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 1r0m_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.494 176.300 0.323 0.000 0.893 6 R CA 0.000 56.228 56.100 0.214 0.000 0.921 6 R CB 0.000 30.373 30.300 0.122 0.000 0.687 7 M N 1.949 121.663 119.600 0.190 0.000 2.198 7 M HA 0.365 4.844 4.480 -0.001 0.000 0.315 7 M C -0.569 175.867 176.300 0.228 0.000 1.134 7 M CA 0.063 55.439 55.300 0.125 0.000 1.171 7 M CB 0.222 32.790 32.600 -0.053 0.000 1.413 7 M HN 0.391 nan 8.290 nan 0.000 0.467 8 F N -0.594 119.433 119.950 0.129 0.000 2.540 8 F HA 0.674 5.200 4.527 -0.001 0.000 0.317 8 F C -0.774 175.105 175.800 0.132 0.000 1.104 8 F CA -1.241 56.847 58.000 0.147 0.000 0.913 8 F CB 0.918 40.043 39.000 0.207 0.000 1.170 8 F HN 0.392 nan 8.300 nan 0.000 0.450 9 K N 4.554 125.084 120.400 0.216 0.000 2.213 9 K HA 0.555 4.874 4.320 -0.001 0.000 0.270 9 K C -1.038 175.714 176.600 0.253 0.000 1.002 9 K CA -0.588 55.780 56.287 0.135 0.000 0.868 9 K CB 0.964 33.504 32.500 0.068 0.000 1.093 9 K HN 0.886 nan 8.250 nan 0.000 0.454 10 I N 5.243 125.982 120.570 0.281 0.000 2.308 10 I HA 0.042 4.211 4.170 -0.001 0.000 0.293 10 I C 0.769 177.002 176.117 0.194 0.000 1.078 10 I CA 0.041 61.509 61.300 0.279 0.000 1.292 10 I CB 1.059 39.246 38.000 0.312 0.000 1.423 10 I HN 0.772 nan 8.210 nan 0.000 0.493 11 E N 4.860 125.167 120.200 0.179 0.000 2.216 11 E HA 0.296 4.645 4.350 -0.001 0.000 0.192 11 E C 0.419 177.098 176.600 0.132 0.000 0.973 11 E CA 0.078 56.558 56.400 0.133 0.000 0.851 11 E CB 0.540 30.308 29.700 0.113 0.000 0.804 11 E HN 0.707 nan 8.360 nan 0.000 0.477 12 A N 0.655 123.583 122.820 0.180 0.000 2.606 12 A HA 0.781 5.100 4.320 -0.001 0.000 0.293 12 A C -1.678 176.067 177.584 0.268 0.000 1.082 12 A CA -0.311 51.836 52.037 0.183 0.000 0.685 12 A CB 1.746 20.804 19.000 0.096 0.000 1.284 12 A HN 0.087 nan 8.150 nan 0.000 0.408 13 A N 0.544 123.516 122.820 0.253 0.000 2.486 13 A HA 0.786 5.105 4.320 -0.001 0.000 0.300 13 A C -0.985 176.751 177.584 0.252 0.000 1.048 13 A CA -0.419 51.763 52.037 0.241 0.000 0.696 13 A CB 1.242 20.339 19.000 0.163 0.000 1.278 13 A HN 0.742 nan 8.150 nan 0.000 0.405 14 E N 0.993 121.323 120.200 0.216 0.000 2.222 14 E HA 0.577 4.926 4.350 -0.001 0.000 0.267 14 E C -1.310 175.368 176.600 0.129 0.000 0.884 14 E CA -0.467 56.040 56.400 0.177 0.000 0.764 14 E CB 2.457 32.258 29.700 0.169 0.000 1.169 14 E HN 0.563 nan 8.360 nan 0.000 0.413 15 I N 2.678 123.325 120.570 0.128 0.000 2.362 15 I HA 0.299 4.468 4.170 -0.001 0.000 0.289 15 I C -0.866 175.282 176.117 0.052 0.000 0.994 15 I CA -0.917 60.430 61.300 0.078 0.000 1.158 15 I CB 1.502 39.551 38.000 0.081 0.000 1.315 15 I HN 0.167 nan 8.210 nan 0.000 0.451 16 V N 7.232 127.162 119.914 0.028 0.000 2.444 16 V HA 0.365 4.485 4.120 -0.001 0.000 0.294 16 V C -0.176 175.913 176.094 -0.009 0.000 1.022 16 V CA -0.714 61.590 62.300 0.007 0.000 0.850 16 V CB 2.076 33.900 31.823 0.000 0.000 0.992 16 V HN 0.371 nan 8.190 nan 0.000 0.426 17 V N 4.429 124.334 119.914 -0.015 0.000 2.328 17 V HA 0.759 4.878 4.120 -0.001 0.000 0.278 17 V C 0.527 176.598 176.094 -0.038 0.000 1.021 17 V CA -0.360 61.926 62.300 -0.022 0.000 0.838 17 V CB 1.367 33.181 31.823 -0.015 0.000 0.999 17 V HN 0.980 nan 8.190 nan 0.000 0.447 18 A N 5.348 128.139 122.820 -0.049 0.000 2.306 18 A HA 0.795 5.114 4.320 -0.001 0.000 0.330 18 A C 0.089 177.650 177.584 -0.039 0.000 1.146 18 A CA -0.744 51.251 52.037 -0.070 0.000 0.827 18 A CB 0.965 19.899 19.000 -0.110 0.000 1.178 18 A HN 0.718 nan 8.150 nan 0.000 0.490 19 R N 2.414 122.896 120.500 -0.030 0.000 2.312 19 R HA 0.377 4.716 4.340 -0.001 0.000 0.310 19 R C -1.920 174.464 176.300 0.141 0.000 1.064 19 R CA -0.519 55.603 56.100 0.038 0.000 0.983 19 R CB 0.432 30.709 30.300 -0.040 0.000 1.139 19 R HN 0.596 nan 8.270 nan 0.000 0.536 20 L N 6.586 127.905 121.223 0.160 0.000 2.264 20 L HA 0.482 4.821 4.340 -0.001 0.000 0.289 20 L C -2.381 174.683 176.870 0.322 0.000 1.044 20 L CA -2.207 52.713 54.840 0.132 0.000 0.807 20 L CB 1.364 43.309 42.059 -0.191 0.000 1.192 20 L HN 0.440 nan 8.230 nan 0.000 0.425 21 P HA 0.104 nan 4.420 nan 0.000 0.267 21 P C -0.507 176.947 177.300 0.256 0.000 1.209 21 P CA 0.134 63.221 63.100 -0.022 0.000 0.763 21 P CB 0.454 32.150 31.700 -0.007 0.000 0.816 22 L N 2.723 124.014 121.223 0.113 0.000 2.479 22 L HA 0.321 4.660 4.340 -0.001 0.000 0.248 22 L C 1.211 178.093 176.870 0.019 0.000 1.205 22 L CA -0.271 54.615 54.840 0.076 0.000 0.817 22 L CB 0.246 42.273 42.059 -0.053 0.000 1.162 22 L HN 0.313 nan 8.230 nan 0.000 0.486 35 H N 0.539 119.670 119.070 0.102 0.000 2.894 35 H HA 0.744 5.300 4.556 -0.001 0.000 0.368 35 H C -1.233 174.192 175.328 0.161 0.000 1.181 35 H CA -0.852 55.286 56.048 0.151 0.000 1.146 35 H CB 2.683 32.511 29.762 0.110 0.000 1.839 35 H HN 0.169 nan 8.280 nan 0.000 0.557 36 K N 1.415 122.034 120.400 0.364 0.000 2.316 36 K HA 0.369 4.688 4.320 -0.001 0.000 0.251 36 K C -1.151 175.575 176.600 0.209 0.000 0.934 36 K CA -0.672 55.785 56.287 0.283 0.000 0.802 36 K CB 2.089 34.820 32.500 0.385 0.000 1.171 36 K HN 0.253 nan 8.250 nan 0.000 0.426 37 V N 3.967 123.958 119.914 0.128 0.000 2.488 37 V HA 0.168 4.287 4.120 -0.001 0.000 0.277 37 V C -0.419 175.706 176.094 0.053 0.000 1.046 37 V CA -0.506 61.836 62.300 0.069 0.000 0.986 37 V CB 1.230 33.077 31.823 0.040 0.000 0.989 37 V HN 0.476 nan 8.190 nan 0.000 0.475 38 V N 8.181 128.104 119.914 0.015 0.000 2.325 38 V HA 0.349 4.469 4.120 -0.001 0.000 0.280 38 V C -2.406 173.675 176.094 -0.021 0.000 1.016 38 V CA -1.735 60.558 62.300 -0.012 0.000 0.818 38 V CB 1.679 33.458 31.823 -0.074 0.000 1.019 38 V HN 0.753 nan 8.190 nan 0.000 0.434 39 P HA 0.470 nan 4.420 nan 0.000 0.287 39 P C -0.907 176.385 177.300 -0.014 0.000 1.281 39 P CA -0.187 62.905 63.100 -0.012 0.000 0.781 39 P CB 1.071 32.766 31.700 -0.008 0.000 0.903 40 L N 3.514 124.731 121.223 -0.010 0.000 2.346 40 L HA 0.571 4.910 4.340 -0.001 0.000 0.274 40 L C -0.206 176.668 176.870 0.007 0.000 1.007 40 L CA -1.170 53.667 54.840 -0.005 0.000 0.818 40 L CB 1.944 43.998 42.059 -0.007 0.000 1.284 40 L HN 0.212 nan 8.230 nan 0.000 0.424 41 L N 4.071 125.300 121.223 0.009 0.000 2.313 41 L HA 0.614 4.954 4.340 -0.001 0.000 0.283 41 L C -0.845 176.031 176.870 0.009 0.000 1.013 41 L CA 0.027 54.877 54.840 0.017 0.000 0.816 41 L CB 1.408 43.476 42.059 0.015 0.000 1.236 41 L HN 0.379 nan 8.230 nan 0.000 0.419 42 I N 6.167 126.740 120.570 0.004 0.000 2.389 42 I HA 0.382 4.552 4.170 -0.001 0.000 0.288 42 I C -0.780 175.274 176.117 -0.105 0.000 0.999 42 I CA -0.503 60.754 61.300 -0.072 0.000 1.129 42 I CB 1.499 39.451 38.000 -0.081 0.000 1.288 42 I HN 0.435 nan 8.210 nan 0.000 0.444 43 L N 5.884 127.018 121.223 -0.148 0.000 2.317 43 L HA 0.527 4.866 4.340 -0.001 0.000 0.281 43 L C -0.448 176.296 176.870 -0.210 0.000 1.024 43 L CA -0.698 54.095 54.840 -0.079 0.000 0.810 43 L CB 1.202 43.264 42.059 0.004 0.000 1.240 43 L HN 0.521 nan 8.230 nan 0.000 0.427 44 H N 1.895 121.013 119.070 0.079 0.000 2.489 44 H HA 0.710 5.266 4.556 -0.001 0.000 0.343 44 H C -0.214 175.173 175.328 0.098 0.000 1.086 44 H CA -0.535 55.557 56.048 0.073 0.000 1.198 44 H CB 2.335 32.134 29.762 0.063 0.000 1.490 44 H HN 0.784 nan 8.280 nan 0.000 0.504 45 G N 1.144 110.063 108.800 0.200 0.000 2.616 45 G HA2 0.209 4.168 3.960 -0.001 0.000 0.294 45 G HA3 0.209 4.168 3.960 -0.001 0.000 0.294 45 G C -0.758 174.231 174.900 0.149 0.000 1.489 45 G CA -0.838 44.376 45.100 0.190 0.000 0.836 45 G HN 0.454 nan 8.290 nan 0.000 0.527 46 E N -0.804 119.480 120.200 0.140 0.000 2.586 46 E HA -0.268 4.082 4.350 -0.001 0.000 0.259 46 E C 1.461 178.107 176.600 0.078 0.000 1.107 46 E CA 2.004 58.472 56.400 0.113 0.000 0.754 46 E CB -1.585 28.199 29.700 0.139 0.000 1.335 46 E HN 2.571 nan 8.360 nan 0.000 0.411 47 G N -1.764 107.084 108.800 0.080 0.000 2.162 47 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.260 47 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.260 47 G C 0.487 175.423 174.900 0.061 0.000 0.976 47 G CA 1.179 46.318 45.100 0.065 0.000 0.655 47 G HN 1.054 nan 8.290 nan 0.000 0.533 48 V N -3.114 116.837 119.914 0.061 0.000 3.164 48 V HA 0.983 5.102 4.120 -0.001 0.000 0.313 48 V C -0.398 175.715 176.094 0.030 0.000 1.188 48 V CA -0.253 62.066 62.300 0.032 0.000 1.058 48 V CB 1.821 33.636 31.823 -0.013 0.000 1.110 48 V HN 1.095 nan 8.190 nan 0.000 0.453 49 Q N 0.457 120.241 119.800 -0.027 0.000 2.389 49 Q HA 0.806 5.145 4.340 -0.001 0.000 0.277 49 Q C -0.629 175.310 176.000 -0.100 0.000 1.082 49 Q CA -0.609 55.122 55.803 -0.120 0.000 0.810 49 Q CB 2.301 30.915 28.738 -0.208 0.000 1.374 49 Q HN 1.303 nan 8.270 nan 0.000 0.422 50 G N 0.812 109.546 108.800 -0.110 0.000 2.452 50 G HA2 0.610 4.570 3.960 -0.001 0.000 0.324 50 G HA3 0.610 4.570 3.960 -0.001 0.000 0.324 50 G C -1.183 173.704 174.900 -0.022 0.000 1.214 50 G CA -0.695 44.381 45.100 -0.039 0.000 0.947 50 G HN 0.430 nan 8.290 nan 0.000 0.478 51 V N 0.435 120.381 119.914 0.054 0.000 2.656 51 V HA 0.878 4.997 4.120 -0.001 0.000 0.307 51 V C 0.166 176.374 176.094 0.190 0.000 1.051 51 V CA -0.628 61.715 62.300 0.072 0.000 0.893 51 V CB 1.300 33.153 31.823 0.049 0.000 0.999 51 V HN 1.255 nan 8.190 nan 0.000 0.426 52 A N 3.010 125.882 122.820 0.086 0.000 2.527 52 A HA 0.898 5.217 4.320 -0.001 0.000 0.293 52 A C -1.013 176.557 177.584 -0.024 0.000 1.117 52 A CA -0.647 51.386 52.037 -0.006 0.000 0.723 52 A CB 2.011 20.938 19.000 -0.121 0.000 1.313 52 A HN 0.860 nan 8.150 nan 0.000 0.411 53 E N 0.771 120.932 120.200 -0.064 0.000 2.199 53 E HA 0.532 4.881 4.350 -0.001 0.000 0.265 53 E C 0.123 176.691 176.600 -0.053 0.000 0.882 53 E CA -0.630 55.748 56.400 -0.037 0.000 0.759 53 E CB 1.533 31.225 29.700 -0.014 0.000 1.148 53 E HN 0.953 nan 8.360 nan 0.000 0.412 54 G N 1.634 110.415 108.800 -0.033 0.000 2.432 54 G HA2 0.177 4.136 3.960 -0.001 0.000 0.257 54 G HA3 0.177 4.136 3.960 -0.001 0.000 0.257 54 G C 0.634 175.519 174.900 -0.024 0.000 1.238 54 G CA 0.011 45.094 45.100 -0.028 0.000 0.838 54 G HN 0.608 nan 8.290 nan 0.000 0.547 55 T N 0.289 114.826 114.554 -0.029 0.000 3.092 55 T HA 0.217 4.566 4.350 -0.001 0.000 0.258 55 T C 1.058 175.748 174.700 -0.016 0.000 1.031 55 T CA -0.436 61.643 62.100 -0.035 0.000 0.925 55 T CB -0.100 68.727 68.868 -0.068 0.000 1.036 55 T HN 0.512 nan 8.240 nan 0.000 0.544 56 M N 1.177 120.777 119.600 0.000 0.000 2.255 56 M HA 0.590 5.069 4.480 -0.001 0.000 0.336 56 M C -0.642 175.663 176.300 0.008 0.000 1.135 56 M CA -0.221 55.086 55.300 0.012 0.000 1.145 56 M CB 0.408 33.013 32.600 0.008 0.000 1.473 56 M HN 0.070 nan 8.290 nan 0.000 0.462 57 E N 1.146 121.354 120.200 0.012 0.000 2.259 57 E HA 0.662 5.012 4.350 -0.001 0.000 0.257 57 E C 0.851 177.454 176.600 0.005 0.000 0.998 57 E CA -0.542 55.866 56.400 0.012 0.000 0.866 57 E CB 1.122 30.831 29.700 0.017 0.000 1.220 57 E HN 0.763 nan 8.360 nan 0.000 0.415 58 A N 0.970 123.794 122.820 0.007 0.000 1.933 58 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 58 A C 0.781 178.362 177.584 -0.005 0.000 1.175 58 A CA 1.333 53.371 52.037 0.001 0.000 0.628 58 A CB -0.147 18.856 19.000 0.005 0.000 0.814 58 A HN 0.406 nan 8.150 nan 0.000 0.444 59 R N -0.958 119.539 120.500 -0.005 0.000 2.803 59 R HA 0.408 4.747 4.340 -0.001 0.000 0.276 59 R C -2.958 173.328 176.300 -0.024 0.000 0.978 59 R CA -2.213 53.878 56.100 -0.014 0.000 0.939 59 R CB 1.413 31.707 30.300 -0.011 0.000 1.179 59 R HN -0.001 nan 8.270 nan 0.000 0.472 60 P HA 0.140 nan 4.420 nan 0.000 0.247 60 P C -0.373 176.858 177.300 -0.115 0.000 1.756 60 P CA 0.181 63.233 63.100 -0.079 0.000 1.117 60 P CB 0.453 32.102 31.700 -0.086 0.000 1.869 61 M N 1.046 120.595 119.600 -0.084 0.000 2.738 61 M HA 0.027 4.506 4.480 -0.001 0.000 0.256 61 M C 1.844 178.071 176.300 -0.121 0.000 1.253 61 M CA 0.951 56.202 55.300 -0.081 0.000 1.223 61 M CB -0.322 32.267 32.600 -0.017 0.000 1.263 61 M HN 0.092 nan 8.290 nan 0.000 0.521 62 Y N 0.868 121.065 120.300 -0.172 0.000 2.243 62 Y HA 0.168 4.717 4.550 -0.002 0.000 0.293 62 Y C 1.337 177.043 175.900 -0.324 0.000 1.124 62 Y CA 1.143 59.131 58.100 -0.188 0.000 1.159 62 Y CB 0.425 38.819 38.460 -0.110 0.000 1.008 62 Y HN -0.024 nan 8.280 nan 0.000 0.527 63 R N -0.945 119.285 120.500 -0.450 0.000 3.142 63 R HA 0.101 4.440 4.340 -0.001 0.000 0.260 63 R C 0.938 177.014 176.300 -0.372 0.000 1.129 63 R CA 0.162 55.874 56.100 -0.647 0.000 0.976 63 R CB 0.518 30.518 30.300 -0.500 0.000 1.396 63 R HN 0.104 nan 8.270 nan 0.000 0.434 64 E N 0.868 120.910 120.200 -0.264 0.000 2.385 64 E HA 0.037 4.386 4.350 -0.001 0.000 0.194 64 E C -0.603 175.962 176.600 -0.058 0.000 