.840 0.278 0.000 0.824 532 L CB 1.395 43.758 42.059 0.508 0.000 1.221 532 L HN 0.553 nan 8.230 nan 0.000 0.418 533 N N 2.292 121.069 118.700 0.128 0.000 2.719 533 N HA 0.039 4.780 4.740 0.001 0.000 0.243 533 N C -0.042 175.486 175.510 0.030 0.000 1.104 533 N CA -0.131 52.946 53.050 0.044 0.000 0.981 533 N CB 0.263 38.737 38.487 -0.022 0.000 1.290 533 N HN 0.419 nan 8.380 nan 0.000 0.513 534 N N 2.530 121.253 118.700 0.039 0.000 3.303 534 N HA 0.148 4.889 4.740 0.001 0.000 0.304 534 N C -1.004 174.417 175.510 -0.149 0.000 1.302 534 N CA -0.024 53.005 53.050 -0.035 0.000 1.213 534 N CB -0.242 37.992 38.487 -0.423 0.000 1.481 534 N HN 0.500 nan 8.380 nan 0.000 0.546 535 R N -1.034 119.244 120.500 -0.371 0.000 2.643 535 R HA 0.406 4.747 4.340 0.001 0.000 0.269 535 R C 0.223 175.943 176.300 -0.967 0.000 1.037 535 R CA -0.785 55.038 56.100 -0.463 0.000 0.894 535 R CB 0.872 31.030 30.300 -0.236 0.000 1.238 535 R HN 0.229 nan 8.270 nan 0.000 0.459 536 G N 1.925 110.281 108.800 -0.741 0.000 3.340 536 G HA2 0.090 4.051 3.960 0.001 0.000 0.240 536 G HA3 0.090 4.051 3.960 0.001 0.000 0.240 536 G C -0.373 174.351 174.900 -0.293 0.000 1.327 536 G CA 0.349 45.095 45.100 -0.590 0.000 1.170 536 G HN 0.510 nan 8.290 nan 0.000 0.520 537 E N -0.494 119.531 120.200 -0.292 0.000 2.366 537 E HA 0.192 4.543 4.350 0.001 0.000 0.278 537 E C -0.862 175.652 176.600 -0.144 0.000 0.923 537 E CA -0.925 55.377 56.400 -0.163 0.000 0.761 537 E CB 2.125 31.756 29.700 -0.115 0.000 1.231 537 E HN 0.082 nan 8.360 nan 0.000 0.443 538 K N 2.382 122.724 120.400 -0.095 0.000 2.412 538 K HA 0.048 4.369 4.320 0.001 0.000 0.281 538 K C -0.679 175.878 176.600 -0.072 0.000 1.027 538 K CA 0.682 56.924 56.287 -0.075 0.000 0.989 538 K CB 0.505 32.976 32.500 -0.050 0.000 0.935 538 K HN 0.387 nan 8.250 nan 0.000 0.475 539 Q N 1.988 121.745 119.800 -0.072 0.000 2.456 539 Q HA 0.328 4.669 4.340 0.001 0.000 0.283 539 Q C -1.247 174.712 176.000 -0.068 0.000 1.084 539 Q CA -1.064 54.699 55.803 -0.067 0.000 0.801 539 Q CB 2.523 31.217 28.738 -0.072 0.000 1.434 539 Q HN 0.516 nan 8.270 nan 0.000 0.419 540 T N 1.067 115.582 114.554 -0.066 0.000 2.829 540 T HA 0.638 4.989 4.350 0.001 0.000 0.280 540 T C -0.573 174.069 174.700 -0.097 0.000 0.999 540 T CA -0.652 61.402 62.100 -0.076 0.000 0.983 540 T CB 1.320 70.153 68.868 -0.057 0.000 0.968 540 T HN 0.465 nan 8.240 nan 0.000 0.446 541 V N 0.896 120.723 119.914 -0.144 0.000 3.007 541 V HA 0.733 4.854 4.120 0.001 0.000 