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 1e6p_1_A DATA FIRST_RESID 2 DATA SEQUENCE STRKAVIGYY FIPTNQINNY TETDTSVVPF PVSNITPAKA KQLTHINFSF DATA SEQUENCE LDINSNLECA WDPATNDAKA RDVVNRLTAL KAHNPSLRIM FSIGGWYYSN DATA SEQUENCE DLGVSHANYV NAVKTPASRA KFAQSCVRIM KDYGFDGVDI DWQYPQAAEV DATA SEQUENCE DGFIAALQEI RTLLNQQTIT DGRQALPYQL TIAGAGGAFF LSRYYSKLAQ DATA SEQUENCE IVAPLDYINL MTYDLAGPWE KVTNHQAALF GDAAGPTFYN ALREANLGWS DATA SEQUENCE WEELTRAFPS PFSLTVDAAV QQHLMMEGVP SAKIVMGVPF YGRAFKGVSG DATA SEQUENCE GNGGQYSSHS TPGEDPYPST DYWLVGCEEC VRDKDPRIAS YRQLEQMLQG DATA SEQUENCE NYGYQRLWND KTKTPYLYHA QNGLFVTYDD AESFKYKAKY IKQQQLGGVM DATA SEQUENCE FWHLGQDNRN GDLLAALDRY FNAADYDDSQ LDMGTGLRYT GVGPGNLPIM DATA SEQUENCE TAPAYVPGTT YAQGALVSYQ GYVWQTKWGY ITSAPGSDSA WLKVGRVA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.219 63.200 0.033 0.000 0.593 3 T N 3.697 118.264 114.554 0.022 0.000 2.928 3 T HA 0.239 4.589 4.350 -0.000 0.000 0.305 3 T C 0.232 174.939 174.700 0.012 0.000 1.035 3 T CA 0.071 62.185 62.100 0.023 0.000 1.145 3 T CB 0.500 69.384 68.868 0.027 0.000 0.963 3 T HN 0.472 nan 8.240 nan 0.000 0.545 4 R N 2.579 123.091 120.500 0.020 0.000 2.570 4 R HA 0.039 4.378 4.340 -0.000 0.000 0.277 4 R C 0.023 176.294 176.300 -0.048 0.000 1.039 4 R CA -0.294 55.809 56.100 0.004 0.000 1.065 4 R CB 0.338 30.657 30.300 0.032 0.000 0.964 4 R HN 0.357 nan 8.270 nan 0.000 0.428 5 K N 2.557 122.853 120.400 -0.172 0.000 2.350 5 K HA 0.132 4.452 4.320 -0.000 0.000 0.279 5 K C -0.245 176.226 176.600 -0.215 0.000 1.027 5 K CA -0.045 56.029 56.287 -0.354 0.000 0.969 5 K CB 1.349 33.224 32.500 -1.041 0.000 0.954 5 K HN 0.715 nan 8.250 nan 0.000 0.474 6 A N 2.151 124.856 122.820 -0.193 0.000 2.462 6 A HA 0.303 4.623 4.320 -0.000 0.000 0.243 6 A C -0.253 177.283 177.584 -0.079 0.000 1.076 6 A CA -0.393 51.556 52.037 -0.146 0.000 0.773 6 A CB 0.368 19.070 19.000 -0.497 0.000 1.010 6 A HN 0.363 nan 8.150 nan 0.000 0.493 7 V N 4.364 124.311 119.914 0.055 0.000 2.398 7 V HA 0.269 4.389 4.120 -0.000 0.000 0.282 7 V C -0.544 175.601 176.094 0.085 0.000 1.014 7 V CA 0.056 62.448 62.300 0.154 0.000 0.838 7 V CB 0.751 32.729 31.823 0.259 0.000 1.018 7 V HN 0.707 nan 8.190 nan 0.000 0.432 8 I N 4.219 124.748 120.570 -0.069 0.000 2.330 8 I HA 0.594 4.764 4.170 -0.000 0.000 0.286 8 I C 0.831 176.591 176.117 -0.596 0.000 1.025 8 I CA -0.182 60.974 61.300 -0.240 0.000 1.197 8 I CB 1.602 39.407 38.000 -0.325 0.000 1.358 8 I HN 0.644 nan 