1.013 64 E CA 0.767 57.086 56.400 -0.135 0.000 0.866 64 E CB 0.327 30.009 29.700 -0.029 0.000 0.832 64 E HN 0.433 nan 8.360 nan 0.000 0.500 65 E N 1.214 121.392 120.200 -0.037 0.000 2.349 65 E HA 0.284 4.634 4.350 -0.001 0.000 0.262 65 E C -0.197 176.392 176.600 -0.018 0.000 1.088 65 E CA 0.017 56.409 56.400 -0.014 0.000 0.899 65 E CB 1.163 30.867 29.700 0.006 0.000 1.044 65 E HN 0.266 nan 8.360 nan 0.000 0.420 66 T N -2.027 112.517 114.554 -0.018 0.000 2.906 66 T HA 0.383 4.732 4.350 -0.001 0.000 0.295 66 T C 0.997 175.685 174.700 -0.019 0.000 1.075 66 T CA -0.772 61.318 62.100 -0.017 0.000 1.005 66 T CB 0.711 69.567 68.868 -0.020 0.000 1.136 66 T HN 0.385 nan 8.240 nan 0.000 0.498 67 I N 1.141 121.702 120.570 -0.015 0.000 2.163 67 I HA -0.120 4.049 4.170 -0.001 0.000 0.243 67 I C 3.026 179.127 176.117 -0.027 0.000 1.085 67 I CA 1.776 63.066 61.300 -0.017 0.000 1.347 67 I CB -0.703 37.291 38.000 -0.010 0.000 1.044 67 I HN 0.899 nan 8.210 nan 0.000 0.408 68 A N 0.930 123.735 122.820 -0.026 0.000 1.908 68 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 68 A C 2.440 179.996 177.584 -0.047 0.000 1.181 68 A CA 2.046 54.064 52.037 -0.032 0.000 0.627 68 A CB -1.466 17.518 19.000 -0.026 0.000 0.818 68 A HN 0.471 nan 8.150 nan 0.000 0.445 69 G N -0.721 108.050 108.800 -0.048 0.000 2.404 69 G HA2 0.034 3.993 3.960 -0.001 0.000 0.215 69 G HA3 0.034 3.993 3.960 -0.001 0.000 0.215 69 G C 1.756 176.597 174.900 -0.098 0.000 1.174 69 G CA 1.459 46.519 45.100 -0.066 0.000 0.780 69 G HN 0.799 nan 8.290 nan 0.000 0.537 70 A N 0.541 123.314 122.820 -0.078 0.000 1.873 70 A HA 0.140 4.459 4.320 -0.001 0.000 0.215 70 A C 2.429 179.943 177.584 -0.117 0.000 1.186 70 A CA 1.186 53.168 52.037 -0.092 0.000 0.616 70 A CB -0.394 18.581 19.000 -0.043 0.000 0.823 70 A HN 0.337 nan 8.150 nan 0.000 0.442 71 L N -0.687 120.485 121.223 -0.084 0.000 2.093 71 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 71 L C 2.349 179.152 176.870 -0.112 0.000 1.085 71 L CA 1.750 56.542 54.840 -0.079 0.000 0.755 71 L CB -0.644 41.389 42.059 -0.042 0.000 0.904 71 L HN 0.515 nan 8.230 nan 0.000 0.435 72 D N 0.381 120.712 120.400 -0.115 0.000 2.144 72 D HA -0.230 4.409 4.640 -0.001 0.000 0.199 72 D C 2.119 178.288 176.300 -0.217 0.000 0.984 72 D CA 0.846 54.768 54.000 -0.130 0.000 0.834 72 D CB 0.132 40.870 40.800 -0.103 0.000 0.955 72 D HN 0.084 nan 8.370 nan 0.000 0.465 73 L N 0.166 121.208 121.223 -0.301 0.000 2.056 73 L HA -0.018 4.321 4.340 -0.001 0.000 0.207 73 L C 2.068 178.559 176.870 -0.632 0.000 1.078 73 L CA 1.384 55.897 54.840 -0.545 0.000 0.749 73 L CB -0.505 41.156 42.059 -0.663 0.000 0.901 73 L HN 0.217 nan 8.230 nan 0.000 0.433 74 L N -0.387 120.599 121.223 -0.395 0.000 1.994 74 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 74 L C 2.831 179.561 176.870 -0.234 0.000 1.071 74 L CA 2.004 56.707 54.840 -0.229 0.000 0.745 74 L CB -0.628 41.362 42.059 -0.116 0.000 0.892 74 L HN 0.392 nan 8.230 nan 0.000 0.431 75 R N -0.092 120.261 120.500 -0.245 0.000 2.119 75 R HA -0.021 4.318 4.340 -0.001 0.000 0.222 75 R C 1.975 178.161 176.300 -0.190 0.000 1.088 75 R CA 1.273 57.190 56.100 -0.306 0.000 0.984 75 R CB -0.650 29.539 30.300 -0.185 0.000 0.884 75 R HN 0.254 nan 8.270 nan 0.000 0.447 76 G N -0.737 107.961 108.800 -0.170 0.000 2.744 76 G HA2 0.028 3.987 3.960 -0.001 0.000 0.211 76 G HA3 0.028 3.987 3.960 -0.001 0.000 0.211 76 G C 0.696 175.513 174.900 -0.139 0.000 1.146 76 G CA 0.638 45.662 45.100 -0.127 0.000 0.787 76 G HN 0.354 nan 8.290 nan 0.000 0.534 77 T N -0.540 113.888 114.554 -0.209 0.000 3.467 77 T HA 0.180 4.529 4.350 -0.001 0.000 0.258 77 T C 1.623 176.331 174.700 0.014 0.000 0.999 77 T CA -0.213 61.770 62.100 -0.195 0.000 1.148 77 T CB -0.050 68.513 68.868 -0.508 0.000 1.186 77 T HN -0.025 nan 8.240 nan 0.000 0.401 78 F N 2.096 121.945 119.950 -0.170 0.000 2.163 78 F HA 0.274 4.800 4.527 -0.002 0.000 0.297 78 F C 2.171 177.931 175.800 -0.067 0.000 1.094 78 F CA 0.245 58.179 58.000 -0.109 0.000 1.290 78 F CB -1.224 37.711 39.000 -0.109 0.000 1.017 78 F HN 0.077 nan 8.300 nan 0.000 0.483 79 L N -0.292 120.985 121.223 0.091 0.000 2.027 79 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 79 L C -0.283 176.617 176.870 0.050 0.000 1.074 79 L CA 1.259 56.115 54.840 0.027 0.000 0.745 79 L CB -2.078 39.917 42.059 -0.107 0.000 0.898 79 L HN 0.036 nan 8.230 nan 0.000 0.433 80 P HA -0.192 nan 4.420 nan 0.000 0.217 80 P C 1.388 178.741 177.300 0.089 0.000 1.148 80 P CA 1.761 64.898 63.100 0.060 0.000 0.828 80 P CB -0.003 31.723 31.700 0.043 0.000 0.783 81 A N -0.515 122.373 122.820 0.113 0.000 2.015 81 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 81 A C 2.019 179.699 177.584 0.161 0.000 1.163 81 A CA 1.484 53.603 52.037 0.137 0.000 0.646 81 A CB -1.274 17.827 19.000 0.169 0.000 0.806 81 A HN 0.375 nan 8.150 nan 0.000 0.448 82 I N -4.277 116.394 120.570 0.167 0.000 3.939 82 I HA 0.342 4.511 4.170 -0.001 0.000 0.313 82 I C 0.067 176.330 176.117 0.242 0.000 1.274 82 I CA -0.273 61.188 61.300 0.269 0.000 1.301 82 I CB 0.018 38.108 38.000 0.150 0.000 1.105 82 I HN -0.056 nan 8.210 nan 0.000 0.427 83 L N 3.512 124.828 121.223 0.154 0.000 2.410 83 L HA 0.345 4.684 4.340 -0.001 0.000 0.273 83 L C 1.351 178.280 176.870 0.098 0.000 1.144 83 L CA 1.064 55.985 54.840 0.134 0.000 0.863 83 L CB 0.714 42.843 42.059 0.116 0.000 1.140 83 L HN 0.587 nan 8.230 nan 0.000 0.463 84 G N 1.610 110.463 108.800 0.089 0.000 2.176 84 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.253 84 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.253 84 G C 0.261 175.148 174.900 -0.021 0.000 0.979 84 G CA -0.407 44.716 45.100 0.038 0.000 0.641 84 G HN 0.503 nan 8.290 nan 0.000 0.530 85 Q N 0.476 120.254 119.800 -0.036 0.000 2.214 85 Q HA 0.632 4.971 4.340 -0.001 0.000 0.251 85 Q C -0.252 175.474 176.000 -0.457 0.000 0.936 85 Q CA 0.035 55.669 55.803 -0.282 0.000 0.894 85 Q CB 1.530 30.044 28.738 -0.373 0.000 1.252 85 Q HN 0.214 nan 8.270 nan 0.000 0.448 86 T N 2.008 116.150 114.554 -0.686 0.000 2.823 86 T HA 0.679 5.028 4.350 -0.001 0.000 0.279 86 T C -0.768 173.347 174.700 -0.974 0.000 0.998 86 T CA -0.265 61.474 62.100 -0.602 0.000 0.994 86 T CB 0.288 68.962 68.868 -0.324 0.000 0.960 86 T HN 0.246 nan 8.240 nan 0.000 0.448 87 F N 0.187 119.762 119.950 -0.626 0.000 2.576 87 F HA 0.597 5.123 4.527 -0.001 0.000 0.313 87 F C 1.033 176.340 175.800 -0.821 0.000 1.078 87 F CA -1.248 56.309 58.000 -0.740 0.000 0.921 87 F CB 1.567 40.008 39.000 -0.931 0.000 1.232 87 F HN 0.631 nan 8.300 nan 0.000 0.459 88 A N 1.596 124.208 122.820 -0.347 0.000 1.970 88 A HA 0.145 4.464 4.320 -0.001 0.000 0.216 88 A C 0.185 177.427 177.584 -0.570 0.000 1.170 88 A CA 1.437 53.276 52.037 -0.330 0.000 0.645 88 A CB -0.598 18.277 19.000 -0.209 0.000 0.816 88 A HN 0.834 nan 8.150 nan 0.000 0.447 89 N N -4.406 113.954 118.700 -0.567 0.000 3.227 89 N HA 0.286 5.025 4.740 -0.001 0.000 0.241 89 N C -3.165 171.997 175.510 -0.580 0.000 1.480 89 N CA -1.402 51.124 53.050 -0.872 0.000 0.886 89 N CB 0.236 38.232 38.487 -0.817 0.000 1.406 89 N HN -0.281 nan 8.380 nan 0.000 0.514 90 P HA -0.014 nan 4.420 nan 0.000 0.220 90 P C 0.448 177.480 177.300 -0.446 0.000 1.148 90 P CA 1.275 63.946 63.100 -0.716 0.000 0.803 90 P CB 0.283 31.078 31.700 -1.509 0.000 0.782 91 E N -0.131 119.855 120.200 -0.356 0.000 2.110 91 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 91 E C 2.131 178.635 176.600 -0.160 0.000 0.988 91 E CA 1.488 57.793 56.400 -0.159 0.000 0.804 91 E CB -1.005 28.647 29.700 -0.080 0.000 0.745 91 E HN 0.154 nan 8.360 nan 0.000 0.458 92 A N 0.436 123.142 122.820 -0.190 0.000 1.930 92 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 92 A C 2.424 179.910 177.584 -0.163 0.000 1.175 92 A CA 1.128 53.110 52.037 -0.092 0.000 0.627 92 A CB -0.578 18.412 19.000 -0.016 0.000 0.815 92 A HN 0.142 nan 8.150 nan 0.000 0.443 93 V N -0.400 119.226 119.914 -0.480 0.000 2.261 93 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 93 V C 2.812 178.669 176.094 -0.395 0.000 1.047 93 V CA 2.360 64.179 62.300 -0.802 0.000 1.015 93 V CB -0.924 30.431 31.823 -0.781 0.000 0.642 93 V HN 0.659 nan 8.190 nan 0.000 0.446 94 S N -0.065 115.474 115.700 -0.268 0.000 2.383 94 S HA -0.292 4.177 4.470 -0.001 0.000 0.229 94 S C 1.876 176.392 174.600 -0.139 0.000 1.030 94 S CA 2.134 60.223 58.200 -0.186 0.000 1.002 94 S CB -0.525 62.612 63.200 -0.105 0.000 0.829 94 S HN 0.774 nan 8.310 nan 0.000 0.467 95 D N 0.687 121.026 120.400 -0.101 0.000 2.178 95 D HA -0.012 4.628 4.640 -0.001 0.000 0.201 95 D C 1.882 178.163 176.300 -0.032 0.000 0.980 95 D CA 1.260 55.229 54.000 -0.052 0.000 0.842 95 D CB -0.425 40.356 40.800 -0.032 0.000 0.948 95 D HN 0.455 nan 8.370 nan 0.000 0.472 96 A N -0.250 122.558 122.820 -0.020 0.000 2.125 96 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 96 A C 1.959 179.553 177.584 0.017 0.000 1.156 96 A CA 0.805 52.864 52.037 0.037 0.000 0.671 96 A CB -0.466 18.612 19.000 0.130 0.000 0.794 96 A HN 0.429 nan 8.150 nan 0.000 0.459 97 L N -1.472 119.711 121.223 -0.066 0.000 2.728 97 L HA 0.190 4.530 4.340 -0.001 0.000 0.238 97 L C 2.168 179.054 176.870 0.027 0.000 1.143 97 L CA 0.297 55.099 54.840 -0.064 0.000 0.937 97 L CB -0.043 41.728 42.059 -0.481 0.000 1.225 97 L HN 0.375 nan 8.230 nan 0.000 0.507 98 G N -0.334 108.456 108.800 -0.015 0.000 2.509 98 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 98 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 98 G C 1.588 176.460 174.900 -0.046 0.000 1.124 98 G CA 0.677 45.764 45.100 -0.020 0.000 0.776 98 G HN 0.305 nan 8.290 nan 0.000 0.547 99 S N -0.399 115.217 115.700 -0.140 0.000 2.399 99 S HA 0.024 4.493 4.470 -0.001 0.000 0.231 99 S C 0.563 174.958 174.600 -0.342 0.000 1.022 99 S CA 0.502 58.506 58.200 -0.326 0.000 0.983 99 S CB -0.200 62.656 63.200 -0.573 0.000 0.803 99 S HN 0.461 nan 8.310 nan 0.000 0.480 100 Y N 1.386 121.735 120.300 0.082 0.000 2.301 100 Y HA 0.411 4.960 4.550 -0.002 0.000 0.325 100 Y C 0.878 176.836 175.900 0.096 0.000 1.203 100 Y CA -0.729 57.441 58.100 0.117 0.000 1.255 100 Y CB 0.580 39.184 38.460 0.240 0.000 1.232 100 Y HN -0.116 nan 8.280 nan 0.000 0.501 101 R N 1.366 122.001 120.500 0.225 0.000 2.428 101 R HA 0.495 4.835 4.340 -0.001 0.000 0.294 101 R C 0.594 176.980 176.300 0.143 0.000 1.000 101 R CA 0.092 56.275 56.100 0.139 0.000 0.960 101 R CB 1.192 31.547 30.300 0.092 0.000 1.076 101 R HN 0.983 nan 8.270 nan 0.000 0.475 102 G N 2.431 111.299 108.800 0.113 0.000 2.552 102 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.265 102 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.265 102 G C -0.261 174.714 174.900 0.126 0.000 1.234 102 G CA 0.079 45.241 45.100 0.103 0.000 0.944 102 G HN 0.853 nan 8.290 nan 0.000 0.568 103 N N -0.308 118.456 118.700 0.106 0.000 2.725 103 N HA -0.192 4.548 4.740 -0.001 0.000 0.251 103 N C 1.565 177.154 175.510 0.132 0.000 1.031 103 N CA 1.248 54.365 53.050 0.112 0.000 0.720 103 N CB -0.344 38.218 38.487 0.125 0.000 0.930 103 N HN 0.696 nan 8.380 nan 0.000 0.543 104 R N 0.285 120.842 120.500 0.094 0.000 2.092 104 R HA 0.018 4.358 4.340 -0.001 0.000 0.231 104 R C 2.175 178.511 176.300 0.060 0.000 1.119 104 R CA 1.234 57.379 56.100 0.074 0.000 0.970 104 R CB -0.047 30.287 30.300 0.057 0.000 0.864 104 R HN 0.424 nan 8.270 nan 0.000 0.440 105 M N -0.091 119.542 119.600 0.056 0.000 2.200 105 M HA -0.055 4.425 4.480 -0.001 0.000 0.265 105 M C 2.505 178.832 176.300 0.047 0.000 1.066 105 M CA 1.479 56.799 55.300 0.034 0.000 1.127 105 M CB -0.272 32.346 32.600 0.030 0.000 1.379 105 M HN 0.165 nan 8.290 nan 0.000 0.420 106 A N 0.538 123.409 122.820 0.086 0.000 1.877 106 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 106 A C 2.211 179.936 177.584 0.235 0.000 1.186 106 A CA 1.303 53.421 52.037 0.135 0.000 0.620 106 A CB -0.502 18.565 19.000 0.112 0.000 0.822 106 A HN 0.318 nan 8.150 nan 0.000 0.443 107 R N -0.339 120.306 120.500 0.242 0.000 2.091 107 R HA -0.127 4.212 4.340 -0.001 0.000 0.238 107 R C 2.397 178.690 176.300 -0.011 0.000 1.136 107 R CA 1.438 57.567 56.100 0.048 0.000 0.959 107 R CB -1.070 29.218 30.300 -0.020 0.000 0.856 107 R HN 0.539 nan 8.270 nan 0.000 0.437 108 A N 0.918 123.740 122.820 0.004 0.000 1.972 108 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 108 A C 2.292 179.847 177.584 -0.049 0.000 1.169 108 A CA 1.347 53.361 52.037 -0.038 0.000 0.635 108 A CB -0.400 18.560 19.000 -0.065 0.000 0.810 108 A HN 0.205 nan 8.150 nan 0.000 0.446 109 M N -0.788 118.800 119.600 -0.020 0.000 2.080 109 M HA -0.161 4.318 4.480 -0.001 0.000 0.260 109 M C 2.109 178.403 