0.311 541 V C -1.323 174.623 176.094 -0.246 0.000 1.120 541 V CA -1.294 60.883 62.300 -0.206 0.000 0.980 541 V CB 1.857 33.490 31.823 -0.317 0.000 1.033 541 V HN 0.791 nan 8.190 nan 0.000 0.429 542 L N 3.901 124.978 121.223 -0.243 0.000 2.295 542 L HA 0.576 4.917 4.340 0.001 0.000 0.281 542 L C -0.564 176.128 176.870 -0.297 0.000 1.018 542 L CA -0.326 54.393 54.840 -0.202 0.000 0.841 542 L CB 1.389 43.396 42.059 -0.087 0.000 1.218 542 L HN 0.524 nan 8.230 nan 0.000 0.424 543 L N 3.065 124.060 121.223 -0.380 0.000 2.343 543 L HA 0.418 4.759 4.340 0.001 0.000 0.275 543 L C 0.020 176.840 176.870 -0.084 0.000 1.056 543 L CA -0.955 53.618 54.840 -0.445 0.000 0.804 543 L CB 1.196 42.702 42.059 -0.922 0.000 1.203 543 L HN 0.495 nan 8.230 nan 0.000 0.440 544 Q N 2.796 122.651 119.800 0.091 0.000 2.286 544 Q HA 0.349 4.689 4.340 0.001 0.000 0.257 544 Q C -0.501 175.701 176.000 0.336 0.000 0.941 544 Q CA -0.211 55.712 55.803 0.200 0.000 0.912 544 Q CB 1.872 30.726 28.738 0.195 0.000 1.192 544 Q HN 0.511 nan 8.270 nan 0.000 0.410 545 V N 0.124 120.180 119.914 0.238 0.000 2.595 545 V HA 0.387 4.508 4.120 0.001 0.000 0.269 545 V C -2.542 173.685 176.094 0.221 0.000 0.982 545 V CA -2.055 60.394 62.300 0.248 0.000 0.873 545 V CB 1.419 33.418 31.823 0.293 0.000 1.051 545 V HN 0.552 nan 8.190 nan 0.000 0.466 546 P HA 0.218 nan 4.420 nan 0.000 0.268 546 P C 0.793 178.172 177.300 0.131 0.000 1.204 546 P CA 0.220 63.394 63.100 0.123 0.000 0.768 546 P CB 1.332 33.084 31.700 0.086 0.000 0.842 547 E N 1.536 121.798 120.200 0.104 0.000 2.284 547 E HA -0.215 4.136 4.350 0.001 0.000 0.200 547 E C 1.903 178.532 176.600 0.048 0.000 1.008 547 E CA 1.868 58.311 56.400 0.071 0.000 0.829 547 E CB -0.155 29.571 29.700 0.043 0.000 0.744 547 E HN 0.601 nan 8.360 nan 0.000 0.491 548 S N 0.013 115.749 115.700 0.060 0.000 2.368 548 S HA -0.117 4.354 4.470 0.001 0.000 0.225 548 S C 2.090 176.739 174.600 0.082 0.000 1.030 548 S CA 1.091 59.324 58.200 0.055 0.000 0.999 548 S CB -0.513 62.724 63.200 0.061 0.000 0.844 548 S HN 0.307 nan 8.310 nan 0.000 0.459 549 G N 0.633 109.511 108.800 0.130 0.000 2.920 549 G HA2 0.493 4.454 3.960 0.001 0.000 0.208 549 G HA3 0.493 4.454 3.960 0.001 0.000 0.208 549 G C 0.652 175.661 174.900 0.181 0.000 1.159 549 G CA 0.032 45.276 45.100 0.240 0.000 0.784 549 G HN 1.240 nan 8.290 nan 0.000 0.535 550 G N -0.129 108.683 108.800 0.019 0.000 2.440 550 G HA2 0.100 4.060 3.960 0.001 0.000 0.684 550 G HA3 0.100 4.060 3.960 