8.210 nan 0.000 0.467 9 G N 5.308 113.670 108.800 -0.730 0.000 2.372 9 G HA2 0.482 4.441 3.960 -0.000 0.000 0.323 9 G HA3 0.482 4.441 3.960 -0.000 0.000 0.323 9 G C -1.163 173.405 174.900 -0.554 0.000 1.152 9 G CA -0.327 43.962 45.100 -1.352 0.000 0.906 9 G HN 0.333 nan 8.290 nan 0.000 0.460 10 Y N 0.807 120.822 120.300 -0.474 0.000 2.359 10 Y HA 0.266 4.816 4.550 -0.000 0.000 0.330 10 Y C -0.196 175.606 175.900 -0.164 0.000 1.143 10 Y CA 0.294 58.270 58.100 -0.207 0.000 1.318 10 Y CB 1.193 39.589 38.460 -0.108 0.000 1.234 10 Y HN 0.526 nan 8.280 nan 0.000 0.522 11 Y N 6.071 126.337 120.300 -0.056 0.000 2.388 11 Y HA 0.365 4.915 4.550 -0.000 0.000 0.328 11 Y C -1.692 174.086 175.900 -0.203 0.000 0.963 11 Y CA -1.712 56.373 58.100 -0.024 0.000 1.240 11 Y CB 0.241 38.777 38.460 0.127 0.000 1.118 11 Y HN 0.498 nan 8.280 nan 0.000 0.484 12 F N 8.276 127.648 119.950 -0.963 0.000 2.436 12 F HA 0.686 5.213 4.527 -0.000 0.000 0.340 12 F C -1.556 173.776 175.800 -0.780 0.000 1.113 12 F CA -1.461 56.010 58.000 -0.881 0.000 1.022 12 F CB 0.928 39.328 39.000 -0.999 0.000 1.128 12 F HN 0.449 nan 8.300 nan 0.000 0.466 13 I N 9.106 128.847 120.570 -1.382 0.000 2.534 13 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 13 I C -2.592 172.996 176.117 -0.882 0.000 1.094 13 I CA -2.439 58.293 61.300 -0.946 0.000 1.055 13 I CB 2.135 39.983 38.000 -0.253 0.000 1.225 13 I HN 0.438 nan 8.210 nan 0.000 0.435 14 P HA 0.145 nan 4.420 nan 0.000 0.272 14 P C 0.503 177.755 177.300 -0.079 0.000 1.223 14 P CA -0.052 62.844 63.100 -0.341 0.000 0.784 14 P CB 0.963 32.563 31.700 -0.167 0.000 0.923 15 T N 1.252 115.836 114.554 0.050 0.000 2.624 15 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 15 T C 1.677 176.431 174.700 0.091 0.000 1.041 15 T CA 2.165 64.338 62.100 0.122 0.000 1.159 15 T CB -0.940 68.025 68.868 0.162 0.000 0.863 15 T HN 0.654 nan 8.240 nan 0.000 0.434 16 N N 1.407 120.146 118.700 0.064 0.000 2.348 16 N HA -0.192 4.547 4.740 -0.000 0.000 0.185 16 N C 1.674 177.219 175.510 0.058 0.000 1.019 16 N CA 1.282 54.366 53.050 0.056 0.000 0.880 16 N CB -0.357 38.154 38.487 0.041 0.000 0.965 16 N HN 0.519 nan 8.380 nan 0.000 0.437 17 Q N 0.014 119.847 119.800 0.053 0.000 2.269 17 Q HA 0.208 4.548 4.340 -0.000 0.000 0.201 17 Q C 2.190 178.294 176.000 0.174 0.000 0.946 17 Q CA 0.431 56.282 55.803 0.080 0.000 0.877 17 Q CB 0.194 28.958 28.738 0.043 0.000 0.963 17 Q HN 0.420 nan 8.270 nan 0.000 0.472 18 I N 1.201 