176.300 -0.010 0.000 1.068 109 M CA 1.641 56.927 55.300 -0.024 0.000 1.109 109 M CB -0.517 32.088 32.600 0.007 0.000 1.342 109 M HN 0.272 nan 8.290 nan 0.000 0.405 110 V N -0.019 119.897 119.914 0.004 0.000 2.307 110 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 110 V C 2.434 178.507 176.094 -0.034 0.000 1.045 110 V CA 1.874 64.161 62.300 -0.022 0.000 1.024 110 V CB -0.796 30.987 31.823 -0.066 0.000 0.651 110 V HN 0.486 nan 8.190 nan 0.000 0.449 111 E N -0.001 120.181 120.200 -0.031 0.000 2.077 111 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 111 E C 2.193 178.905 176.600 0.188 0.000 0.989 111 E CA 1.699 58.115 56.400 0.027 0.000 0.800 111 E CB -0.119 29.609 29.700 0.047 0.000 0.746 111 E HN 0.571 nan 8.360 nan 0.000 0.452 112 M N -0.167 119.514 119.600 0.136 0.000 2.200 112 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 112 M C 2.414 178.881 176.300 0.279 0.000 1.066 112 M CA 1.285 56.715 55.300 0.218 0.000 1.127 112 M CB -0.148 32.321 32.600 -0.219 0.000 1.379 112 M HN 0.084 nan 8.290 nan 0.000 0.420 113 A N 0.563 123.456 122.820 0.122 0.000 1.933 113 A HA -0.043 4.276 4.320 -0.001 0.000 0.218 113 A C 2.370 180.011 177.584 0.095 0.000 1.175 113 A CA 1.853 53.961 52.037 0.118 0.000 0.628 113 A CB -0.856 18.170 19.000 0.044 0.000 0.814 113 A HN 0.481 nan 8.150 nan 0.000 0.444 114 A N -1.462 121.390 122.820 0.052 0.000 1.933 114 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 114 A C 1.960 179.510 177.584 -0.057 0.000 1.175 114 A CA 1.302 53.311 52.037 -0.046 0.000 0.628 114 A CB -0.861 18.070 19.000 -0.116 0.000 0.814 114 A HN 0.736 nan 8.150 nan 0.000 0.444 115 W N 0.012 121.368 121.300 0.094 0.000 2.335 115 W HA -0.164 4.496 4.660 -0.001 0.000 0.311 115 W C 2.068 178.627 176.519 0.066 0.000 1.213 115 W CA 1.467 58.897 57.345 0.141 0.000 1.274 115 W CB -0.215 29.363 29.460 0.196 0.000 1.148 115 W HN 0.450 nan 8.180 nan 0.000 0.498 116 D N -0.050 120.526 120.400 0.293 0.000 2.097 116 D HA -0.196 4.444 4.640 -0.001 0.000 0.195 116 D C 2.027 178.323 176.300 -0.007 0.000 0.989 116 D CA 1.341 55.399 54.000 0.096 0.000 0.827 116 D CB -0.443 40.422 40.800 0.108 0.000 0.966 116 D HN 0.010 nan 8.370 nan 0.000 0.456 117 L N 0.466 121.667 121.223 -0.037 0.000 1.994 117 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 117 L C 2.234 178.975 176.870 -0.215 0.000 1.071 117 L CA 1.844 56.603 54.840 -0.135 0.000 0.745 117 L CB -0.959 41.001 42.059 -0.165 0.000 0.892 117 L HN 0.382 nan 8.230 nan 0.000 0.431 118 W N 0.397 121.363 121.300 -0.556 0.000 2.333 118 W HA -0.304 4.355 4.660 -0.002 0.000 0.316 118 W C 2.134 178.500 176.519 -0.254 0.000 1.215 118 W CA 1.808 58.790 57.345 -0.605 0.000 1.278 118 W CB -0.286 28.800 29.460 -0.623 0.000 1.154 118 W HN 0.358 nan 8.180 nan 0.000 0.486 119 A N 1.326 123.996 122.820 -0.249 0.000 1.908 119 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 119 A C 1.994 179.398 177.584 -0.299 0.000 1.181 119 A CA 2.046 53.886 52.037 -0.328 0.000 0.627 119 A CB -0.954 17.963 19.000 -0.138 0.000 0.818 119 A HN 0.451 nan 8.150 nan 0.000 0.445 120 R N -0.664 119.710 120.500 -0.209 0.000 2.148 120 R HA -0.069 4.270 4.340 -0.001 0.000 0.223 120 R C 2.365 178.565 176.300 -0.167 0.000 1.088 120 R CA 1.566 57.569 56.100 -0.162 0.000 0.985 120 R CB -0.559 29.674 30.300 -0.112 0.000 0.880 120 R HN 0.778 nan 8.270 nan 0.000 0.451 121 T N -1.108 113.322 114.554 -0.206 0.000 2.915 121 T HA -0.040 4.309 4.350 -0.001 0.000 0.269 121 T C 1.716 176.287 174.700 -0.214 0.000 1.071 121 T CA 0.904 62.908 62.100 -0.160 0.000 1.132 121 T CB -0.056 68.761 68.868 -0.086 0.000 0.878 121 T HN 0.157 nan 8.240 nan 0.000 0.479 122 L N 0.190 121.202 121.223 -0.351 0.000 2.529 122 L HA 0.393 4.732 4.340 -0.001 0.000 0.223 122 L C 2.022 178.764 176.870 -0.213 0.000 1.113 122 L CA 0.347 54.988 54.840 -0.331 0.000 0.861 122 L CB -0.503 41.244 42.059 -0.520 0.000 1.012 122 L HN 0.554 nan 8.230 nan 0.000 0.461 123 G N 1.142 109.830 108.800 -0.188 0.000 2.176 123 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.252 123 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.252 123 G C -0.057 174.766 174.900 -0.128 0.000 1.024 123 G CA 0.179 45.200 45.100 -0.132 0.000 0.755 123 G HN 0.136 nan 8.290 nan 0.000 0.507 124 V N 0.457 120.272 119.914 -0.165 0.000 2.628 124 V HA 0.545 4.665 4.120 -0.001 0.000 0.306 124 V C -1.811 174.197 176.094 -0.143 0.000 1.045 124 V CA -2.002 60.216 62.300 -0.137 0.000 0.905 124 V CB 2.154 33.887 31.823 -0.150 0.000 0.997 124 V HN 0.075 nan 8.190 nan 0.000 0.436 125 P HA 0.034 nan 4.420 nan 0.000 0.266 125 P C 0.607 177.772 177.300 -0.224 0.000 1.195 125 P CA -0.103 62.907 63.100 -0.151 0.000 0.768 125 P CB 0.616 32.309 31.700 -0.011 0.000 0.838 126 L N 4.375 125.311 121.223 -0.478 0.000 2.017 126 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 126 L C 2.225 178.924 176.870 -0.285 0.000 1.073 126 L CA 2.643 57.229 54.840 -0.424 0.000 0.745 126 L CB -1.683 39.983 42.059 -0.655 0.000 0.894 126 L HN 0.512 nan 8.230 nan 0.000 0.432 127 G N -1.868 106.866 108.800 -0.109 0.000 2.442 127 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 127 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 127 G C 1.428 176.301 174.900 -0.045 0.000 1.141 127 G CA 1.252 46.344 45.100 -0.014 0.000 0.763 127 G HN 0.456 nan 8.290 nan 0.000 0.554 128 T N 1.440 115.987 114.554 -0.012 0.000 2.684 128 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 128 T C 2.383 177.086 174.700 0.005 0.000 1.036 128 T CA 1.107 63.211 62.100 0.005 0.000 1.148 128 T CB -0.253 68.616 68.868 0.002 0.000 0.863 128 T HN 0.174 nan 8.240 nan 0.000 0.436 129 L N 0.276 121.495 121.223 -0.006 0.000 2.191 129 L HA 0.023 4.362 4.340 -0.001 0.000 0.212 129 L C 2.175 179.072 176.870 0.046 0.000 1.103 129 L CA 0.904 55.791 54.840 0.079 0.000 0.769 129 L CB -0.458 41.723 42.059 0.204 0.000 0.908 129 L HN 0.268 nan 8.230 nan 0.000 0.438 130 L N -0.820 120.334 121.223 -0.115 0.000 2.554 130 L HA 0.112 4.451 4.340 -0.001 0.000 0.226 130 L C 1.492 178.315 176.870 -0.078 0.000 1.137 130 L CA 0.673 55.401 54.840 -0.187 0.000 0.863 130 L CB -0.233 41.613 42.059 -0.356 0.000 0.985 130 L HN 0.479 nan 8.230 nan 0.000 0.451 131 G N -0.514 108.275 108.800 -0.020 0.000 2.179 131 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.220 131 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.220 131 G C 0.530 175.452 174.900 0.037 0.000 0.990 131 G CA -0.334 44.787 45.100 0.035 0.000 0.646 131 G HN 0.477 nan 8.290 nan 0.000 0.517 132 G N -0.395 108.387 108.800 -0.030 0.000 2.503 132 G HA2 0.601 4.561 3.960 -0.001 0.000 0.257 132 G HA3 0.601 4.561 3.960 -0.001 0.000 0.257 132 G C 0.159 175.058 174.900 -0.001 0.000 1.214 132 G CA 0.328 45.377 45.100 -0.084 0.000 0.839 132 G HN 1.420 nan 8.290 nan 0.000 0.559 133 H N -2.057 117.015 119.070 0.004 0.000 2.985 133 H HA 0.344 4.899 4.556 -0.001 0.000 0.246 133 H C 0.168 175.496 175.328 0.001 0.000 1.181 133 H CA -0.677 55.373 56.048 0.003 0.000 0.972 133 H CB -0.247 29.522 29.762 0.011 0.000 2.016 133 H HN 0.315 nan 8.280 nan 0.000 0.672 134 K N 1.013 121.359 120.400 -0.090 0.000 2.237 134 K HA 0.126 4.446 4.320 -0.001 0.000 0.270 134 K C 0.141 176.724 176.600 -0.027 0.000 1.015 134 K CA -0.091 56.170 56.287 -0.043 0.000 0.949 134 K CB 1.343 33.798 32.500 -0.075 0.000 0.976 134 K HN 0.434 nan 8.250 nan 0.000 0.472 135 E N 1.157 121.348 120.200 -0.014 0.000 2.415 135 E HA -0.016 4.334 4.350 -0.001 0.000 0.197 135 E C -0.205 176.367 176.600 -0.048 0.000 1.007 135 E CA 0.432 56.816 56.400 -0.025 0.000 0.890 135 E CB 0.605 30.301 29.700 -0.006 0.000 0.891 135 E HN 0.421 nan 8.360 nan 0.000 0.496 136 Q N 0.221 119.994 119.800 -0.045 0.000 2.462 136 Q HA 0.454 4.793 4.340 -0.001 0.000 0.285 136 Q C -1.230 174.743 176.000 -0.045 0.000 1.035 136 Q CA -0.851 54.922 55.803 -0.049 0.000 0.799 136 Q CB 3.140 31.858 28.738 -0.032 0.000 1.452 136 Q HN 0.003 nan 8.270 nan 0.000 0.404 137 V N -2.266 117.621 119.914 -0.045 0.000 2.735 137 V HA 0.551 4.670 4.120 -0.001 0.000 0.310 137 V C -0.501 175.595 176.094 0.004 0.000 1.061 137 V CA -0.901 61.383 62.300 -0.026 0.000 0.913 137 V CB 1.967 33.755 31.823 -0.058 0.000 1.005 137 V HN 0.721 nan 8.190 nan 0.000 0.428 138 E N 2.205 122.425 120.200 0.032 0.000 2.354 138 E HA 0.498 4.847 4.350 -0.001 0.000 0.269 138 E C -0.370 176.274 176.600 0.073 0.000 1.036 138 E CA -0.338 56.089 56.400 0.044 0.000 0.876 138 E CB 1.942 31.673 29.700 0.053 0.000 1.009 138 E HN 0.938 nan 8.360 nan 0.000 0.416 139 V N -0.517 119.444 119.914 0.079 0.000 2.769 139 V HA 0.866 4.985 4.120 -0.001 0.000 0.312 139 V C 0.148 176.368 176.094 0.209 0.000 1.061 139 V CA -0.694 61.690 62.300 0.141 0.000 0.931 139 V CB 1.721 33.637 31.823 0.155 0.000 1.010 139 V HN 0.670 nan 8.190 nan 0.000 0.433 140 G N 0.955 109.854 108.800 0.164 0.000 2.597 140 G HA2 0.706 4.665 3.960 -0.001 0.000 0.317 140 G HA3 0.706 4.665 3.960 -0.001 0.000 0.317 140 G C -1.189 173.636 174.900 -0.126 0.000 1.230 140 G CA -0.740 44.395 45.100 0.057 0.000 0.996 140 G HN 1.282 nan 8.290 nan 0.000 0.490 141 V N -0.822 118.823 119.914 -0.449 0.000 2.864 141 V HA 0.782 4.901 4.120 -0.001 0.000 0.314 141 V C -0.548 175.296 176.094 -0.415 0.000 1.073 141 V CA -0.626 61.240 62.300 -0.723 0.000 0.956 141 V CB 2.423 33.346 31.823 -1.500 0.000 1.023 141 V HN 0.748 nan 8.190 nan 0.000 0.435 142 S N 5.792 121.297 115.700 -0.325 0.000 2.552 142 S HA 0.713 5.183 4.470 -0.001 0.000 0.314 142 S C -1.076 173.433 174.600 -0.152 0.000 1.099 142 S CA -0.386 57.715 58.200 -0.165 0.000 1.070 142 S CB 1.233 64.402 63.200 -0.051 0.000 0.998 142 S HN 0.496 nan 8.310 nan 0.000 0.474 143 L N 2.819 123.983 121.223 -0.098 0.000 2.307 143 L HA 0.636 4.975 4.340 -0.001 0.000 0.284 143 L C 1.074 177.955 176.870 0.019 0.000 1.023 143 L CA -0.056 54.764 54.840 -0.033 0.000 0.810 143 L CB 0.984 43.042 42.059 -0.001 0.000 1.231 143 L HN 0.761 nan 8.230 nan 0.000 0.423 144 G N 2.724 111.543 108.800 0.033 0.000 2.611 144 G HA2 0.396 4.356 3.960 -0.001 0.000 0.273 144 G HA3 0.396 4.356 3.960 -0.001 0.000 0.273 144 G C 0.064 175.017 174.900 0.089 0.000 1.305 144 G CA -0.717 44.416 45.100 0.055 0.000 1.010 144 G HN 0.516 nan 8.290 nan 0.000 0.509 145 I N 1.156 121.786 120.570 0.100 0.000 2.598 145 I HA 0.046 4.215 4.170 -0.001 0.000 0.284 145 I C 0.298 176.449 176.117 0.057 0.000 1.140 145 I CA -0.067 61.314 61.300 0.136 0.000 1.420 145 I CB 0.788 38.846 38.000 0.096 0.000 1.387 145 I HN 0.306 nan 8.210 nan 0.000 0.553 146 Q N 4.664 124.527 119.800 0.105 0.000 2.194 146 Q HA 0.427 4.766 4.340 -0.001 0.000 0.245 146 Q C 0.759 176.680 176.000 -0.131 0.000 0.993 146 Q CA -0.539 55.281 55.803 0.027 0.000 0.930 146 Q CB 1.213 30.012 28.738 0.102 0.000 1.238 146 Q HN 0.744 nan 8.270 nan 0.000 0.486 147 A N 0.284 123.024 122.820 -0.133 0.000 2.014 147 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 147 A C 0.054 177.444 177.584 -0.323 0.000 1.163 147 A CA 1.846 53.738 52.037 -0.242 0.000 0.652 147 A CB -0.128 18.790 19.000 -0.137 0.000 0.808 147 A HN 0.781 nan 8.150 nan 0.000 0.449 148 D N -4.103 116.235 120.400 -0.103 0.000 2.692 148 D HA 0.237 4.876 4.640 -0.001 0.000 0.303 148 D C 0.183 176.705 176.300 0.370 0.000 1.278 148 D CA -0.408 53.640 54.000 0.080 0.000 0.852 148 D CB -0.110 40.716 40.800 0.044 0.000 1.375 148 D HN -0.046 nan 8.370 nan 0.000 0.453 149 E N -0.568 119.870 120.200 0.397 0.000 2.051 149 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 149 E C 1.650 178.336 176.600 0.144 0.000 0.991 149 E CA 1.322 57.869 56.400 0.245 0.000 0.799 149 E CB -0.037 29.740 29.700 0.129 0.000 0.748 149 E HN 0.441 nan 8.360 nan 0.000 0.449 150 Q N 0.120 119.985 119.800 0.108 0.000 2.124 150 Q HA -0.126 4.213 4.340 -0.001 0.000 0.202 150 Q C 2.217 178.260 176.000 0.072 0.000 0.977 150 Q CA 1.224 57.069 55.803 0.070 0.000 0.850 150 Q CB -0.132 28.634 28.738 0.047 0.000 0.901 150 Q HN 0.222 nan 8.270 nan 0.000 0.429 151 A N 0.443 123.309 122.820 0.078 0.000 1.930 151 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 151 A C 2.209 179.842 177.584 0.082 0.000 1.175 151 A CA 1.746 53.821 52.037 0.062 0.000 0.627 151 A CB -0.746 18.281 19.000 0.045 0.000 0.815 151 A HN 0.300 nan 8.150 nan 0.000 0.443 152 T N -0.269 114.362 114.554 0.128 0.000 2.674 152 T HA -0.130 4.219 4.350 -0.001 0.000 0.265 152 T C 1.891 176.649 174.700 0.098 0.000 1.039 152 T CA 1.678 63.855 62.100 0.128 0.000 1.150 152 T CB -0.497 68.471 68.868 0.168 0.000 0.864 152 T HN 0.149 nan 8.240 nan 0.000 0.427 153 V N 1.946 121.925 119.914 0.108 0.000 2.343 153 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 