0.001 0.000 0.684 550 G C 0.130 174.793 174.900 -0.395 0.000 1.309 550 G CA -0.074 44.872 45.100 -0.256 0.000 0.931 550 G HN 0.571 nan 8.290 nan 0.000 0.612 551 K N -1.578 118.434 120.400 -0.647 0.000 2.517 551 K HA 0.394 4.714 4.320 0.001 0.000 0.210 551 K C 0.216 176.402 176.600 -0.691 0.000 1.166 551 K CA 0.159 56.149 56.287 -0.494 0.000 1.030 551 K CB 1.373 33.786 32.500 -0.144 0.000 0.974 551 K HN 0.489 nan 8.250 nan 0.000 0.585 552 T N 1.296 115.208 114.554 -1.070 0.000 2.886 552 T HA 0.444 4.795 4.350 0.001 0.000 0.292 552 T C -1.534 172.624 174.700 -0.903 0.000 1.012 552 T CA -0.611 61.096 62.100 -0.655 0.000 0.982 552 T CB 1.477 70.173 68.868 -0.287 0.000 1.018 552 T HN 0.153 nan 8.240 nan 0.000 0.451 553 W N 1.950 123.184 121.300 -0.111 0.000 3.031 553 W HA 0.698 5.359 4.660 0.001 0.000 0.337 553 W C -1.320 175.157 176.519 -0.071 0.000 1.187 553 W CA -0.871 56.422 57.345 -0.086 0.000 1.166 553 W CB 2.014 31.465 29.460 -0.015 0.000 1.437 553 W HN 0.369 nan 8.180 nan 0.000 0.551 554 L N 2.182 123.542 121.223 0.229 0.000 2.362 554 L HA 0.313 4.654 4.340 0.001 0.000 0.275 554 L C -0.368 176.638 176.870 0.225 0.000 0.998 554 L CA -0.103 54.849 54.840 0.186 0.000 0.820 554 L CB 1.251 43.428 42.059 0.198 0.000 1.270 554 L HN 0.198 nan 8.230 nan 0.000 0.415 555 D N 3.342 123.836 120.400 0.156 0.000 2.374 555 D HA 0.085 4.726 4.640 0.001 0.000 0.240 555 D C 0.859 177.235 176.300 0.127 0.000 1.229 555 D CA -0.079 54.001 54.000 0.133 0.000 0.895 555 D CB 0.853 41.709 40.800 0.093 0.000 1.046 555 D HN 0.706 nan 8.370 nan 0.000 0.498 556 C N 3.471 122.851 119.300 0.135 0.000 2.413 556 C HA -0.075 4.386 4.460 0.001 0.000 0.292 556 C C 2.525 177.553 174.990 0.062 0.000 1.435 556 C CA 0.133 59.208 59.018 0.094 0.000 1.791 556 C CB -1.003 26.768 27.740 0.052 0.000 1.784 556 C HN 0.672 nan 8.230 nan 0.000 0.548 557 L N 0.411 121.678 121.223 0.074 0.000 2.249 557 L HA -0.003 4.338 4.340 0.001 0.000 0.207 557 L C 2.630 179.550 176.870 0.084 0.000 1.090 557 L CA 1.798 56.686 54.840 0.080 0.000 0.802 557 L CB -0.352 41.772 42.059 0.108 0.000 0.947 557 L HN 0.496 nan 8.230 nan 0.000 0.453 558 T N -5.776 108.826 114.554 0.080 0.000 2.959 558 T HA 0.276 4.626 4.350 0.001 0.000 0.254 558 T C 1.401 176.142 174.700 0.068 0.000 1.003 558 T CA 0.541 62.685 62.100 0.072 0.000 0.950 558 T CB 1.060 69.968 68.868 0.067 0.000 1.090 558 T HN 0.299 nan 8.240 nan 0.000 0.503 559 G N 1.605 110.451 108.800 0.077 0.000 2.176 559 G HA2 -0.262 