121.871 120.570 0.167 0.000 2.202 18 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 18 I C 1.320 177.528 176.117 0.152 0.000 1.091 18 I CA 0.796 62.212 61.300 0.194 0.000 1.368 18 I CB -0.173 37.931 38.000 0.174 0.000 1.058 18 I HN 0.201 nan 8.210 nan 0.000 0.410 19 N N 1.090 119.855 118.700 0.108 0.000 2.520 19 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 19 N C 0.543 176.102 175.510 0.082 0.000 1.068 19 N CA 0.825 53.922 53.050 0.078 0.000 0.911 19 N CB -0.271 38.252 38.487 0.060 0.000 0.961 19 N HN 0.424 nan 8.380 nan 0.000 0.446 20 N N -0.490 118.271 118.700 0.103 0.000 2.305 20 N HA -0.027 4.713 4.740 -0.000 0.000 0.248 20 N C -0.709 174.851 175.510 0.083 0.000 1.290 20 N CA -0.315 52.780 53.050 0.074 0.000 0.873 20 N CB 0.437 38.949 38.487 0.042 0.000 1.261 20 N HN 0.174 nan 8.380 nan 0.000 0.504 21 Y N 2.462 122.777 120.300 0.025 0.000 2.810 21 Y HA 0.015 4.565 4.550 -0.000 0.000 0.332 21 Y C 0.667 176.577 175.900 0.018 0.000 1.243 21 Y CA 1.010 59.129 58.100 0.031 0.000 1.537 21 Y CB 0.448 38.933 38.460 0.041 0.000 1.265 21 Y HN -0.061 nan 8.280 nan 0.000 0.572 22 T N 4.585 118.772 114.554 -0.611 0.000 2.885 22 T HA 0.295 4.645 4.350 -0.000 0.000 0.322 22 T C -0.550 173.816 174.700 -0.557 0.000 1.387 22 T CA -0.726 61.138 62.100 -0.393 0.000 1.041 22 T CB 1.178 69.944 68.868 -0.171 0.000 1.287 22 T HN 0.735 nan 8.240 nan 0.000 0.491 23 E N 1.620 121.624 120.200 -0.326 0.000 2.548 23 E HA 0.155 4.505 4.350 -0.000 0.000 0.206 23 E C 0.546 177.066 176.600 -0.133 0.000 1.005 23 E CA 0.047 56.302 56.400 -0.241 0.000 0.951 23 E CB 0.597 30.224 29.700 -0.122 0.000 1.035 23 E HN 0.730 nan 8.360 nan 0.000 0.470 24 T N -2.043 112.440 114.554 -0.118 0.000 3.200 24 T HA 0.152 4.502 4.350 -0.000 0.000 0.284 24 T C -0.014 174.649 174.700 -0.061 0.000 1.009 24 T CA -0.450 61.608 62.100 -0.070 0.000 0.907 24 T CB 0.344 69.183 68.868 -0.049 0.000 1.120 24 T HN -0.155 nan 8.240 nan 0.000 0.534 25 D N 1.745 122.099 120.400 -0.076 0.000 2.445 25 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 25 D C 1.311 177.579 176.300 -0.053 0.000 1.315 25 D CA 0.077 54.044 54.000 -0.055 0.000 0.924 25 D CB 1.300 42.070 40.800 -0.049 0.000 1.447 25 D HN 0.201 nan 8.370 nan 0.000 0.532 26 T N -1.277 113.256 114.554 -0.035 0.000 2.869 26 T HA -0.233 4.117 4.350 -0.000 0.000 0.270 26 T C 1.845 176.538 174.700 -0.013 0.000 1.082 26 T CA 1.748 63.839 62.100 -0.016 0.000 1.123 26 T CB -0.187 68.685 68.868 