153 V C 2.501 178.687 176.094 0.153 0.000 1.051 153 V CA 1.660 64.053 62.300 0.155 0.000 1.036 153 V CB -0.542 31.357 31.823 0.125 0.000 0.654 153 V HN 0.503 nan 8.190 nan 0.000 0.451 154 D N -0.271 120.183 120.400 0.090 0.000 2.104 154 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 154 D C 2.058 178.365 176.300 0.012 0.000 0.994 154 D CA 1.407 55.440 54.000 0.055 0.000 0.830 154 D CB 0.079 40.895 40.800 0.027 0.000 0.959 154 D HN 0.331 nan 8.370 nan 0.000 0.452 155 L N 0.550 121.773 121.223 -0.001 0.000 2.056 155 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 155 L C 2.425 179.245 176.870 -0.083 0.000 1.078 155 L CA 1.116 55.914 54.840 -0.070 0.000 0.749 155 L CB -0.570 41.488 42.059 -0.002 0.000 0.901 155 L HN -0.133 nan 8.230 nan 0.000 0.433 156 V N -0.056 119.852 119.914 -0.011 0.000 2.332 156 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 156 V C 2.770 178.740 176.094 -0.206 0.000 1.055 156 V CA 2.169 64.410 62.300 -0.098 0.000 1.038 156 V CB -0.765 30.964 31.823 -0.157 0.000 0.651 156 V HN 0.500 nan 8.190 nan 0.000 0.450 157 R N -0.141 120.335 120.500 -0.041 0.000 2.091 157 R HA -0.205 4.134 4.340 -0.001 0.000 0.238 157 R C 2.581 178.871 176.300 -0.016 0.000 1.136 157 R CA 1.832 57.988 56.100 0.092 0.000 0.959 157 R CB -0.318 30.154 30.300 0.286 0.000 0.856 157 R HN 0.438 nan 8.270 nan 0.000 0.437 158 R N -0.403 120.038 120.500 -0.100 0.000 2.080 158 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 158 R C 1.919 178.142 176.300 -0.129 0.000 1.137 158 R CA 1.979 57.976 56.100 -0.171 0.000 0.943 158 R CB -0.388 29.709 30.300 -0.338 0.000 0.846 158 R HN 0.452 nan 8.270 nan 0.000 0.431 159 H N -0.343 118.723 119.070 -0.006 0.000 2.428 159 H HA -0.031 4.524 4.556 -0.002 0.000 0.296 159 H C 2.280 177.659 175.328 0.085 0.000 1.062 159 H CA 1.292 57.385 56.048 0.075 0.000 1.350 159 H CB -0.150 29.577 29.762 -0.059 0.000 1.403 159 H HN 0.071 nan 8.280 nan 0.000 0.533 160 V N 1.173 121.105 119.914 0.029 0.000 2.332 160 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 160 V C 2.515 178.625 176.094 0.026 0.000 1.055 160 V CA 2.092 64.369 62.300 -0.037 0.000 1.038 160 V CB -0.332 31.348 31.823 -0.238 0.000 0.651 160 V HN 0.298 nan 8.190 nan 0.000 0.450 161 E N 0.126 120.345 120.200 0.032 0.000 2.204 161 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 161 E C 2.167 178.779 176.600 0.020 0.000 0.989 161 E CA 1.160 57.579 56.400 0.031 0.000 0.824 161 E CB -0.216 29.500 29.700 0.027 0.000 0.756 161 E HN 0.665 nan 8.360 nan 0.000 0.477 162 Q N -1.304 118.523 119.800 0.046 0.000 2.436 162 Q HA 0.079 4.418 4.340 -0.001 0.000 0.209 162 Q C 0.992 176.930 176.000 -0.103 0.000 0.965 162 Q CA 0.686 56.490 55.803 0.002 0.000 0.910 162 Q CB 0.338 29.136 28.738 0.100 0.000 0.980 162 Q HN 0.434 nan 8.270 nan 0.000 0.491 163 G N -0.441 108.327 108.800 -0.052 0.000 2.159 163 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.227 163 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.227 163 G C -0.352 174.483 174.900 -0.109 0.000 0.986 163 G CA -0.531 44.517 45.100 -0.088 0.000 0.651 163 G HN 0.280 nan 8.290 nan 0.000 0.523 164 Y N 0.515 120.802 120.300 -0.021 0.000 2.702 164 Y HA 0.315 4.864 4.550 -0.002 0.000 0.336 164 Y C 1.935 177.803 175.900 -0.053 0.000 1.235 164 Y CA 0.171 58.246 58.100 -0.041 0.000 1.492 164 Y CB 0.552 38.974 38.460 -0.064 0.000 1.308 164 Y HN 0.012 nan 8.280 nan 0.000 0.589 165 R N 1.851 122.421 120.500 0.117 0.000 2.334 165 R HA 0.169 4.509 4.340 -0.001 0.000 0.216 165 R C 0.126 176.425 176.300 -0.002 0.000 0.905 165 R CA 0.150 56.273 56.100 0.038 0.000 1.064 165 R CB 0.110 30.427 30.300 0.027 0.000 1.046 165 R HN 0.509 nan 8.270 nan 0.000 0.508 166 R N 0.894 121.385 120.500 -0.015 0.000 2.594 166 R HA 0.270 4.610 4.340 -0.001 0.000 0.265 166 R C -1.641 174.570 176.300 -0.148 0.000 1.070 166 R CA -0.502 55.532 56.100 -0.109 0.000 0.909 166 R CB 1.370 31.571 30.300 -0.165 0.000 1.243 166 R HN -0.146 nan 8.270 nan 0.000 0.455 167 I N 3.641 124.099 120.570 -0.186 0.000 2.378 167 I HA 0.397 4.566 4.170 -0.001 0.000 0.291 167 I C 0.104 176.090 176.117 -0.219 0.000 0.992 167 I CA -0.601 60.574 61.300 -0.208 0.000 1.154 167 I CB 1.537 39.423 38.000 -0.190 0.000 1.315 167 I HN 0.467 nan 8.210 nan 0.000 0.448 168 K N 7.552 127.829 120.400 -0.204 0.000 2.307 168 K HA 0.604 4.923 4.320 -0.001 0.000 0.263 168 K C -1.501 175.042 176.600 -0.096 0.000 0.973 168 K CA -0.557 55.637 56.287 -0.156 0.000 0.846 168 K CB 1.371 33.798 32.500 -0.121 0.000 1.100 168 K HN 0.543 nan 8.250 nan 0.000 0.438 169 L N 3.834 125.018 121.223 -0.066 0.000 2.282 169 L HA 0.363 4.702 4.340 -0.001 0.000 0.288 169 L C -0.066 176.823 176.870 0.032 0.000 1.033 169 L CA -1.086 53.743 54.840 -0.017 0.000 0.807 169 L CB 1.351 43.391 42.059 -0.033 0.000 1.209 169 L HN 0.522 nan 8.230 nan 0.000 0.423 170 K N 4.467 124.909 120.400 0.070 0.000 2.401 170 K HA 0.439 4.758 4.320 -0.001 0.000 0.278 170 K C -0.606 176.085 176.600 0.151 0.000 1.018 170 K CA 0.086 56.442 56.287 0.115 0.000 0.981 170 K CB 0.449 33.019 32.500 0.117 0.000 0.933 170 K HN 0.550 nan 8.250 nan 0.000 0.477 171 I N -0.234 120.440 120.570 0.174 0.000 3.145 171 I HA 0.666 4.835 4.170 -0.001 0.000 0.313 171 I C -1.208 175.073 176.117 0.273 0.000 1.122 171 I CA -1.098 60.329 61.300 0.212 0.000 0.987 171 I CB 2.361 40.446 38.000 0.142 0.000 1.236 171 I HN 0.702 nan 8.210 nan 0.000 0.453 172 K N 1.242 121.815 120.400 0.288 0.000 2.579 172 K HA 0.605 4.924 4.320 -0.001 0.000 0.284 172 K C -3.264 173.395 176.600 0.099 0.000 0.990 172 K CA -1.798 54.574 56.287 0.143 0.000 0.880 172 K CB 1.350 33.907 32.500 0.095 0.000 1.488 172 K HN 0.234 nan 8.250 nan 0.000 0.425 173 P HA -0.012 nan 4.420 nan 0.000 0.262 173 P C 0.558 177.902 177.300 0.073 0.000 1.182 173 P CA 1.877 64.919 63.100 -0.097 0.000 0.761 173 P CB 0.433 31.991 31.700 -0.237 0.000 0.795 174 G N 1.680 110.565 108.800 0.142 0.000 2.195 174 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.246 174 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.246 174 G C -0.330 174.770 174.900 0.335 0.000 0.984 174 G CA -0.235 44.975 45.100 0.184 0.000 0.633 174 G HN 0.609 nan 8.290 nan 0.000 0.525 175 W N 1.530 122.866 121.300 0.061 0.000 2.183 175 W HA 0.438 5.097 4.660 -0.001 0.000 0.289 175 W C -0.161 176.407 176.519 0.082 0.000 1.029 175 W CA 0.331 57.708 57.345 0.054 0.000 1.264 175 W CB 0.522 30.003 29.460 0.035 0.000 1.232 175 W HN 0.310 nan 8.180 nan 0.000 0.311 176 D N -0.508 119.754 120.400 -0.230 0.000 2.769 176 D HA -0.014 4.625 4.640 -0.001 0.000 0.155 176 D C 1.430 177.575 176.300 -0.260 0.000 1.479 176 D CA 0.314 54.215 54.000 -0.165 0.000 1.511 176 D CB 0.250 41.090 40.800 0.067 0.000 1.634 176 D HN -0.089 nan 8.370 nan 0.000 0.282 177 V N 0.958 120.771 119.914 -0.169 0.000 2.407 177 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 177 V C 2.356 178.264 176.094 -0.309 0.000 1.055 177 V CA 2.325 64.533 62.300 -0.153 0.000 1.049 177 V CB -0.877 30.931 31.823 -0.025 0.000 0.662 177 V HN 0.160 nan 8.190 nan 0.000 0.455 178 Q N 0.388 119.939 119.800 -0.414 0.000 1.993 178 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 178 Q C 0.080 175.718 176.000 -0.604 0.000 0.984 178 Q CA 2.165 57.671 55.803 -0.495 0.000 0.837 178 Q CB -1.722 26.685 28.738 -0.552 0.000 0.902 178 Q HN 0.537 nan 8.270 nan 0.000 0.423 179 P HA -0.104 nan 4.420 nan 0.000 0.218 179 P C 1.206 178.296 177.300 -0.349 0.000 1.149 179 P CA 1.102 63.877 63.100 -0.542 0.000 0.817 179 P CB 0.071 31.418 31.700 -0.587 0.000 0.785 180 V N 0.969 120.652 119.914 -0.385 0.000 2.307 180 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 180 V C 3.046 178.818 176.094 -0.538 0.000 1.045 180 V CA 1.933 64.025 62.300 -0.348 0.000 1.024 180 V CB -1.130 30.529 31.823 -0.275 0.000 0.651 180 V HN 0.076 nan 8.190 nan 0.000 0.449 181 R N 0.423 120.470 120.500 -0.754 0.000 2.083 181 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 181 R C 2.287 178.327 176.300 -0.433 0.000 1.137 181 R CA 1.868 57.393 56.100 -0.959 0.000 0.951 181 R CB -0.509 29.399 30.300 -0.653 0.000 0.851 181 R HN 0.459 nan 8.270 nan 0.000 0.434 182 A N 0.014 122.665 122.820 -0.282 0.000 1.902 182 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 182 A C 2.201 179.738 177.584 -0.080 0.000 1.181 182 A CA 2.036 53.990 52.037 -0.140 0.000 0.623 182 A CB -0.881 18.066 19.000 -0.088 0.000 0.818 182 A HN 0.498 nan 8.150 nan 0.000 0.443 183 T N -0.751 113.758 114.554 -0.075 0.000 2.737 183 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 183 T C 2.133 176.891 174.700 0.098 0.000 1.038 183 T CA 1.690 63.828 62.100 0.064 0.000 1.144 183 T CB -0.207 68.669 68.868 0.013 0.000 0.866 183 T HN 0.484 nan 8.240 nan 0.000 0.434 184 R N 1.505 121.986 120.500 -0.032 0.000 2.115 184 R HA 0.005 4.344 4.340 -0.001 0.000 0.230 184 R C 2.123 178.439 176.300 0.026 0.000 1.111 184 R CA 1.457 57.573 56.100 0.027 0.000 0.976 184 R CB -0.444 29.878 30.300 0.036 0.000 0.870 184 R HN 0.485 nan 8.270 nan 0.000 0.445 185 E N -0.578 119.603 120.200 -0.032 0.000 2.077 185 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 185 E C 1.759 178.298 176.600 -0.101 0.000 0.989 185 E CA 1.311 57.688 56.400 -0.038 0.000 0.800 185 E CB -0.135 29.536 29.700 -0.049 0.000 0.746 185 E HN 0.479 nan 8.360 nan 0.000 0.452 186 A N 0.284 123.009 122.820 -0.158 0.000 2.016 186 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 186 A C 0.651 177.775 177.584 -0.767 0.000 1.162 186 A CA 0.671 52.439 52.037 -0.449 0.000 0.662 186 A CB 0.089 18.794 19.000 -0.491 0.000 0.812 186 A HN 0.151 nan 8.150 nan 0.000 0.450 187 F N -1.296 118.643 119.950 -0.018 0.000 2.660 187 F HA 0.349 4.877 4.527 0.001 0.000 0.352 187 F C -2.145 173.650 175.800 -0.008 0.000 1.257 187 F CA -1.710 56.282 58.000 -0.013 0.000 1.200 187 F CB 1.582 40.572 39.000 -0.016 0.000 1.473 187 F HN -0.006 nan 8.300 nan 0.000 0.561 188 P HA -0.113 nan 4.420 nan 0.000 0.222 188 P C 0.542 177.886 177.300 0.072 0.000 1.147 188 P CA 1.484 64.624 63.100 0.066 0.000 0.790 188 P CB 0.357 32.074 31.700 0.029 0.000 0.780 189 D N -1.397 119.055 120.400 0.086 0.000 2.503 189 D HA 0.130 4.769 4.640 -0.001 0.000 0.218 189 D C 0.912 177.243 176.300 0.051 0.000 1.183 189 D CA -0.105 53.930 54.000 0.058 0.000 0.827 189 D CB 0.688 41.515 40.800 0.045 0.000 1.034 189 D HN 0.251 nan 8.370 nan 0.000 0.510 190 I N -0.939 119.672 120.570 0.070 0.000 2.938 190 I HA 0.186 4.355 4.170 -0.001 0.000 0.285 190 I C 0.551 176.654 176.117 -0.024 0.000 1.182 190 I CA -0.592 60.716 61.300 0.014 0.000 1.388 190 I CB 0.832 38.814 38.000 -0.029 0.000 1.390 190 I HN -0.341 nan 8.210 nan 0.000 0.600 191 R N 4.384 124.851 120.500 -0.055 0.000 2.288 191 R HA 0.420 4.759 4.340 -0.001 0.000 0.330 191 R C -1.373 174.839 176.300 -0.145 0.000 1.069 191 R CA -0.512 55.532 56.100 -0.094 0.000 0.941 191 R CB 0.454 30.698 30.300 -0.093 0.000 0.998 191 R HN 0.682 nan 8.270 nan 0.000 0.452 192 L N 4.471 125.598 121.223 -0.161 0.000 2.362 192 L HA 0.542 4.881 4.340 -0.001 0.000 0.275 192 L C -0.783 175.920 176.870 -0.279 0.000 0.998 192 L CA -0.021 54.709 54.840 -0.184 0.000 0.820 192 L CB 2.195 44.189 42.059 -0.109 0.000 1.270 192 L HN 0.838 nan 8.230 nan 0.000 0.415 193 T N 1.723 116.077 114.554 -0.334 0.000 2.865 193 T HA 0.852 5.201 4.350 -0.001 0.000 0.294 193 T C -0.670 173.889 174.700 -0.235 0.000 1.119 193 T CA -0.325 61.500 62.100 -0.459 0.000 1.007 193 T CB 1.536 69.883 68.868 -0.867 0.000 1.225 193 T HN 0.886 nan 8.240 nan 0.000 0.515 194 V N -1.460 118.370 119.914 -0.140 0.000 2.962 194 V HA 0.810 4.929 4.120 -0.001 0.000 0.313 194 V C -1.592 174.560 176.094 0.097 0.000 1.099 194 V CA -0.899 61.390 62.300 -0.019 0.000 0.971 194 V CB 1.974 33.788 31.823 -0.016 0.000 1.028 194 V HN 1.026 nan 8.190 nan 0.000 0.430 195 D N 2.569 123.043 120.400 0.123 0.000 2.441 195 D HA 0.696 5.335 4.640 -0.001 0.000 0.231 195 D C 0.590 177.005 176.300 0.192 0.000 1.073 195 D CA 0.127 54.238 54.000 0.186 0.000 0.850 195 D CB 1.804 42.713 40.800 0.182 0.000 1.062 195 D HN 0.911 nan 8.370 nan 0.000 0.524 196 A N 4.099 127.049 122.820 0.217 0.000 2.238 196 A HA 0.057 4.376 4.320 -0.001 0.000 0.210 196 A C 1.167 178.945 177.584 0.323 0.000 1.179 196 A CA 0.223 52.438 52.037 0.298 0.000 0.827 196 A CB -0.444 18.685 19.000 0.214 0.000 0.856 196 A HN 0.685 nan 8.150 nan 0.000 0.488 197 N N -0.681 118.167 118.700 0.247 0.000 2.721 197 N HA -0.214 4.525 4.740 -0.001 0.000 0.249 197 N C 0.159 175.789 175.510 0.201 0.000 1.072 197 N CA 1.068 54.242 53.050 0.206 0.000 0.710 197 N CB -2.001 36.589 38.487 0.170 