3.698 3.960 0.001 0.000 0.253 559 G HA3 -0.262 3.698 3.960 0.001 0.000 0.253 559 G C -0.158 174.783 174.900 0.070 0.000 0.979 559 G CA 0.255 45.401 45.100 0.077 0.000 0.641 559 G HN 0.894 nan 8.290 nan 0.000 0.530 560 E N 0.783 121.022 120.200 0.064 0.000 2.384 560 E HA 0.350 4.701 4.350 0.001 0.000 0.266 560 E C -0.024 176.599 176.600 0.039 0.000 1.012 560 E CA -0.194 56.236 56.400 0.050 0.000 0.901 560 E CB 0.323 30.049 29.700 0.045 0.000 0.967 560 E HN 0.425 nan 8.360 nan 0.000 0.435 561 E N 3.540 123.744 120.200 0.007 0.000 2.156 561 E HA 0.259 4.610 4.350 0.001 0.000 0.279 561 E C -0.925 175.540 176.600 -0.226 0.000 0.965 561 E CA -0.795 55.559 56.400 -0.076 0.000 0.789 561 E CB 1.342 31.011 29.700 -0.052 0.000 1.098 561 E HN 0.395 nan 8.360 nan 0.000 0.397 562 V N 2.026 121.807 119.914 -0.223 0.000 2.667 562 V HA 0.572 4.693 4.120 0.001 0.000 0.308 562 V C -0.737 175.187 176.094 -0.284 0.000 1.048 562 V CA -0.707 61.479 62.300 -0.190 0.000 0.928 562 V CB 1.764 33.624 31.823 0.061 0.000 1.004 562 V HN 0.643 nan 8.190 nan 0.000 0.444 563 H N 2.388 121.595 119.070 0.228 0.000 2.637 563 H HA 0.665 5.221 4.556 0.001 0.000 0.363 563 H C 0.175 175.671 175.328 0.279 0.000 1.131 563 H CA -0.053 56.124 56.048 0.215 0.000 1.183 563 H CB 2.325 32.144 29.762 0.096 0.000 1.637 563 H HN 1.102 nan 8.280 nan 0.000 0.531 564 G N 2.067 111.154 108.800 0.478 0.000 2.377 564 G HA2 0.348 4.308 3.960 0.001 0.000 0.299 564 G HA3 0.348 4.308 3.960 0.001 0.000 0.299 564 G C -0.268 174.770 174.900 0.231 0.000 1.150 564 G CA -0.770 44.570 45.100 0.400 0.000 0.847 564 G HN 0.490 nan 8.290 nan 0.000 0.501 565 K N 2.122 122.621 120.400 0.164 0.000 2.307 565 K HA 0.318 4.639 4.320 0.001 0.000 0.263 565 K C -0.132 176.524 176.600 0.092 0.000 0.973 565 K CA -0.676 55.675 56.287 0.107 0.000 0.846 565 K CB 1.605 34.153 32.500 0.080 0.000 1.100 565 K HN 0.700 nan 8.250 nan 0.000 0.438 566 Q N 1.502 121.350 119.800 0.079 0.000 2.439 566 Q HA -0.232 4.109 4.340 0.001 0.000 0.325 566 Q C 0.513 176.563 176.000 0.084 0.000 1.372 566 Q CA 0.858 56.702 55.803 0.068 0.000 0.909 566 Q CB -2.044 26.725 28.738 0.051 0.000 1.167 566 Q HN 1.258 nan 8.270 nan 0.000 0.418 567 G N -0.533 108.334 108.800 0.112 0.000 2.166 567 G HA2 -0.343 3.617 3.960 0.001 0.000 0.260 567 G HA3 -0.343 3.617 3.960 0.001 0.000 0.260 567 G C -0.058 174.924 174.900 0.136 0.000 0.986 567 G CA 0.809 45.988 45.100 0.131 0.000 0.683 567 G HN 0.448 nan 8.290 nan 0.000 0.527 568 Q