0.006 0.000 0.856 26 T HN 0.231 nan 8.240 nan 0.000 0.499 27 S N 0.343 116.032 115.700 -0.018 0.000 2.419 27 S HA -0.028 4.442 4.470 -0.000 0.000 0.233 27 S C 1.981 176.571 174.600 -0.016 0.000 1.016 27 S CA 0.815 59.005 58.200 -0.015 0.000 0.974 27 S CB -0.498 62.693 63.200 -0.015 0.000 0.786 27 S HN 0.468 nan 8.310 nan 0.000 0.492 28 V N -0.035 119.864 119.914 -0.025 0.000 3.048 28 V HA 0.425 4.545 4.120 -0.000 0.000 0.241 28 V C 0.102 176.180 176.094 -0.027 0.000 1.129 28 V CA 0.470 62.756 62.300 -0.024 0.000 1.128 28 V CB 0.993 32.798 31.823 -0.030 0.000 0.849 28 V HN 0.384 nan 8.190 nan 0.000 0.475 29 V N 2.598 122.482 119.914 -0.051 0.000 2.340 29 V HA 0.383 4.503 4.120 -0.000 0.000 0.277 29 V C -1.679 174.411 176.094 -0.007 0.000 1.017 29 V CA -0.912 61.361 62.300 -0.045 0.000 0.820 29 V CB 1.108 32.834 31.823 -0.161 0.000 1.028 29 V HN 0.338 nan 8.190 nan 0.000 0.436 30 P HA -0.139 nan 4.420 nan 0.000 0.215 30 P C 0.239 177.659 177.300 0.200 0.000 1.157 30 P CA 1.387 64.546 63.100 0.097 0.000 0.874 30 P CB 0.202 31.962 31.700 0.099 0.000 0.790 31 F N 0.690 120.667 119.950 0.045 0.000 2.564 31 F HA 0.413 4.940 4.527 -0.000 0.000 0.361 31 F C -2.639 173.289 175.800 0.215 0.000 1.161 31 F CA -3.129 54.939 58.000 0.113 0.000 1.198 31 F CB 0.768 39.843 39.000 0.125 0.000 1.424 31 F HN -0.162 nan 8.300 nan 0.000 0.517 32 P HA 0.103 nan 4.420 nan 0.000 0.276 32 P C 0.948 178.167 177.300 -0.135 0.000 1.252 32 P CA -0.178 62.900 63.100 -0.038 0.000 0.802 32 P CB 1.996 33.576 31.700 -0.200 0.000 1.035 33 V N 0.989 120.971 119.914 0.113 0.000 2.469 33 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 33 V C 2.607 178.644 176.094 -0.095 0.000 1.064 33 V CA 2.724 64.979 62.300 -0.075 0.000 1.066 33 V CB -1.812 29.966 31.823 -0.075 0.000 0.667 33 V HN 0.731 nan 8.190 nan 0.000 0.461 34 S N 0.098 115.768 115.700 -0.050 0.000 2.469 34 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 34 S C 1.551 176.097 174.600 -0.090 0.000 0.998 34 S CA 1.661 59.832 58.200 -0.049 0.000 0.957 34 S CB -0.948 62.236 63.200 -0.026 0.000 0.764 34 S HN 0.761 nan 8.310 nan 0.000 0.514 35 N N 0.805 119.378 118.700 -0.212 0.000 2.459 35 N HA 0.140 4.880 4.740 -0.000 0.000 0.181 35 N C -0.169 175.318 175.510 -0.037 0.000 1.046 35 N CA 0.484 53.419 53.050 -0.191 0.000 0.904 35 N CB -0.118 38.083 38.487 -0.477 0.000 0.964 35 N HN 0.477 nan 8.380 nan 0.000 0.444 36 I N 2.432 122.979 120.570 -0.039 0.000 2.241 36 I HA 0.017 