0.000 0.993 197 N HN 0.398 nan 8.380 nan 0.000 0.547 198 S N -3.163 112.682 115.700 0.242 0.000 3.533 198 S HA -0.248 4.221 4.470 -0.001 0.000 0.347 198 S C 0.990 175.693 174.600 0.172 0.000 1.101 198 S CA 1.119 59.457 58.200 0.230 0.000 1.009 198 S CB -1.662 61.681 63.200 0.238 0.000 0.916 198 S HN 0.939 nan 8.310 nan 0.000 0.496 199 A N -1.438 121.484 122.820 0.169 0.000 2.308 199 A HA 0.518 4.837 4.320 -0.001 0.000 0.217 199 A C 0.270 177.722 177.584 -0.219 0.000 1.216 199 A CA 0.293 52.306 52.037 -0.039 0.000 0.864 199 A CB 0.213 19.134 19.000 -0.132 0.000 0.902 199 A HN 0.536 nan 8.150 nan 0.000 0.499 200 Y N -0.570 119.759 120.300 0.049 0.000 2.602 200 Y HA 0.569 5.118 4.550 -0.002 0.000 0.330 200 Y C 0.922 176.822 175.900 -0.000 0.000 1.114 200 Y CA -0.095 58.021 58.100 0.026 0.000 1.182 200 Y CB 1.569 40.045 38.460 0.026 0.000 1.305 200 Y HN 0.120 nan 8.280 nan 0.000 0.502 201 T N -2.743 111.907 114.554 0.159 0.000 2.888 201 T HA 0.392 4.741 4.350 -0.001 0.000 0.288 201 T C 0.447 175.177 174.700 0.050 0.000 1.063 201 T CA -0.854 61.284 62.100 0.064 0.000 1.010 201 T CB 0.771 69.661 68.868 0.036 0.000 1.214 201 T HN 0.588 nan 8.240 nan 0.000 0.533 202 L N 0.614 121.841 121.223 0.006 0.000 2.265 202 L HA 0.040 4.379 4.340 -0.001 0.000 0.215 202 L C 3.037 179.916 176.870 0.015 0.000 1.117 202 L CA 1.368 56.205 54.840 -0.004 0.000 0.782 202 L CB -0.757 41.290 42.059 -0.020 0.000 0.914 202 L HN 0.950 nan 8.230 nan 0.000 0.441 203 A N -0.679 122.157 122.820 0.026 0.000 2.125 203 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 203 A C 1.593 179.208 177.584 0.052 0.000 1.156 203 A CA 1.441 53.498 52.037 0.032 0.000 0.671 203 A CB -0.312 18.706 19.000 0.029 0.000 0.794 203 A HN 0.357 nan 8.150 nan 0.000 0.459 204 D N -0.140 120.310 120.400 0.083 0.000 2.328 204 D HA 0.263 4.902 4.640 -0.001 0.000 0.226 204 D C 1.835 178.170 176.300 0.060 0.000 1.066 204 D CA 0.756 54.830 54.000 0.123 0.000 0.861 204 D CB 0.103 41.080 40.800 0.295 0.000 0.912 204 D HN 0.441 nan 8.370 nan 0.000 0.521 205 A N 1.039 123.875 122.820 0.026 0.000 1.908 205 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 205 A C 2.357 179.940 177.584 -0.002 0.000 1.181 205 A CA 1.971 54.007 52.037 -0.002 0.000 0.627 205 A CB -0.980 18.017 19.000 -0.005 0.000 0.818 205 A HN 0.317 nan 8.150 nan 0.000 0.445 206 G N -0.713 108.093 108.800 0.011 0.000 2.418 206 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 206 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 206 G C 1.707 176.615 174.900 0.013 0.000 1.158 206 G CA 1.280 46.386 45.100 0.009 0.000 0.771 206 G HN 0.529 nan 8.290 nan 0.000 0.545 207 R N 0.359 120.876 120.500 0.029 0.000 2.066 207 R HA 0.136 4.475 4.340 -0.001 0.000 0.232 207 R C 2.544 178.845 176.300 0.002 0.000 1.131 207 R CA 1.043 57.166 56.100 0.037 0.000 0.955 207 R CB -0.779 29.574 30.300 0.087 0.000 0.851 207 R HN 0.384 nan 8.270 nan 0.000 0.432 208 L N -0.012 121.187 121.223 -0.040 0.000 2.131 208 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 208 L C 2.684 179.523 176.870 -0.051 0.000 1.092 208 L CA 1.479 56.260 54.840 -0.098 0.000 0.759 208 L CB -0.420 41.539 42.059 -0.168 0.000 0.903 208 L HN 0.241 nan 8.230 nan 0.000 0.435 209 R N 0.249 120.729 120.500 -0.032 0.000 2.152 209 R HA -0.173 4.166 4.340 -0.001 0.000 0.232 209 R C 2.151 178.435 176.300 -0.028 0.000 1.117 209 R CA 1.137 57.220 56.100 -0.028 0.000 0.981 209 R CB -0.028 30.259 30.300 -0.022 0.000 0.870 209 R HN 0.469 nan 8.270 nan 0.000 0.451 210 Q N 0.054 119.847 119.800 -0.011 0.000 2.439 210 Q HA -0.111 4.229 4.340 -0.001 0.000 0.211 210 Q C 1.791 177.813 176.000 0.036 0.000 0.978 210 Q CA 0.812 56.616 55.803 0.003 0.000 0.897 210 Q CB 0.085 28.845 28.738 0.036 0.000 0.956 210 Q HN 0.426 nan 8.270 nan 0.000 0.483 211 L N 0.242 121.490 121.223 0.041 0.000 2.395 211 L HA -0.113 4.226 4.340 -0.001 0.000 0.218 211 L C 1.322 178.209 176.870 0.028 0.000 1.130 211 L CA 0.282 55.188 54.840 0.110 0.000 0.826 211 L CB -0.177 41.908 42.059 0.043 0.000 0.941 211 L HN 0.096 nan 8.230 nan 0.000 0.451 212 D N 0.901 121.270 120.400 -0.052 0.000 2.149 212 D HA -0.230 4.409 4.640 -0.001 0.000 0.198 212 D C 1.950 178.159 176.300 -0.152 0.000 0.990 212 D CA 1.502 55.456 54.000 -0.076 0.000 0.839 212 D CB -0.026 40.733 40.800 -0.069 0.000 0.948 212 D HN 0.573 nan 8.370 nan 0.000 0.460 213 E N -0.444 119.568 120.200 -0.314 0.000 2.418 213 E HA -0.169 4.180 4.350 -0.001 0.000 0.197 213 E C 0.885 177.171 176.600 -0.524 0.000 1.026 213 E CA 0.676 56.809 56.400 -0.444 0.000 0.862 213 E CB -0.425 28.941 29.700 -0.557 0.000 0.799 213 E HN 0.435 nan 8.360 nan 0.000 0.518 214 Y N 1.247 121.525 120.300 -0.037 0.000 2.468 214 Y HA 0.118 4.665 4.550 -0.004 0.000 0.268 214 Y C -0.187 175.688 175.900 -0.041 0.000 1.177 214 Y CA -0.313 57.763 58.100 -0.039 0.000 1.265 214 Y CB 0.321 38.751 38.460 -0.049 0.000 1.103 214 Y HN -0.096 nan 8.280 nan 0.000 0.522 215 D N 0.906 121.321 120.400 0.027 0.000 2.697 215 D HA -0.203 4.437 4.640 -0.001 0.000 0.238 215 D C -0.411 175.888 176.300 -0.001 0.000 1.152 215 D CA 0.621 54.625 54.000 0.006 0.000 0.666 215 D CB -1.276 39.526 40.800 0.005 0.000 1.037 215 D HN 0.375 nan 8.370 nan 0.000 0.423 216 L N 0.001 121.219 121.223 -0.009 0.000 2.461 216 L HA 0.051 4.390 4.340 -0.001 0.000 0.272 216 L C 2.195 179.012 176.870 -0.090 0.000 1.197 216 L CA 0.009 54.807 54.840 -0.069 0.000 0.836 216 L CB 0.426 42.442 42.059 -0.073 0.000 1.105 216 L HN -0.047 nan 8.230 nan 0.000 0.477 217 T N 0.632 115.075 114.554 -0.186 0.000 2.904 217 T HA -0.027 4.322 4.350 -0.001 0.000 0.267 217 T C -0.508 174.168 174.700 -0.040 0.000 1.059 217 T CA 1.275 63.286 62.100 -0.147 0.000 1.137 217 T CB -0.115 68.614 68.868 -0.231 0.000 0.879 217 T HN 0.602 nan 8.240 nan 0.000 0.467 218 Y N -1.970 118.322 120.300 -0.013 0.000 2.702 218 Y HA 0.603 5.153 4.550 -0.001 0.000 0.336 218 Y C -1.930 173.979 175.900 0.016 0.000 1.203 218 Y CA -2.257 55.852 58.100 0.016 0.000 1.072 218 Y CB 0.482 38.975 38.460 0.056 0.000 1.327 218 Y HN -0.157 nan 8.280 nan 0.000 0.456 219 I N 2.066 122.797 120.570 0.269 0.000 2.362 219 I HA 0.311 4.480 4.170 -0.001 0.000 0.289 219 I C -0.433 175.856 176.117 0.286 0.000 0.994 219 I CA -0.644 60.777 61.300 0.201 0.000 1.158 219 I CB 1.770 39.814 38.000 0.074 0.000 1.315 219 I HN 0.673 nan 8.210 nan 0.000 0.451 220 E N 5.791 126.184 120.200 0.322 0.000 2.229 220 E HA 0.091 4.440 4.350 -0.001 0.000 0.283 220 E C -0.170 176.557 176.600 0.212 0.000 1.030 220 E CA -0.561 56.003 56.400 0.273 0.000 0.836 220 E CB 0.673 30.581 29.700 0.347 0.000 1.068 220 E HN 0.469 nan 8.360 nan 0.000 0.401 221 Q N 3.847 123.740 119.800 0.155 0.000 2.413 221 Q HA -0.173 4.166 4.340 -0.001 0.000 0.364 221 Q C -1.940 174.268 176.000 0.348 0.000 1.359 221 Q CA 0.595 56.515 55.803 0.195 0.000 1.097 221 Q CB -0.105 28.707 28.738 0.123 0.000 1.286 221 Q HN 0.496 nan 8.270 nan 0.000 0.358 222 P HA -0.121 nan 4.420 nan 0.000 0.222 222 P C 0.276 177.728 177.300 0.252 0.000 1.153 222 P CA 1.052 64.318 63.100 0.277 0.000 0.798 222 P CB 0.303 32.054 31.700 0.085 0.000 0.796 223 L N -1.079 120.216 121.223 0.119 0.000 2.805 223 L HA 0.585 4.924 4.340 -0.001 0.000 0.242 223 L C 0.948 177.907 176.870 0.148 0.000 1.180 223 L CA -1.521 53.279 54.840 -0.067 0.000 1.001 223 L CB -0.577 41.172 42.059 -0.516 0.000 1.864 223 L HN -0.238 nan 8.230 nan 0.000 0.551 224 A N 0.298 123.158 122.820 0.066 0.000 2.520 224 A HA -0.046 4.274 4.320 -0.001 0.000 0.235 224 A C 0.884 178.536 177.584 0.113 0.000 1.065 224 A CA -0.094 51.984 52.037 0.067 0.000 0.764 224 A CB -0.186 18.766 19.000 -0.079 0.000 1.002 224 A HN 0.873 nan 8.150 nan 0.000 0.502 225 W N 2.140 123.474 121.300 0.057 0.000 2.350 225 W HA -0.153 4.506 4.660 -0.002 0.000 0.289 225 W C -0.003 176.503 176.519 -0.023 0.000 1.215 225 W CA 1.404 58.750 57.345 0.002 0.000 1.236 225 W CB -0.543 28.875 29.460 -0.069 0.000 1.130 225 W HN 0.748 nan 8.180 nan 0.000 0.541 226 D N -0.230 119.660 120.400 -0.850 0.000 2.368 226 D HA 0.016 4.655 4.640 -0.001 0.000 0.218 226 D C -0.133 175.928 176.300 -0.399 0.000 1.112 226 D CA -0.135 53.351 54.000 -0.857 0.000 0.834 226 D CB -0.688 39.161 40.800 -1.585 0.000 0.953 226 D HN 0.114 nan 8.370 nan 0.000 0.505 227 D N 0.555 120.837 120.400 -0.197 0.000 2.181 227 D HA 0.217 4.856 4.640 -0.001 0.000 0.248 227 D C 0.560 176.886 176.300 0.043 0.000 1.020 227 D CA -0.529 53.442 54.000 -0.048 0.000 0.891 227 D CB 1.978 42.802 40.800 0.040 0.000 1.187 227 D HN 0.006 nan 8.370 nan 0.000 0.443 228 L N 2.510 123.741 121.223 0.014 0.000 2.624 228 L HA 0.042 4.382 4.340 -0.001 0.000 0.222 228 L C 2.285 179.186 176.870 0.051 0.000 1.046 228 L CA -0.087 54.766 54.840 0.021 0.000 0.872 228 L CB 0.040 42.072 42.059 -0.044 0.000 1.190 228 L HN 0.286 nan 8.230 nan 0.000 0.487 229 V N 0.520 120.442 119.914 0.014 0.000 2.295 229 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 229 V C 1.980 178.077 176.094 0.004 0.000 1.049 229 V CA 2.116 64.417 62.300 0.001 0.000 1.024 229 V CB -0.380 31.432 31.823 -0.019 0.000 0.648 229 V HN 0.401 nan 8.190 nan 0.000 0.447 230 D N -1.482 118.911 120.400 -0.012 0.000 2.183 230 D HA -0.121 4.518 4.640 -0.001 0.000 0.203 230 D C 2.109 178.362 176.300 -0.079 0.000 0.969 230 D CA 0.991 54.956 54.000 -0.059 0.000 0.842 230 D CB -0.338 40.401 40.800 -0.102 0.000 0.957 230 D HN 0.521 nan 8.370 nan 0.000 0.484 231 H N 0.575 119.629 119.070 -0.025 0.000 2.387 231 H HA -0.036 4.520 4.556 -0.002 0.000 0.299 231 H C 2.033 177.348 175.328 -0.022 0.000 1.099 231 H CA 1.351 57.387 56.048 -0.019 0.000 1.315 231 H CB 0.047 29.795 29.762 -0.023 0.000 1.380 231 H HN 0.099 nan 8.280 nan 0.000 0.513 232 A N 1.067 123.938 122.820 0.085 0.000 1.933 232 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 232 A C 2.370 179.963 177.584 0.015 0.000 1.175 232 A CA 1.891 53.948 52.037 0.034 0.000 0.628 232 A CB -0.290 18.718 19.000 0.013 0.000 0.814 232 A HN 0.381 nan 8.150 nan 0.000 0.444 233 E N -0.211 119.991 120.200 0.002 0.000 2.047 233 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 233 E C 1.783 178.377 176.600 -0.011 0.000 0.987 233 E CA 1.294 57.689 56.400 -0.008 0.000 0.799 233 E CB -0.433 29.256 29.700 -0.018 0.000 0.752 233 E HN 0.395 nan 8.360 nan 0.000 0.449 234 L N 0.414 121.625 121.223 -0.020 0.000 2.079 234 L HA -0.034 4.305 4.340 -0.001 0.000 0.210 234 L C 2.182 179.051 176.870 -0.000 0.000 1.081 234 L CA 2.251 57.078 54.840 -0.021 0.000 0.752 234 L CB -0.932 41.098 42.059 -0.048 0.000 0.896 234 L HN 0.211 nan 8.230 nan 0.000 0.433 235 A N -0.657 122.173 122.820 0.018 0.000 2.070 235 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 235 A C 2.352 179.942 177.584 0.009 0.000 1.159 235 A CA 1.425 53.475 52.037 0.021 0.000 0.656 235 A CB -0.540 18.478 19.000 0.029 0.000 0.800 235 A HN 0.535 nan 8.150 nan 0.000 0.453 236 R N -0.856 119.647 120.500 0.005 0.000 2.193 236 R HA 0.033 4.372 4.340 -0.001 0.000 0.213 236 R C 1.885 178.184 176.300 -0.002 0.000 1.055 236 R CA 0.971 57.072 56.100 0.001 0.000 0.995 236 R CB -0.093 30.207 30.300 0.000 0.000 0.893 236 R HN 0.472 nan 8.270 nan 0.000 0.459 237 R N 0.389 120.886 120.500 -0.005 0.000 2.265 237 R HA 0.206 4.545 4.340 -0.001 0.000 0.194 237 R C 0.937 177.231 176.300 -0.010 0.000 0.931 237 R CA 0.373 56.468 56.100 -0.008 0.000 1.032 237 R CB 0.312 30.606 30.300 -0.010 0.000 0.980 237 R HN 0.199 nan 8.270 nan 0.000 0.497 238 I N -3.486 117.078 120.570 -0.009 0.000 2.934 238 I HA 0.373 4.542 4.170 -0.001 0.000 0.306 238 I C 0.346 176.459 176.117 -0.007 0.000 1.110 238 I CA -1.122 60.170 61.300 -0.013 0.000 1.019 238 I CB 2.422 40.411 38.000 -0.019 0.000 1.227 238 I HN -0.245 nan 8.210 nan 0.000 0.434 239 R N 0.801 121.294 120.500 -0.011 0.000 2.223 239 R HA 0.170 4.509 4.340 -0.001 0.000 0.198 239 R C 0.135 176.436 176.300 0.001 0.000 0.984 239 R CA 0.211 56.307 56.100 -0.007 0.000 1.018 239 R CB 0.044 30.335 30.300 -0.016 0.000 0.945 239 R HN 0.676 nan 8.270 nan 0.000 0.479 240 T N 3.930 118.484 114.554 0.000 0.000 2.902 240 T HA 0.098 4.447 4.350 -0.001 0.000 0.301 240 T C -2.330 172.394 174.700 0.039 0.000 1.012 240 T CA -0.877 61.232 62.100 0.014 0.000 1.151 240 T CB 0.991 69.864 68.868 0.007 0.000 0.946 240 T HN -0.053 nan 8.240 nan 0.000 0.542 241 P HA 0.172 nan 4.420 nan 0.000 0.269 241 P C -0.477 176.896 177.300 0.122 0.000 1.209 241 P CA -0.200 62.953 63.100 0.087 0.000 0.776 241 P CB 0.435 32.203 31.700 0.113 0.000 0.876 242 L N 2.145 123.424 121.223 0.094 0.000 2.325 242 L HA 0.480 4.819 4.340 -0.001 0.000 0.279 242 L C 0.236 177.138 176.870 0.054 0.000 