N -1.321 118.555 119.800 0.126 0.000 2.394 568 Q HA 0.738 5.079 4.340 0.001 0.000 0.273 568 Q C -1.189 174.867 176.000 0.093 0.000 1.089 568 Q CA -1.052 54.806 55.803 0.091 0.000 0.812 568 Q CB 2.525 31.296 28.738 0.055 0.000 1.353 568 Q HN 0.312 nan 8.270 nan 0.000 0.438 569 L N 2.129 123.366 121.223 0.023 0.000 2.372 569 L HA 0.414 4.755 4.340 0.001 0.000 0.273 569 L C -1.235 175.580 176.870 -0.092 0.000 0.989 569 L CA -0.221 54.609 54.840 -0.017 0.000 0.841 569 L CB 1.401 43.389 42.059 -0.118 0.000 1.225 569 L HN 0.443 nan 8.230 nan 0.000 0.414 570 K N 4.643 125.016 120.400 -0.044 0.000 2.248 570 K HA 0.603 4.924 4.320 0.001 0.000 0.281 570 K C -1.563 174.989 176.600 -0.079 0.000 1.054 570 K CA -0.488 55.758 56.287 -0.068 0.000 0.903 570 K CB 0.706 33.191 32.500 -0.025 0.000 1.077 570 K HN 0.567 nan 8.250 nan 0.000 0.474 571 L N 3.086 124.233 121.223 -0.126 0.000 2.401 571 L HA 0.396 4.737 4.340 0.001 0.000 0.266 571 L C -0.778 176.032 176.870 -0.100 0.000 0.991 571 L CA -0.274 54.497 54.840 -0.115 0.000 0.818 571 L CB 2.434 44.389 42.059 -0.172 0.000 1.321 571 L HN 0.612 nan 8.230 nan 0.000 0.413 572 T N 4.334 118.848 114.554 -0.066 0.000 2.833 572 T HA 0.571 4.922 4.350 0.001 0.000 0.297 572 T C -0.597 174.075 174.700 -0.047 0.000 1.015 572 T CA -0.441 61.626 62.100 -0.056 0.000 0.963 572 T CB 0.649 69.496 68.868 -0.036 0.000 0.955 572 T HN 0.118 nan 8.240 nan 0.000 0.449 573 L N 3.149 124.338 121.223 -0.055 0.000 2.322 573 L HA 0.553 4.894 4.340 0.001 0.000 0.279 573 L C 0.895 177.740 176.870 -0.042 0.000 1.036 573 L CA -0.641 54.174 54.840 -0.041 0.000 0.807 573 L CB 1.547 43.580 42.059 -0.043 0.000 1.226 573 L HN 0.501 nan 8.230 nan 0.000 0.433 574 R N 2.206 122.691 120.500 -0.025 0.000 2.649 574 R HA 0.268 4.609 4.340 0.001 0.000 0.270 574 R C -2.158 174.109 176.300 -0.054 0.000 1.105 574 R CA -1.511 54.571 56.100 -0.030 0.000 1.193 574 R CB 0.064 30.361 30.300 -0.005 0.000 1.120 574 R HN 0.357 nan 8.270 nan 0.000 0.561 575 P HA -0.102 nan 4.420 nan 0.000 0.261 575 P C -1.037 176.218 177.300 -0.075 0.000 1.183 575 P CA 0.851 63.838 63.100 -0.189 0.000 0.761 575 P CB 0.000 31.624 31.700 -0.127 0.000 0.785 576 Y N -0.656 119.643 120.300 -0.002 0.000 3.721 576 Y HA -0.290 4.260 4.550 0.001 0.000 0.218 576 Y C 0.957 176.871 175.900 0.024 0.000 1.188 576 Y CA 0.287 58.394 58.100 0.011 0.000 1.607 576 Y CB -1.902 36.558 38.460 0.001 0.000 1.496 576 Y HN 0.453 nan 8.280 nan 0.000 0.626 577 Q N 1.008 120.870 