4.187 4.170 -0.000 0.000 0.294 36 I C 0.806 176.949 176.117 0.044 0.000 1.145 36 I CA -0.430 60.928 61.300 0.097 0.000 1.261 36 I CB -0.010 38.063 38.000 0.122 0.000 1.475 36 I HN 0.029 nan 8.210 nan 0.000 0.533 37 T N 2.550 117.124 114.554 0.034 0.000 2.748 37 T HA 0.149 4.499 4.350 -0.000 0.000 0.304 37 T C -1.658 172.996 174.700 -0.077 0.000 1.041 37 T CA -1.234 60.850 62.100 -0.027 0.000 1.033 37 T CB 0.666 69.523 68.868 -0.018 0.000 0.995 37 T HN 0.196 nan 8.240 nan 0.000 0.536 38 P HA -0.012 nan 4.420 nan 0.000 0.218 38 P C 1.643 178.868 177.300 -0.126 0.000 1.148 38 P CA 1.433 64.299 63.100 -0.389 0.000 0.822 38 P CB -0.328 30.948 31.700 -0.706 0.000 0.784 39 A N -0.015 122.761 122.820 -0.072 0.000 1.902 39 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 39 A C 2.054 179.656 177.584 0.031 0.000 1.181 39 A CA 1.704 53.734 52.037 -0.012 0.000 0.623 39 A CB -0.927 18.070 19.000 -0.005 0.000 0.818 39 A HN 0.161 nan 8.150 nan 0.000 0.443 40 K N -0.303 120.128 120.400 0.052 0.000 2.103 40 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 40 K C 2.255 178.927 176.600 0.120 0.000 1.052 40 K CA 0.933 57.284 56.287 0.106 0.000 0.945 40 K CB -0.287 32.304 32.500 0.152 0.000 0.722 40 K HN 0.411 nan 8.250 nan 0.000 0.443 41 A N 2.003 124.881 122.820 0.096 0.000 1.972 41 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 41 A C 1.811 179.459 177.584 0.107 0.000 1.169 41 A CA 1.462 53.567 52.037 0.113 0.000 0.635 41 A CB -0.251 18.824 19.000 0.125 0.000 0.810 41 A HN 0.190 nan 8.150 nan 0.000 0.446 42 K N -0.614 119.838 120.400 0.088 0.000 2.288 42 K HA -0.078 4.242 4.320 -0.000 0.000 0.201 42 K C 1.890 178.543 176.600 0.087 0.000 1.048 42 K CA 1.224 57.560 56.287 0.082 0.000 0.956 42 K CB -0.065 32.474 32.500 0.064 0.000 0.746 42 K HN 0.614 nan 8.250 nan 0.000 0.461 43 Q N 0.136 119.995 119.800 0.099 0.000 2.424 43 Q HA 0.106 4.446 4.340 -0.000 0.000 0.204 43 Q C -0.017 176.075 176.000 0.154 0.000 0.933 43 Q CA 0.204 56.074 55.803 0.112 0.000 0.929 43 Q CB 0.291 29.088 28.738 0.099 0.000 1.037 43 Q HN 0.194 nan 8.270 nan 0.000 0.511 44 L N -0.149 121.167 121.223 0.155 0.000 2.344 44 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 44 L C 1.185 178.129 176.870 0.123 0.000 1.035 44 L CA -0.210 54.731 54.840 0.168 0.000 0.807 44 L CB 1.535 43.694 42.059 0.168 0.000 1.237 44 L HN 0.045 nan 8.230 nan 0.000 0.442 45 T N -3.612 111.024 114.554 0.137 0.000 2.978 45 T HA 0.238 4.588 4.350 -0.000 