1.054 242 L CA -0.682 54.219 54.840 0.102 0.000 0.804 242 L CB 1.490 43.608 42.059 0.097 0.000 1.200 242 L HN 0.426 nan 8.230 nan 0.000 0.436 243 C N 4.708 124.035 119.300 0.044 0.000 2.345 243 C HA 0.592 5.051 4.460 -0.001 0.000 0.323 243 C C -0.202 174.726 174.990 -0.104 0.000 1.276 243 C CA -0.714 58.251 59.018 -0.090 0.000 1.543 243 C CB 0.449 28.026 27.740 -0.272 0.000 2.211 243 C HN 0.545 nan 8.230 nan 0.000 0.493 244 L N 5.568 126.689 121.223 -0.170 0.000 2.334 244 L HA 0.483 4.822 4.340 -0.001 0.000 0.277 244 L C 0.565 177.336 176.870 -0.165 0.000 1.075 244 L CA 0.619 55.340 54.840 -0.199 0.000 0.804 244 L CB 1.250 43.176 42.059 -0.222 0.000 1.174 244 L HN 0.850 nan 8.230 nan 0.000 0.438 245 D N 0.771 121.109 120.400 -0.103 0.000 3.028 245 D HA -0.004 4.635 4.640 -0.001 0.000 0.205 245 D C 1.194 177.497 176.300 0.004 0.000 1.489 245 D CA 0.300 54.272 54.000 -0.047 0.000 1.452 245 D CB 0.404 41.232 40.800 0.046 0.000 1.052 245 D HN 0.440 nan 8.370 nan 0.000 0.221 246 E N 0.228 120.459 120.200 0.051 0.000 2.268 246 E HA -0.055 4.294 4.350 -0.001 0.000 0.195 246 E C 1.843 178.499 176.600 0.094 0.000 0.995 246 E CA 1.272 57.710 56.400 0.064 0.000 0.836 246 E CB -0.084 29.664 29.700 0.080 0.000 0.763 246 E HN 0.303 nan 8.360 nan 0.000 0.491 247 S N -0.628 115.081 115.700 0.014 0.000 2.562 247 S HA 0.045 4.514 4.470 -0.001 0.000 0.221 247 S C 0.722 175.288 174.600 -0.056 0.000 0.975 247 S CA -0.203 57.970 58.200 -0.045 0.000 0.918 247 S CB 0.300 63.428 63.200 -0.120 0.000 0.772 247 S HN -0.044 nan 8.310 nan 0.000 0.531 248 V N 1.990 121.874 119.914 -0.050 0.000 2.275 248 V HA 0.704 4.823 4.120 -0.001 0.000 0.272 248 V C 0.552 176.632 176.094 -0.023 0.000 1.028 248 V CA -0.043 62.223 62.300 -0.057 0.000 0.810 248 V CB 0.429 32.194 31.823 -0.098 0.000 1.043 248 V HN 0.456 nan 8.190 nan 0.000 0.453 249 A N 3.701 126.519 122.820 -0.003 0.000 2.503 249 A HA 0.687 5.006 4.320 -0.001 0.000 0.263 249 A C 0.635 178.227 177.584 0.013 0.000 1.258 249 A CA 0.492 52.540 52.037 0.018 0.000 0.936 249 A CB 0.215 19.242 19.000 0.045 0.000 1.070 249 A HN 0.939 nan 8.150 nan 0.000 0.522 250 S N -3.310 112.390 115.700 0.001 0.000 2.615 250 S HA 0.592 5.061 4.470 -0.001 0.000 0.268 250 S C 0.737 175.338 174.600 0.002 0.000 1.146 250 S CA 0.080 58.285 58.200 0.008 0.000 0.818 250 S CB 0.797 64.005 63.200 0.013 0.000 1.111 250 S HN 1.062 nan 8.310 nan 0.000 0.465 251 A N 1.663 124.493 122.820 0.015 0.000 1.933 251 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 251 A C 2.304 179.900 177.584 0.020 0.000 1.175 251 A CA 2.293 54.343 52.037 0.022 0.000 0.628 251 A CB -1.543 17.481 19.000 0.040 0.000 0.814 251 A HN 1.671 nan 8.150 nan 0.000 0.444 252 S N 0.176 115.887 115.700 0.018 0.000 2.402 252 S HA -0.162 4.307 4.470 -0.001 0.000 0.229 252 S C 1.375 175.972 174.600 -0.004 0.000 1.021 252 S CA 1.302 59.512 58.200 0.016 0.000 0.974 252 S CB -0.481 62.729 63.200 0.016 0.000 0.800 252 S HN 0.490 nan 8.310 nan 0.000 0.484 253 D N 2.625 123.015 120.400 -0.016 0.000 2.117 253 D HA 0.033 4.672 4.640 -0.001 0.000 0.197 253 D C 2.282 178.541 176.300 -0.067 0.000 0.987 253 D CA 1.485 55.462 54.000 -0.039 0.000 0.829 253 D CB -0.728 40.049 40.800 -0.039 0.000 0.961 253 D HN 0.544 nan 8.370 nan 0.000 0.460 254 A N 1.199 123.980 122.820 -0.065 0.000 1.877 254 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 254 A C 2.183 179.678 177.584 -0.149 0.000 1.186 254 A CA 1.510 53.483 52.037 -0.106 0.000 0.620 254 A CB -0.439 18.516 19.000 -0.076 0.000 0.822 254 A HN 0.051 nan 8.150 nan 0.000 0.443 255 R N 0.429 120.898 120.500 -0.051 0.000 2.083 255 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 255 R C 1.919 178.164 176.300 -0.092 0.000 1.137 255 R CA 2.227 58.329 56.100 0.003 0.000 0.951 255 R CB -0.486 29.893 30.300 0.132 0.000 0.851 255 R HN 0.597 nan 8.270 nan 0.000 0.434 256 K N -0.033 120.330 120.400 -0.062 0.000 2.057 256 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 256 K C 2.217 178.745 176.600 -0.119 0.000 1.049 256 K CA 1.486 57.736 56.287 -0.062 0.000 0.931 256 K CB -0.237 32.238 32.500 -0.042 0.000 0.714 256 K HN 0.243 nan 8.250 nan 0.000 0.440 257 A N 1.436 124.163 122.820 -0.154 0.000 1.883 257 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 257 A C 2.145 179.579 177.584 -0.249 0.000 1.186 257 A CA 1.458 53.389 52.037 -0.176 0.000 0.624 257 A CB -0.699 18.192 19.000 -0.182 0.000 0.822 257 A HN 0.165 nan 8.150 nan 0.000 0.444 258 L N -1.131 119.829 121.223 -0.438 0.000 2.109 258 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 258 L C 3.038 179.586 176.870 -0.536 0.000 1.086 258 L CA 0.895 55.331 54.840 -0.674 0.000 0.760 258 L CB -0.479 40.771 42.059 -1.348 0.000 0.910 258 L HN 0.417 nan 8.230 nan 0.000 0.437 259 A N -0.004 122.585 122.820 -0.386 0.000 1.930 259 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 259 A C 2.194 179.771 177.584 -0.012 0.000 1.175 259 A CA 1.138 53.174 52.037 -0.003 0.000 0.627 259 A CB -0.559 18.523 19.000 0.137 0.000 0.815 259 A HN 0.359 nan 8.150 nan 0.000 0.443 260 L N -1.151 120.038 121.223 -0.056 0.000 2.376 260 L HA 0.086 4.425 4.340 -0.001 0.000 0.219 260 L C 1.680 178.532 176.870 -0.031 0.000 1.133 260 L CA 0.621 55.442 54.840 -0.032 0.000 0.816 260 L CB -0.347 41.690 42.059 -0.037 0.000 0.933 260 L HN 0.592 nan 8.230 nan 0.000 0.449 261 G N -0.420 108.345 108.800 -0.058 0.000 2.198 261 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.257 261 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.257 261 G C 0.927 175.809 174.900 -0.031 0.000 1.042 261 G CA 0.378 45.453 45.100 -0.042 0.000 0.791 261 G HN 0.436 nan 8.290 nan 0.000 0.502 262 A N -1.052 121.739 122.820 -0.048 0.000 2.066 262 A HA 0.579 4.898 4.320 -0.001 0.000 0.218 262 A C 1.699 179.268 177.584 -0.025 0.000 1.157 262 A CA 1.909 53.938 52.037 -0.015 0.000 0.670 262 A CB 0.120 19.095 19.000 -0.042 0.000 0.804 262 A HN 2.246 nan 8.150 nan 0.000 0.453 263 G N -4.110 104.650 108.800 -0.068 0.000 2.506 263 G HA2 0.450 4.409 3.960 -0.001 0.000 0.292 263 G HA3 0.450 4.409 3.960 -0.001 0.000 0.292 263 G C 0.178 175.034 174.900 -0.073 0.000 1.425 263 G CA 0.216 45.281 45.100 -0.057 0.000 0.788 263 G HN 0.664 nan 8.290 nan 0.000 0.490 264 G N -1.442 107.334 108.800 -0.040 0.000 3.228 264 G HA2 0.487 4.446 3.960 -0.001 0.000 0.245 264 G HA3 0.487 4.446 3.960 -0.001 0.000 0.245 264 G C -0.293 174.587 174.900 -0.034 0.000 1.051 264 G CA 0.430 45.512 45.100 -0.031 0.000 0.809 264 G HN 1.000 nan 8.290 nan 0.000 0.531 265 V N 0.817 120.694 119.914 -0.063 0.000 2.971 265 V HA 0.524 4.643 4.120 -0.001 0.000 0.309 265 V C -1.100 174.898 176.094 -0.160 0.000 1.130 265 V CA -0.807 61.445 62.300 -0.080 0.000 0.964 265 V CB 2.414 34.191 31.823 -0.076 0.000 1.029 265 V HN 0.089 nan 8.190 nan 0.000 0.427 266 I N 2.549 122.996 120.570 -0.204 0.000 2.436 266 I HA 0.389 4.558 4.170 -0.001 0.000 0.289 266 I C 0.025 175.813 176.117 -0.549 0.000 1.010 266 I CA -0.348 60.771 61.300 -0.301 0.000 1.098 266 I CB 1.783 39.630 38.000 -0.253 0.000 1.266 266 I HN 0.739 nan 8.210 nan 0.000 0.434 267 N N 6.392 124.677 118.700 -0.691 0.000 2.399 267 N HA 0.192 4.931 4.740 -0.001 0.000 0.259 267 N C -1.015 174.113 175.510 -0.637 0.000 1.160 267 N CA -0.606 51.740 53.050 -1.173 0.000 0.946 267 N CB 0.601 38.536 38.487 -0.920 0.000 1.156 267 N HN 0.352 nan 8.380 nan 0.000 0.489 268 L N 4.214 125.113 121.223 -0.540 0.000 2.255 268 L HA 0.361 4.700 4.340 -0.001 0.000 0.289 268 L C -0.767 176.023 176.870 -0.133 0.000 1.046 268 L CA -0.215 54.484 54.840 -0.234 0.000 0.816 268 L CB 0.533 42.504 42.059 -0.148 0.000 1.197 268 L HN 0.409 nan 8.230 nan 0.000 0.427 269 K N 4.349 124.685 120.400 -0.105 0.000 2.339 269 K HA 0.232 4.551 4.320 -0.001 0.000 0.264 269 K C 0.714 177.286 176.600 -0.048 0.000 0.986 269 K CA -0.435 55.809 56.287 -0.073 0.000 0.866 269 K CB 2.272 34.724 32.500 -0.082 0.000 1.103 269 K HN 0.531 nan 8.250 nan 0.000 0.441 270 V N 3.245 123.126 119.914 -0.055 0.000 2.332 270 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 270 V C 1.818 177.841 176.094 -0.118 0.000 1.055 270 V CA 2.755 64.996 62.300 -0.099 0.000 1.038 270 V CB -0.153 31.558 31.823 -0.187 0.000 0.651 270 V HN 0.931 nan 8.190 nan 0.000 0.450 271 A N -0.231 122.525 122.820 -0.108 0.000 1.968 271 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 271 A C 2.389 179.958 177.584 -0.025 0.000 1.169 271 A CA 1.471 53.458 52.037 -0.085 0.000 0.638 271 A CB -0.667 18.283 19.000 -0.084 0.000 0.812 271 A HN 0.573 nan 8.150 nan 0.000 0.446 272 R N 0.245 120.746 120.500 0.003 0.000 2.127 272 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 272 R C 1.684 178.005 176.300 0.035 0.000 1.134 272 R CA 2.030 58.162 56.100 0.055 0.000 0.975 272 R CB -0.304 30.056 30.300 0.100 0.000 0.865 272 R HN 0.538 nan 8.270 nan 0.000 0.447 273 V N -3.610 116.309 119.914 0.008 0.000 3.647 273 V HA 0.400 4.519 4.120 -0.001 0.000 0.279 273 V C 0.882 176.982 176.094 0.008 0.000 1.314 273 V CA 0.680 62.985 62.300 0.009 0.000 1.125 273 V CB 0.427 32.250 31.823 0.001 0.000 0.907 273 V HN 0.435 nan 8.190 nan 0.000 0.434 274 G N -1.500 107.298 108.800 -0.003 0.000 2.163 274 G HA2 0.318 4.277 3.960 -0.001 0.000 0.213 274 G HA3 0.318 4.277 3.960 -0.001 0.000 0.213 274 G C 0.967 175.858 174.900 -0.016 0.000 0.991 274 G CA -0.034 45.065 45.100 -0.001 0.000 0.653 274 G HN 2.266 nan 8.290 nan 0.000 0.518 275 G N -1.776 106.989 108.800 -0.057 0.000 2.343 275 G HA2 0.230 4.189 3.960 -0.001 0.000 0.562 275 G HA3 0.230 4.189 3.960 -0.001 0.000 0.562 275 G C 0.217 175.051 174.900 -0.110 0.000 1.269 275 G CA 0.442 45.476 45.100 -0.110 0.000 1.011 275 G HN 0.544 nan 8.290 nan 0.000 0.498 276 H N -0.093 118.971 119.070 -0.011 0.000 2.357 276 H HA 0.049 4.604 4.556 -0.002 0.000 0.301 276 H C 3.080 178.334 175.328 -0.124 0.000 1.082 276 H CA 2.430 58.359 56.048 -0.198 0.000 1.342 276 H CB -0.494 28.867 29.762 -0.667 0.000 1.389 276 H HN 0.729 nan 8.280 nan 0.000 0.511 277 A N 1.024 123.973 122.820 0.215 0.000 1.877 277 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 277 A C 2.382 180.047 177.584 0.135 0.000 1.186 277 A CA 1.907 54.086 52.037 0.236 0.000 0.620 277 A CB -0.323 18.912 19.000 0.392 0.000 0.822 277 A HN 0.349 nan 8.150 nan 0.000 0.443 278 E N 0.128 120.394 120.200 0.110 0.000 2.150 278 E HA -0.080 4.269 4.350 -0.001 0.000 0.193 278 E C 2.147 178.783 176.600 0.060 0.000 0.985 278 E CA 1.371 57.814 56.400 0.072 0.000 0.814 278 E CB -0.224 29.507 29.700 0.051 0.000 0.752 278 E HN 0.497 nan 8.360 nan 0.000 0.466 279 S N -0.016 115.716 115.700 0.053 0.000 2.368 279 S HA -0.168 4.301 4.470 -0.001 0.000 0.225 279 S C 1.895 176.557 174.600 0.104 0.000 1.030 279 S CA 1.275 59.516 58.200 0.068 0.000 0.999 279 S CB -0.293 62.950 63.200 0.073 0.000 0.844 279 S HN 0.279 nan 8.310 nan 0.000 0.459 280 R N 1.128 121.676 120.500 0.079 0.000 2.096 280 R HA -0.023 4.316 4.340 -0.001 0.000 0.235 280 R C 2.396 178.778 176.300 0.136 0.000 1.127 280 R CA 1.186 57.330 56.100 0.072 0.000 0.968 280 R CB -0.075 30.232 30.300 0.011 0.000 0.861 280 R HN 0.296 nan 8.270 nan 0.000 0.440 281 R N -0.336 120.228 120.500 0.106 0.000 2.081 281 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 281 R C 2.299 178.652 176.300 0.088 0.000 1.131 281 R CA 1.588 57.747 56.100 0.097 0.000 0.960 281 R CB -0.401 29.946 30.300 0.078 0.000 0.856 281 R HN 0.089 nan 8.270 nan 0.000 0.436 282 V N 0.490 120.446 119.914 0.070 0.000 2.287 282 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 282 V C 2.269 178.378 176.094 0.025 0.000 1.053 282 V CA 2.343 64.661 62.300 0.031 0.000 1.027 282 V CB -0.710 31.112 31.823 -0.002 0.000 0.646 282 V HN 0.453 nan 8.190 nan 0.000 0.447 283 H N 0.346 119.378 119.070 -0.062 0.000 2.319 283 H HA -0.208 4.347 4.556 -0.001 0.000 0.297 283 H C 1.991 177.292 175.328 -0.044 0.000 1.097 283 H CA 2.317 58.298 56.048 -0.111 0.000 1.285 283 H CB -0.082 29.635 29.762 -0.076 0.000 1.368 283 H HN 0.418 nan 8.280 nan 0.000 0.495 284 D N -0.241 120.225 120.400 0.109 0.000 2.149 284 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 284 D C 2.481 178.793 176.300 0.021 0.000 0.972 284 D CA 1.052 55.088 54.000 0.059 0.000 0.835 284 D CB -0.273 40.611 40.800 0.140 0.000 0.966 284 D HN 0.306 nan 8.370 nan 0.000 0.476 285 V N 1.611 121.559 119.914 0.056 0.000 2.295 285 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 285 V C 2.561 178.761 176.094 0.176 0.000 1.049 285 V CA 1.912 64.283 62.300 0.119 0.000 1.024 285 V CB -0.836 31.062 31.823 0.125 0.000 0.648 285 V HN 0.182 nan 8.190 nan 0.000 0.447 286 A N -0.746 122.100 