119.800 0.103 0.000 2.259 577 Q HA 0.584 4.925 4.340 0.001 0.000 0.246 577 Q C 0.460 176.528 176.000 0.113 0.000 0.920 577 Q CA 0.114 55.972 55.803 0.091 0.000 0.895 577 Q CB 1.393 30.160 28.738 0.047 0.000 1.220 577 Q HN 0.378 nan 8.270 nan 0.000 0.439 578 G N 3.143 112.021 108.800 0.130 0.000 2.566 578 G HA2 0.616 4.577 3.960 0.001 0.000 0.311 578 G HA3 0.616 4.577 3.960 0.001 0.000 0.311 578 G C -1.121 173.849 174.900 0.117 0.000 1.322 578 G CA -0.665 44.525 45.100 0.149 0.000 0.969 578 G HN 0.589 nan 8.290 nan 0.000 0.490 579 M N 1.516 121.167 119.600 0.085 0.000 2.456 579 M HA 0.503 4.983 4.480 0.001 0.000 0.324 579 M C -0.798 175.537 176.300 0.059 0.000 1.124 579 M CA -0.546 54.793 55.300 0.064 0.000 0.959 579 M CB 2.839 35.456 32.600 0.029 0.000 1.692 579 M HN 0.252 nan 8.290 nan 0.000 0.444 580 I N 4.424 125.036 120.570 0.069 0.000 2.464 580 I HA 0.260 4.430 4.170 0.001 0.000 0.277 580 I C -1.150 175.035 176.117 0.113 0.000 1.040 580 I CA -0.653 60.685 61.300 0.062 0.000 1.153 580 I CB 0.901 38.930 38.000 0.048 0.000 1.274 580 I HN 0.362 nan 8.210 nan 0.000 0.469 581 L N 5.122 126.419 121.223 0.123 0.000 2.260 581 L HA 0.256 4.597 4.340 0.001 0.000 0.289 581 L C -0.504 176.573 176.870 0.344 0.000 1.057 581 L CA -0.121 54.844 54.840 0.209 0.000 0.811 581 L CB 0.615 42.736 42.059 0.103 0.000 1.184 581 L HN 0.571 nan 8.230 nan 0.000 0.429 582 W N 5.610 127.022 121.300 0.185 0.000 2.361 582 W HA 0.259 4.919 4.660 0.001 0.000 0.309 582 W C 1.276 177.936 176.519 0.234 0.000 1.122 582 W CA -0.947 56.500 57.345 0.169 0.000 1.208 582 W CB 0.761 30.271 29.460 0.083 0.000 1.246 582 W HN 0.675 nan 8.180 nan 0.000 0.490 583 N N 3.898 122.588 118.700 -0.016 0.000 2.575 583 N HA -0.007 4.734 4.740 0.001 0.000 0.192 583 N C 1.281 176.283 175.510 -0.847 0.000 1.200 583 N CA 0.971 53.814 53.050 -0.345 0.000 0.897 583 N CB -0.371 38.074 38.487 -0.070 0.000 0.990 583 N HN 0.970 nan 8.380 nan 0.000 0.449 584 G N -0.431 107.279 108.800 -1.817 0.000 2.162 584 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 584 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 584 G C 0.189 174.428 174.900 -1.102 0.000 0.976 584 G CA 0.311 44.174 45.100 -2.062 0.000 0.655 584 G HN 0.465 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.139 120.500 -0.602 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.044 56.100 -0.093 0.000 0.921 585 R CB 0.000 30.197 30.300 -0.171 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535