122.820 0.044 0.000 1.883 286 A HA -0.347 3.972 4.320 -0.001 0.000 0.217 286 A C 2.266 179.860 177.584 0.016 0.000 1.186 286 A CA 2.332 54.374 52.037 0.007 0.000 0.624 286 A CB -0.656 18.268 19.000 -0.126 0.000 0.822 286 A HN 0.623 nan 8.150 nan 0.000 0.444 287 Q N 0.313 120.052 119.800 -0.103 0.000 2.135 287 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 287 Q C 2.147 178.132 176.000 -0.025 0.000 0.981 287 Q CA 2.293 58.031 55.803 -0.109 0.000 0.856 287 Q CB -0.247 28.367 28.738 -0.208 0.000 0.902 287 Q HN 0.787 nan 8.270 nan 0.000 0.425 288 S N -0.931 114.766 115.700 -0.006 0.000 2.447 288 S HA -0.100 4.369 4.470 -0.001 0.000 0.233 288 S C 1.298 175.819 174.600 -0.131 0.000 1.006 288 S CA 0.689 58.847 58.200 -0.070 0.000 0.957 288 S CB -0.364 62.769 63.200 -0.112 0.000 0.773 288 S HN 0.452 nan 8.310 nan 0.000 0.507 289 F N 1.922 121.845 119.950 -0.047 0.000 2.765 289 F HA 0.382 4.909 4.527 -0.002 0.000 0.302 289 F C 1.838 177.617 175.800 -0.036 0.000 1.111 289 F CA 0.160 58.138 58.000 -0.038 0.000 1.359 289 F CB -0.099 38.877 39.000 -0.041 0.000 1.097 289 F HN 0.383 nan 8.300 nan 0.000 0.577 290 G N 1.231 110.091 108.800 0.101 0.000 2.246 290 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.273 290 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.273 290 G C -0.033 174.897 174.900 0.051 0.000 1.055 290 G CA 0.101 45.231 45.100 0.051 0.000 0.851 290 G HN 0.652 nan 8.290 nan 0.000 0.500 291 A N 0.362 123.209 122.820 0.044 0.000 2.342 291 A HA 0.939 5.258 4.320 -0.001 0.000 0.323 291 A C -1.890 175.669 177.584 -0.043 0.000 1.125 291 A CA -1.540 50.499 52.037 0.004 0.000 0.785 291 A CB 2.230 21.217 19.000 -0.022 0.000 1.221 291 A HN 0.203 nan 8.150 nan 0.000 0.463 292 P HA 0.449 nan 4.420 nan 0.000 0.279 292 P C -0.268 176.982 177.300 -0.084 0.000 1.252 292 P CA -0.180 62.895 63.100 -0.042 0.000 0.811 292 P CB 1.454 33.179 31.700 0.043 0.000 1.035 293 V N -1.120 118.690 119.914 -0.174 0.000 3.019 293 V HA 0.844 4.963 4.120 -0.001 0.000 0.317 293 V C -0.787 175.270 176.094 -0.061 0.000 1.094 293 V CA -0.842 61.299 62.300 -0.265 0.000 1.000 293 V CB 2.171 33.668 31.823 -0.543 0.000 1.060 293 V HN 0.807 nan 8.190 nan 0.000 0.443 294 W N 0.014 121.240 121.300 -0.123 0.000 3.083 294 W HA 0.644 5.304 4.660 -0.000 0.000 0.333 294 W C -1.332 175.348 176.519 0.267 0.000 1.217 294 W CA -1.404 56.027 57.345 0.143 0.000 1.170 294 W CB 1.114 30.646 29.460 0.121 0.000 1.437 294 W HN 0.860 nan 8.180 nan 0.000 0.557 295 C N 3.125 122.792 119.300 0.612 0.000 2.349 295 C HA 0.648 5.107 4.460 -0.001 0.000 0.348 295 C C 1.174 176.284 174.990 0.199 0.000 1.223 295 C CA 0.560 59.784 59.018 0.343 0.000 1.746 295 C CB -0.997 26.874 27.740 0.220 0.000 2.360 295 C HN 0.784 nan 8.230 nan 0.000 0.533 296 G N 4.170 112.903 108.800 -0.112 0.000 2.599 296 G HA2 0.567 4.526 3.960 -0.001 0.000 0.264 296 G HA3 0.567 4.526 3.960 -0.001 0.000 0.264 296 G C 0.082 174.984 174.900 0.002 0.000 1.200 296 G CA 0.106 45.147 45.100 -0.098 0.000 0.896 296 G HN 1.168 nan 8.290 nan 0.000 0.536 297 G N -0.903 107.904 108.800 0.011 0.000 2.481 297 G HA2 0.513 4.473 3.960 -0.001 0.000 0.315 297 G HA3 0.513 4.473 3.960 -0.001 0.000 0.315 297 G C -0.194 174.630 174.900 -0.126 0.000 1.231 297 G CA -0.643 44.433 45.100 -0.041 0.000 0.968 297 G HN 0.390 nan 8.290 nan 0.000 0.482 298 M N 2.208 121.719 119.600 -0.149 0.000 3.320 298 M HA 0.207 4.687 4.480 -0.001 0.000 0.414 298 M C 0.132 176.348 176.300 -0.141 0.000 1.553 298 M CA -0.511 54.678 55.300 -0.184 0.000 0.742 298 M CB 0.268 32.747 32.600 -0.202 0.000 1.434 298 M HN 0.521 nan 8.290 nan 0.000 0.505 299 L N 1.663 122.760 121.223 -0.210 0.000 3.597 299 L HA -0.234 4.105 4.340 -0.001 0.000 0.440 299 L C -0.406 176.462 176.870 -0.004 0.000 1.277 299 L CA 0.832 55.509 54.840 -0.271 0.000 0.852 299 L CB -1.140 40.812 42.059 -0.177 0.000 1.708 299 L HN 0.424 nan 8.230 nan 0.000 0.885 300 E N -0.211 119.991 120.200 0.003 0.000 2.366 300 E HA 0.522 4.871 4.350 -0.001 0.000 0.266 300 E C 0.856 177.669 176.600 0.355 0.000 1.051 300 E CA 0.500 56.987 56.400 0.145 0.000 0.884 300 E CB 0.678 30.413 29.700 0.059 0.000 1.006 300 E HN 0.527 nan 8.360 nan 0.000 0.417 301 S N 1.086 116.887 115.700 0.169 0.000 2.612 301 S HA 0.102 4.571 4.470 -0.001 0.000 0.253 301 S C 1.484 176.102 174.600 0.030 0.000 1.346 301 S CA -0.208 57.925 58.200 -0.112 0.000 0.976 301 S CB 0.753 63.752 63.200 -0.335 0.000 0.949 301 S HN 0.632 nan 8.310 nan 0.000 0.584 302 G N 0.108 108.895 108.800 -0.022 0.000 2.448 302 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.219 302 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.219 302 G C 1.255 176.191 174.900 0.060 0.000 1.127 302 G CA 0.729 45.857 45.100 0.047 0.000 0.766 302 G HN 0.603 nan 8.290 nan 0.000 0.552 303 I N 1.772 122.374 120.570 0.052 0.000 2.113 303 I HA -0.095 4.074 4.170 -0.001 0.000 0.238 303 I C 3.050 179.297 176.117 0.217 0.000 1.070 303 I CA 1.614 62.985 61.300 0.118 0.000 1.332 303 I CB -1.560 36.498 38.000 0.096 0.000 1.044 303 I HN 0.229 nan 8.210 nan 0.000 0.402 304 G N 0.189 109.076 108.800 0.144 0.000 2.422 304 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 304 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 304 G C 1.928 176.912 174.900 0.139 0.000 1.146 304 G CA 0.650 45.828 45.100 0.130 0.000 0.769 304 G HN 0.300 nan 8.290 nan 0.000 0.547 305 R N 0.401 120.968 120.500 0.112 0.000 2.081 305 R HA 0.037 4.377 4.340 -0.001 0.000 0.235 305 R C 2.871 179.224 176.300 0.087 0.000 1.131 305 R CA 1.403 57.559 56.100 0.092 0.000 0.960 305 R CB -0.323 30.040 30.300 0.105 0.000 0.856 305 R HN 0.289 nan 8.270 nan 0.000 0.436 306 A N 0.419 123.296 122.820 0.094 0.000 1.902 306 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 306 A C 1.900 179.555 177.584 0.118 0.000 1.181 306 A CA 1.393 53.471 52.037 0.068 0.000 0.623 306 A CB -0.858 18.171 19.000 0.049 0.000 0.818 306 A HN 0.441 nan 8.150 nan 0.000 0.443 307 H N 0.120 119.271 119.070 0.135 0.000 2.353 307 H HA -0.128 4.427 4.556 -0.002 0.000 0.298 307 H C 1.931 177.352 175.328 0.155 0.000 1.103 307 H CA 1.851 58.015 56.048 0.192 0.000 1.293 307 H CB -0.138 29.736 29.762 0.187 0.000 1.372 307 H HN 0.442 nan 8.280 nan 0.000 0.501 308 N N 0.753 119.566 118.700 0.188 0.000 2.120 308 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 308 N C 2.221 177.703 175.510 -0.046 0.000 1.024 308 N CA 0.705 53.789 53.050 0.058 0.000 0.852 308 N CB -0.437 38.070 38.487 0.033 0.000 1.003 308 N HN 0.354 nan 8.380 nan 0.000 0.424 309 I N 0.554 121.091 120.570 -0.054 0.000 2.226 309 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 309 I C 2.194 178.160 176.117 -0.252 0.000 1.100 309 I CA 1.064 62.267 61.300 -0.161 0.000 1.374 309 I CB -0.299 37.596 38.000 -0.175 0.000 1.057 309 I HN 0.256 nan 8.210 nan 0.000 0.413 310 H N 0.068 119.057 119.070 -0.136 0.000 2.321 310 H HA -0.171 4.384 4.556 -0.001 0.000 0.300 310 H C 2.173 177.350 175.328 -0.252 0.000 1.087 310 H CA 1.699 57.634 56.048 -0.189 0.000 1.319 310 H CB -0.244 29.386 29.762 -0.221 0.000 1.379 310 H HN 0.224 nan 8.280 nan 0.000 0.501 311 L N 0.838 121.987 121.223 -0.124 0.000 2.083 311 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 311 L C 2.143 178.635 176.870 -0.629 0.000 1.083 311 L CA 1.383 56.081 54.840 -0.237 0.000 0.752 311 L CB -0.492 41.542 42.059 -0.041 0.000 0.899 311 L HN -0.035 nan 8.230 nan 0.000 0.433 312 S N -1.167 114.092 115.700 -0.735 0.000 2.547 312 S HA -0.118 4.351 4.470 -0.001 0.000 0.235 312 S C 1.725 176.023 174.600 -0.504 0.000 0.980 312 S CA 1.096 58.681 58.200 -1.024 0.000 0.941 312 S CB -0.750 62.139 63.200 -0.518 0.000 0.763 312 S HN 0.794 nan 8.310 nan 0.000 0.532 313 T N -0.228 114.130 114.554 -0.327 0.000 3.072 313 T HA 0.130 4.479 4.350 -0.001 0.000 0.266 313 T C 0.516 175.137 174.700 -0.130 0.000 1.127 313 T CA 0.081 62.070 62.100 -0.184 0.000 1.107 313 T CB -0.415 68.362 68.868 -0.152 0.000 0.910 313 T HN 0.001 nan 8.240 nan 0.000 0.513 314 L N 2.937 124.103 121.223 -0.096 0.000 2.452 314 L HA 0.274 4.613 4.340 -0.001 0.000 0.267 314 L C 1.875 178.895 176.870 0.250 0.000 1.188 314 L CA 0.322 55.161 54.840 -0.001 0.000 0.821 314 L CB 0.807 42.723 42.059 -0.238 0.000 1.102 314 L HN 0.336 nan 8.230 nan 0.000 0.470 315 S N 0.177 116.022 115.700 0.242 0.000 2.453 315 S HA -0.105 4.364 4.470 -0.001 0.000 0.231 315 S C 1.215 175.970 174.600 0.258 0.000 1.005 315 S CA 0.917 59.235 58.200 0.197 0.000 0.949 315 S CB -0.479 62.787 63.200 0.111 0.000 0.774 315 S HN 0.760 nan 8.310 nan 0.000 0.510 316 N N -0.184 118.767 118.700 0.419 0.000 2.322 316 N HA 0.124 4.863 4.740 -0.001 0.000 0.194 316 N C -0.967 174.547 175.510 0.008 0.000 1.126 316 N CA -0.227 52.819 53.050 -0.006 0.000 0.845 316 N CB 0.011 38.138 38.487 -0.600 0.000 0.976 316 N HN 0.331 nan 8.380 nan 0.000 0.475 317 F N 1.345 121.420 119.950 0.209 0.000 2.678 317 F HA 0.214 4.740 4.527 -0.002 0.000 0.358 317 F C 1.323 177.202 175.800 0.132 0.000 1.256 317 F CA -0.063 58.038 58.000 0.169 0.000 1.278 317 F CB 0.252 39.337 39.000 0.140 0.000 1.681 317 F HN -0.111 nan 8.300 nan 0.000 0.661 318 R N 1.061 121.677 120.500 0.193 0.000 2.334 318 R HA 0.301 4.640 4.340 -0.001 0.000 0.216 318 R C -0.171 176.215 176.300 0.144 0.000 0.905 318 R CA 0.138 56.324 56.100 0.143 0.000 1.064 318 R CB 0.384 30.735 30.300 0.086 0.000 1.046 318 R HN 0.392 nan 8.270 nan 0.000 0.508 319 L N 0.537 121.880 121.223 0.200 0.000 2.341 319 L HA 0.509 4.849 4.340 -0.001 0.000 0.267 319 L C -2.441 174.543 176.870 0.190 0.000 1.009 319 L CA -2.682 52.251 54.840 0.156 0.000 0.819 319 L CB 2.048 44.192 42.059 0.143 0.000 1.323 319 L HN -0.263 nan 8.230 nan 0.000 0.425 320 P HA 0.170 nan 4.420 nan 0.000 0.272 320 P C -0.482 176.924 177.300 0.177 0.000 1.223 320 P CA -0.201 62.963 63.100 0.106 0.000 0.784 320 P CB 0.689 32.411 31.700 0.037 0.000 0.923 321 G N 0.282 109.225 108.800 0.239 0.000 2.471 321 G HA2 0.290 4.249 3.960 -0.001 0.000 0.332 321 G HA3 0.290 4.249 3.960 -0.001 0.000 0.332 321 G C -0.752 174.305 174.900 0.262 0.000 1.176 321 G CA -0.475 44.838 45.100 0.354 0.000 0.949 321 G HN 0.306 nan 8.290 nan 0.000 0.488 322 D N 1.182 121.772 120.400 0.316 0.000 2.845 322 D HA 0.176 4.815 4.640 -0.001 0.000 0.235 322 D C 0.871 177.259 176.300 0.146 0.000 1.158 322 D CA 0.159 54.287 54.000 0.212 0.000 0.990 322 D CB 0.222 41.160 40.800 0.230 0.000 1.094 322 D HN 0.388 nan 8.370 nan 0.000 0.486 323 T N -2.466 112.174 114.554 0.143 0.000 3.516 323 T HA 0.246 4.596 4.350 -0.001 0.000 0.245 323 T C 0.659 175.446 174.700 0.146 0.000 1.077 323 T CA -0.764 61.403 62.100 0.112 0.000 1.222 323 T CB -0.034 68.874 68.868 0.066 0.000 1.045 323 T HN 0.038 nan 8.240 nan 0.000 0.585 324 S N 1.000 116.830 115.700 0.215 0.000 2.641 324 S HA 0.490 4.959 4.470 -0.001 0.000 0.261 324 S C 0.430 175.183 174.600 0.255 0.000 1.257 324 S CA -0.629 57.725 58.200 0.256 0.000 0.983 324 S CB 0.339 63.736 63.200 0.327 0.000 0.990 324 S HN 0.433 nan 8.310 nan 0.000 0.572 325 S N 0.894 116.708 115.700 0.189 0.000 2.546 325 S HA 0.299 4.768 4.470 -0.001 0.000 0.290 325 S C 1.568 176.304 174.600 0.228 0.000 1.290 325 S CA -0.126 58.163 58.200 0.148 0.000 1.069 325 S CB 0.419 63.663 63.200 0.073 0.000 0.846 325 S HN 0.960 nan 8.310 nan 0.000 0.495 326 A N 3.450 126.420 122.820 0.250 0.000 1.978 326 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 326 A C 2.289 180.056 177.584 0.305 0.000 1.170 326 A CA 1.801 54.066 52.037 0.379 0.000 0.636 326 A CB -0.984 18.216 19.000 0.334 0.000 0.810 326 A HN 0.937 nan 8.150 nan 0.000 0.448 327 S N -0.271 115.520 115.700 0.152 0.000 2.500 327 S HA -0.129 4.340 4.470 -0.001 0.000 0.239 327 S C 1.729 176.300 174.600 -0.049 0.000 0.989 327 S CA 0.989 59.232 58.200 0.072 0.000 0.951 327 S CB -0.441 62.782 63.200 0.038 0.000 0.759 327 S HN 0.651 nan 8.310 nan 0.000 0.523 328 R N -0.605 119.788 120.500 -0.179 0.000 2.189 328 R HA 0.079 4.418 4.340 -0.001 0.000 0.218 328 R C 1.210 177.102 176.300 -0.679 0.000 1.074 328 R CA 1.358 57.177 56.100 -0.467 0.000 0.991 328 R CB -0.240 29.642 30.300 -0.696 0.000 0.883 328 R HN 0.608 nan 8.270 nan 0.000 0.457 329 Y N -2.267 117.872 120.300 -0.269 0.000 2.607 329 Y HA 0.139 4.688 4.550 -0.002 0.000 0.276 329 Y C 0.335 175.822 175.900 -0.688 0.000 1.117 329 Y CA -0.419 57.296 58.100 -0.642 0.000 1.273 329 Y CB 0.502 38.341 38.460 -1.035 0.000 1.282 329 Y HN -0.065 nan 8.280 nan 0.000 0.514 330 W N 0.192 121.582 121.300 0.150 0.000 2.702 330 W HA 0.428 5.087 4.660 -0.001 0.000 0.331 330 W C 0.860 177.402 176.519 0.038 0.000 1.049 330 W CA -0.769 56.633 57.345 0.096 0.000 1.230 330 W CB 1.401 30.930 29.460 0.115 0.000 1.408 330 W HN -0.267 nan 8.180 nan 0.000 0.492 331 E N 1.516 121.863 120.200 0.245 0.000 2.152 331 E HA -0.059 4.291 4.350 -0.001 0.000 0.192 331 E C 0.182 176.829 176.600 0.079 0.000 0.983 331 E CA 1.175 57.646 56.400 0.119 0.000 0.818 331 E CB 0.265 30.013 29.700 0.080 0.000 0.758 331 E HN 0.346 nan 8.360 nan 0.000 0.467 332 R N 0.163 120.722 120.500 0.098 0.000 2.533 332 R HA 0.210 4.549 4.340 -0.001 0.000 0.288 332 R C -1.450 174.832 176.300 -0.031 0.000 1.039 332 R CA -0.677 55.357 56.100 -0.111 0.000 0.909 332 R CB 1.092 31.093 30.300 -0.499 0.000 1.195 332 R HN -0.022 nan 8.270 nan 0.000 0.438 333 D N 2.648 123.015 120.400 -0.056 0.000 2.387 333 D HA 0.148 4.787 4.640 -0.001 0.000 0.251 333 D C 0.659 176.958 176.300 -0.002 0.000 1.141 333 D CA -0.450 53.505 54.000 -0.074 0.000 0.987 333 D CB 1.358 42.152 40.800 -0.010 0.000 1.116 333 D HN 0.413 nan 8.370 nan 0.000 0.491 334 L N 0.111 121.336 121.223 0.003 0.000 2.653 334 L HA 0.349 4.688 4.340 -0.001 0.000 0.231 334 L C 0.562 177.477 176.870 0.074 0.000 1.153 334 L CA -0.173 54.755 54.840 0.146 0.000 0.933 334 L CB -1.250 40.832 42.059 0.039 0.000 1.175 334 L HN 0.293 nan 8.230 nan 0.000 0.473 335 I N -3.764 116.821 120.570 0.025 0.000 2.822 335 I HA 0.445 4.614 4.170 -0.001 0.000 0.312 335 I C 0.745 176.869 176.117 0.012 0.000 1.011 335 I CA -0.729 60.585 61.300 0.022 0.000 1.105 335 I CB 1.406 39.415 38.000 0.015 0.000 1.291 335 I HN -0.065 nan 8.210 nan 0.000 0.474 336 Q N 0.744 120.552 119.800 0.013 0.000 2.311 336 Q HA 0.039 4.378 4.340 -0.001 0.000 0.203 336 Q C -0.407 175.591 176.000 -0.003 0.000 0.954 336 Q CA 0.953 56.758 55.803 0.003 0.000 0.885 336 Q CB 0.085 28.828 28.738 0.008 0.000 0.963 336 Q HN 0.639 nan 8.270 nan 0.000 0.471 337 E N 1.784 121.987 120.200 0.004 0.000 2.197 337 E HA 0.183 4.532 4.350 -0.001 0.000 0.281 337 E C -2.403 174.204 176.600 0.012 0.000 0.995 337 E CA -2.272 54.131 56.400 0.005 0.000 0.808 337 E CB 0.866 30.570 29.700 0.007 0.000 1.093 337 E HN -0.005 nan 8.360 nan 0.000 0.394 338 P HA 0.117 nan 4.420 nan 0.000 0.281 338 P C -0.817 176.499 177.300 0.028 0.000 1.252 338 P CA -0.161 62.952 63.100 0.022 0.000 0.778 338 P CB 0.657 32.364 31.700 0.013 0.000 0.895 339 L N 3.840 125.093 121.223 0.051 0.000 2.321 339 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 339 L C 0.443 177.348 176.870 0.060 0.000 1.050 339 L CA -0.163 54.707 54.840 0.050 0.000 0.893 339 L CB 0.600 42.701 42.059 0.069 0.000 1.272 339 L HN 0.214 nan 8.230 nan 0.000 0.435 340 E N 2.775 122.994 120.200 0.032 0.000 2.218 340 E HA 0.516 4.865 4.350 -0.001 0.000 0.263 340 E C -0.632 175.968 176.600 0.000 0.000 0.879 340 E CA -0.479 55.936 56.400 0.025 0.000 0.762 340 E CB 2.651 32.359 29.700 0.014 0.000 1.166 340 E HN 0.501 nan 8.360 nan 0.000 0.415 341 A N 2.370 125.187 122.820 -0.005 0.000 2.340 341 A HA 0.567 4.886 4.320 -0.001 0.000 0.268 341 A C -0.181 177.354 177.584 -0.081 0.000 1.100 341 A CA -0.431 51.580 52.037 -0.043 0.000 0.803 341 A CB 0.712 19.682 19.000 -0.049 0.000 1.043 341 A HN 0.324 nan 8.150 nan 0.000 0.488 342 V N 2.118 121.978 119.914 -0.090 0.000 2.577 342 V HA 0.377 4.496 4.120 -0.001 0.000 0.303 342 V C -0.117 175.908 176.094 -0.115 0.000 1.042 342 V CA 0.225 62.468 62.300 -0.095 0.000 0.872 342 V CB 1.325 33.112 31.823 -0.059 0.000 0.998 342 V HN 1.154 nan 8.190 nan 0.000 0.423 343 D N 4.090 124.403 120.400 -0.145 0.000 2.708 343 D HA -0.165 4.474 4.640 -0.001 0.000 0.236 343 D C 1.200 177.408 176.300 -0.154 0.000 1.146 343 D CA 2.092 56.011 54.000 -0.135 0.000 0.662 343 D CB -1.045 39.709 40.800 -0.077 0.000 1.059 343 D HN 1.662 nan 8.370 nan 0.000 0.428 344 G N -1.306 107.342 108.800 -0.254 0.000 2.148 344 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.254 344 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.254 344 G C 0.228 175.073 174.900 -0.092 0.000 0.981 344 G CA 0.425 45.401 45.100 -0.206 0.000 0.670 344 G HN 0.611 nan 8.290 nan 0.000 0.528 345 L N -0.316 120.855 121.223 -0.086 0.000 2.349 345 L HA 0.711 5.050 4.340 -0.001 0.000 0.278 345 L C 0.018 176.861 176.870 -0.045 0.000 0.996 345 L CA -1.085 53.726 54.840 -0.047 0.000 0.825 345 L CB 1.874 43.909 42.059 -0.040 0.000 1.243 345 L HN 0.158 nan 8.230 nan 0.000 0.412 346 M N 6.741 126.323 119.600 -0.031 0.000 2.088 346 M HA 0.509 4.988 4.480 -0.001 0.000 0.346 346 M C -2.525 173.747 176.300 -0.047 0.000 1.111 346 M CA -2.085 53.197 55.300 -0.029 0.000 1.017 346 M CB 1.134 33.727 32.600 -0.013 0.000 1.568 346 M HN 0.071 nan 8.290 nan 0.000 0.445 347 P HA 0.098 nan 4.420 nan 0.000 0.271 347 P C -0.934 176.310 177.300 -0.094 0.000 1.218 347 P CA -0.382 62.682 63.100 -0.059 0.000 0.780 347 P CB 0.381 32.055 31.700 -0.043 0.000 0.901 348 V N 5.349 125.187 119.914 -0.125 0.000 2.479 348 V HA 0.119 4.239 4.120 -0.001 0.000 0.281 348 V C -1.626 174.378 176.094 -0.149 0.000 1.031 348 V CA -1.129 61.039 62.300 -0.219 0.000 1.038 348 V CB -0.011 31.663 31.823 -0.247 0.000 0.981 348 V HN 0.597 nan 8.190 nan 0.000 0.478 349 P HA 0.192 nan 4.420 nan 0.000 0.271 349 P C -0.772 176.539 177.300 0.018 0.000 1.226 349 P CA -0.460 62.617 63.100 -0.037 0.000 0.765 349 P CB 0.613 32.307 31.700 -0.010 0.000 0.835 350 Q N 1.583 121.390 119.800 0.011 0.000 2.394 350 Q HA 0.591 4.930 4.340 -0.001 0.000 0.248 350 Q C 0.993 177.006 176.000 0.022 0.000 0.992 350 Q CA 0.361 56.175 55.803 0.019 0.000 0.888 350 Q CB 0.254 28.993 28.738 0.002 0.000 1.257 350 Q HN 0.858 nan 8.270 nan 0.000 0.462 351 G N 0.656 109.463 108.800 0.012 0.000 2.371 351 G HA2 0.013 3.972 3.960 -0.001 0.000 0.663 351 G HA3 0.013 3.972 3.960 -0.001 0.000 0.663 351 G C -2.997 171.878 174.900 -0.041 0.000 1.311 351 G CA -0.997 44.094 45.100 -0.014 0.000 0.985 351 G HN 0.558 nan 8.290 nan 0.000 0.566 352 P HA 0.495 nan 4.420 nan 0.000 0.276 352 P C 1.252 178.457 177.300 -0.157 0.000 1.244 352 P CA 1.535 64.568 63.100 -0.111 0.000 0.801 352 P CB 0.994 32.634 31.700 -0.101 0.000 1.006 353 G N 2.009 110.679 108.800 -0.217 0.000 2.611 353 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.301 353 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.301 353 G C 1.106 175.718 174.900 -0.481 0.000 1.233 353 G CA 1.222 46.154 45.100 -0.279 0.000 0.993 353 G HN 0.714 nan 8.290 nan 0.000 0.553 354 T N -0.879 113.437 114.554 -0.397 0.000 3.007 354 T HA 0.324 4.673 4.350 -0.001 0.000 0.270 354 T C 2.728 177.416 174.700 -0.021 0.000 1.107 354 T CA 1.885 63.775 62.100 -0.350 0.000 1.118 354 T CB -0.414 68.267 68.868 -0.312 0.000 0.889 354 T HN 2.792 nan 8.240 nan 0.000 0.506 355 G N 0.709 109.479 108.800 -0.051 0.000 2.155 355 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.257 355 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.257 355 G C 0.179 175.089 174.900 0.018 0.000 0.983 355 G CA 0.514 45.630 45.100 0.026 0.000 0.676 355 G HN 1.617 nan 8.290 nan 0.000 0.528 356 V N -3.727 116.184 119.914 -0.004 0.000 3.074 356 V HA 1.006 5.125 4.120 -0.001 0.000 0.314 356 V C -0.135 175.956 176.094 -0.005 0.000 1.117 356 V CA -0.255 62.046 62.300 0.001 0.000 1.014 356 V CB 2.236 34.066 31.823 0.011 0.000 1.057 356 V HN 0.595 nan 8.190 nan 0.000 0.438 357 T N 3.103 117.659 114.554 0.004 0.000 2.928 357 T HA 0.562 4.911 4.350 -0.001 0.000 0.296 357 T C -0.389 174.321 174.700 0.017 0.000 1.000 357 T CA -0.437 61.667 62.100 0.007 0.000 0.989 357 T CB 1.272 70.144 68.868 0.007 0.000 1.005 357 T HN 0.771 nan 8.240 nan 0.000 0.442 358 L N 2.713 123.948 121.223 0.020 0.000 2.514 358 L HA 0.127 4.466 4.340 -0.001 0.000 0.280 358 L C 0.722 177.618 176.870 0.043 0.000 1.223 358 L CA -0.087 54.771 54.840 0.030 0.000 0.864 358 L CB 0.297 42.372 42.059 0.027 0.000 1.118 358 L HN 0.646 nan 8.230 nan 0.000 0.494 359 D N 3.169 123.610 120.400 0.068 0.000 2.468 359 D HA 0.068 4.707 4.640 -0.001 0.000 0.218 359 D C 1.002 177.361 176.300 0.098 0.000 1.155 359 D CA -0.331 53.724 54.000 0.092 0.000 0.924 359 D CB 0.668 41.546 40.800 0.131 0.000 1.029 359 D HN 0.282 nan 8.370 nan 0.000 0.515 360 R N 2.414 122.952 120.500 0.063 0.000 2.115 360 R HA -0.048 4.291 4.340 -0.001 0.000 0.230 360 R C 1.542 177.865 176.300 0.038 0.000 1.111 360 R CA 0.664 56.789 56.100 0.041 0.000 0.976 360 R CB -0.025 30.296 30.300 0.035 0.000 0.870 360 R HN 0.610 nan 8.270 nan 0.000 0.445 361 E N -0.381 119.857 120.200 0.063 0.000 2.051 361 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 361 E C 1.690 178.345 176.600 0.092 0.000 0.991 361 E CA 1.061 57.501 56.400 0.067 0.000 0.799 361 E CB -0.219 29.527 29.700 0.077 0.000 0.748 361 E HN 0.153 nan 8.360 nan 0.000 0.449 362 F N 1.613 121.562 119.950 -0.003 0.000 2.146 362 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 362 F C 2.119 177.912 175.800 -0.010 0.000 1.096 362 F CA 0.822 58.819 58.000 -0.005 0.000 1.275 362 F CB -0.342 38.653 39.000 -0.009 0.000 1.008 362 F HN -0.015 nan 8.300 nan 0.000 0.480 363 L N 1.176 122.298 121.223 -0.168 0.000 2.042 363 L HA -0.101 4.238 4.340 -0.001 0.000 0.210 363 L C 2.420 179.147 176.870 -0.239 0.000 1.076 363 L CA 2.185 56.871 54.840 -0.257 0.000 0.749 363 L CB -1.489 40.517 42.059 -0.088 0.000 0.893 363 L HN 0.173 nan 8.230 nan 0.000 0.432 364 A N -1.152 121.585 122.820 -0.138 0.000 1.978 364 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 364 A C 2.339 179.844 177.584 -0.131 0.000 1.170 364 A CA 2.272 54.248 52.037 -0.101 0.000 0.636 364 A CB -1.402 17.570 19.000 -0.048 0.000 0.810 364 A HN 0.661 nan 8.150 nan 0.000 0.448 365 T N -2.266 112.178 114.554 -0.183 0.000 3.007 365 T HA 0.017 4.366 4.350 -0.001 0.000 0.270 365 T C 1.035 175.615 174.700 -0.200 0.000 1.107 365 T CA 1.433 63.438 62.100 -0.159 0.000 1.118 365 T CB -0.487 68.316 68.868 -0.110 0.000 0.889 365 T HN 0.898 nan 8.240 nan 0.000 0.506 366 V N -2.170 117.562 119.914 -0.302 0.000 3.159 366 V HA 0.421 4.541 4.120 -0.001 0.000 0.333 366 V C 0.195 176.192 176.094 -0.162 0.000 1.424 366 V CA -0.711 61.448 62.300 -0.235 0.000 1.125 366 V CB -0.450 31.174 31.823 -0.332 0.000 1.075 366 V HN 0.188 nan 8.190 nan 0.000 0.482 367 T N 1.778 116.250 114.554 -0.137 0.000 2.749 367 T HA 0.305 4.654 4.350 -0.001 0.000 0.295 367 T C 0.953 175.612 174.700 -0.069 0.000 0.936 367 T CA 0.152 62.196 62.100 -0.094 0.000 1.060 367 T CB 1.533 70.354 68.868 -0.079 0.000 0.904 367 T HN 0.533 nan 8.240 nan 0.000 0.500 368 E N 1.691 121.856 120.200 -0.058 0.000 2.140 368 E HA 0.255 4.604 4.350 -0.001 0.000 0.191 368 E C 0.654 177.233 176.600 -0.035 0.000 0.973 368 E CA 0.139 56.511 56.400 -0.047 0.000 0.829 368 E CB 0.369 30.043 29.700 -0.043 0.000 0.781 368 E HN 0.675 nan 8.360 nan 0.000 0.466 369 A N 1.125 123.927 122.820 -0.030 0.000 2.604 369 A HA 0.460 4.779 4.320 -0.001 0.000 0.295 369 A C -1.483 176.093 177.584 -0.013 0.000 1.067 369 A CA -0.802 51.223 52.037 -0.020 0.000 0.683 369 A CB 1.626 20.618 19.000 -0.013 0.000 1.281 369 A HN 0.081 nan 8.150 nan 0.000 0.407 370 Q N 0.545 120.340 119.800 -0.008 0.000 2.482 370 Q HA 0.756 5.095 4.340 -0.001 0.000 0.286 370 Q C -1.368 174.634 176.000 0.003 0.000 1.007 370 Q CA -0.819 54.986 55.803 0.003 0.000 0.801 370 Q CB 2.106 30.843 28.738 -0.001 0.000 1.455 370 Q HN 0.901 nan 8.270 nan 0.000 0.398 371 E N 0.378 120.588 120.200 0.018 0.000 2.407 371 E HA 0.519 4.868 4.350 -0.001 0.000 0.279 371 E C -1.554 175.041 176.600 -0.009 0.000 1.012 371 E CA -0.919 55.469 56.400 -0.020 0.000 0.800 371 E CB 2.535 32.236 29.700 0.001 0.000 1.276 371 E HN 0.662 nan 8.360 nan 0.000 0.452 372 E N 0.711 120.833 120.200 -0.129 0.000 2.288 372 E HA 0.429 4.778 4.350 -0.001 0.000 0.268 372 E C -1.665 174.762 176.600 -0.287 0.000 0.885 372 E CA -0.697 55.658 56.400 -0.075 0.000 0.767 372 E CB 1.663 31.335 29.700 -0.046 0.000 1.220 372 E HN 0.569 nan 8.360 nan 0.000 0.427 373 H N 1.497 120.590 119.070 0.039 0.000 2.679 373 H HA 0.538 5.093 4.556 -0.001 0.000 0.360 373 H C -0.599 174.757 175.328 0.046 0.000 1.105 373 H CA -0.675 55.396 56.048 0.038 0.000 1.196 373 H CB 1.626 31.414 29.762 0.043 0.000 1.636 373 H HN 0.311 nan 8.280 nan 0.000 0.531 374 R N 0.947 121.530 120.500 0.137 0.000 2.905 374 R HA 0.778 5.118 4.340 -0.001 0.000 0.260 374 R C -0.420 175.938 176.300 0.097 0.000 1.086 374 R CA -1.184 54.976 56.100 0.100 0.000 0.978 374 R CB 1.884 32.215 30.300 0.052 0.000 1.215 374 R HN 0.655 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.867 122.820 0.078 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 375 A CA 0.000 52.076 52.037 0.065 0.000 0.836 375 A CB 0.000 19.031 19.000 0.052 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486