0.000 0.248 45 T C 0.224 174.897 174.700 -0.045 0.000 1.018 45 T CA 0.115 62.262 62.100 0.077 0.000 1.026 45 T CB 0.074 69.042 68.868 0.167 0.000 1.032 45 T HN 0.530 nan 8.240 nan 0.000 0.485 46 H N -0.484 118.586 119.070 -0.000 0.000 2.974 46 H HA 0.683 5.239 4.556 -0.000 0.000 0.366 46 H C -1.365 173.930 175.328 -0.055 0.000 1.155 46 H CA -0.925 55.112 56.048 -0.019 0.000 1.186 46 H CB 1.632 31.359 29.762 -0.060 0.000 1.799 46 H HN 0.148 nan 8.280 nan 0.000 0.541 47 I N 2.226 122.860 120.570 0.106 0.000 2.418 47 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 47 I C -0.560 175.571 176.117 0.024 0.000 1.008 47 I CA -0.812 60.518 61.300 0.050 0.000 1.104 47 I CB 1.326 39.400 38.000 0.123 0.000 1.264 47 I HN 0.483 nan 8.210 nan 0.000 0.438 48 N N 6.416 125.017 118.700 -0.165 0.000 2.500 48 N HA 0.206 4.946 4.740 -0.000 0.000 0.236 48 N C -0.682 174.789 175.510 -0.066 0.000 1.022 48 N CA -0.266 52.627 53.050 -0.261 0.000 0.935 48 N CB 0.623 38.592 38.487 -0.864 0.000 1.147 48 N HN 0.386 nan 8.380 nan 0.000 0.512 49 F N 2.077 122.025 119.950 -0.002 0.000 2.504 49 F HA 0.240 4.767 4.527 -0.000 0.000 0.369 49 F C 0.044 175.847 175.800 0.006 0.000 1.082 49 F CA 0.201 58.277 58.000 0.128 0.000 1.216 49 F CB 0.440 39.591 39.000 0.252 0.000 1.108 49 F HN 0.200 nan 8.300 nan 0.000 0.554 50 S N 5.624 120.885 115.700 -0.731 0.000 2.549 50 S HA 0.683 5.153 4.470 -0.000 0.000 0.280 50 S C -1.430 172.890 174.600 -0.467 0.000 1.109 50 S CA -0.527 57.282 58.200 -0.651 0.000 0.905 50 S CB 1.485 64.038 63.200 -1.078 0.000 1.081 50 S HN 0.478 nan 8.310 nan 0.000 0.477 51 F N 1.033 121.076 119.950 0.155 0.000 2.577 51 F HA 0.680 5.207 4.527 0.000 0.000 0.318 51 F C -0.383 175.550 175.800 0.221 0.000 1.065 51 F CA -0.808 57.344 58.000 0.253 0.000 0.929 51 F CB 1.120 40.359 39.000 0.398 0.000 1.237 51 F HN 0.316 nan 8.300 nan 0.000 0.468 52 L N 1.099 122.542 121.223 0.366 0.000 2.335 52 L HA 0.567 4.907 4.340 -0.000 0.000 0.268 52 L C -0.520 176.443 176.870 0.154 0.000 1.016 52 L CA -0.250 54.648 54.840 0.097 0.000 0.805 52 L CB 1.291 43.276 42.059 -0.124 0.000 1.311 52 L HN 0.585 nan 8.230 nan 0.000 0.456 53 D N -1.052 119.302 120.400 -0.077 0.000 2.714 53 D HA 0.532 5.172 4.640 -0.000 0.000 0.278 53 D C -1.375 174.792 176.300 -0.221 0.000 1.102 53 D CA -0.345 53.499 54.000 -0.259 0.000 1.108 53 D CB 1.492 41.808 40.800 -0.806 0.000 1.444 53 D HN 0.256 nan 8.370 nan 0.000 0.568 54 I N 2.393 122.717 120.570 -0.411 0.000 2.382 54 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 54 I C -0.005 175.890 176.117 -0.370 0.000 1.002 54 I CA -0.869 60.146 61.300 -0.476 0.000 1.135 54 I CB 1.212 38.592 38.000 -1.034 0.000 1.288 54 I HN 0.338 nan 8.210 nan 0.000 0.448 55 N N 3.581 122.149 118.700 -0.219 0.000 2.366 55 N HA 0.087 4.827 4.740 -0.000 0.000 0.277 55 N C 0.953 176.370 175.510 -0.155 0.000 1.275 55 N CA -0.437 52.517 53.050 -0.161 0.000 0.964 55 N CB 0.257 38.695 38.487 -0.082 0.000 1.167 55 N HN 0.515 nan 8.380 nan 0.000 0.568 56 S N -1.810 113.826 115.700 -0.107 0.000 2.469 56 S HA -0.181 4.289 4.470 -0.000 0.000 0.238 56 S C 1.215 175.766 174.600 -0.081 0.000 0.998 56 S CA 0.992 59.136 58.200 -0.094 0.000 0.957 56 S CB -0.678 62.485 63.200 -0.061 0.000 0.764 56 S HN 0.720 nan 8.310 nan 0.000 0.514 57 N N 1.373 120.034 118.700 -0.066 0.000 2.461 57 N HA 0.131 4.871 4.740 -0.000 0.000 0.188 57 N C 0.402 175.881 175.510 -0.052 0.000 1.134 57 N CA 0.165 53.189 53.050 -0.044 0.000 0.878 57 N CB -0.689 37.785 38.487 -0.021 0.000 0.972 57 N HN 0.511 nan 8.380 nan 0.000 0.456 58 L N -0.596 120.568 121.223 -0.098 0.000 3.730 58 L HA -0.245 4.095 4.340 -0.000 0.000 0.410 58 L C -0.954 175.903 176.870 -0.021 0.000 1.234 58 L CA 0.571 55.333 54.840 -0.130 0.000 0.911 58 L CB -1.918 40.073 42.059 -0.113 0.000 1.942 58 L HN 0.335 nan 8.230 nan 0.000 0.860 59 E N -0.612 119.594 120.200 0.010 0.000 2.312 59 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 59 E C -0.378 176.287 176.600 0.108 0.000 0.894 59 E CA -0.780 55.694 56.400 0.124 0.000 0.773 59 E CB 2.752 32.490 29.700 0.064 0.000 1.241 59 E HN 0.267 nan 8.360 nan 0.000 0.432 60 C N 1.936 121.343 119.300 0.179 0.000 2.657 60 C HA 0.619 5.079 4.460 -0.000 0.000 0.420 60 C C 0.070 175.085 174.990 0.042 0.000 1.323 60 C CA 0.276 59.374 59.018 0.133 0.000 1.894 60 C CB -1.457 26.369 27.740 0.144 0.000 2.681 60 C HN 0.679 nan 8.230 nan 0.000 0.613 61 A N 4.793 127.607 122.820 -0.010 0.000 2.597 61 A HA 0.656 4.976 4.320 -0.000 0.000 0.292 61 A C -1.356 176.220 177.584 -0.014 0.000 1.057 61 A CA -0.694 51.353 52.037 0.018 0.000 0.674 61 A CB 0.074 19.110 19.000 0.059 0.000 1.278 61 A HN 0.932 nan 8.150 nan 0.000 0.416 62 W N 0.610 121.900 121.300 -0.016 0.000 2.086 62 W HA 0.431 5.091 4.660 -0.000 0.000 0.355 62 W C 0.559 177.106 176.519 0.047 0.000 1.313 62 W CA 0.974 58.333 57.345 0.023 0.000 1.358 62 W CB 0.430 29.883 29.460 -0.012 0.000 1.166 62 W HN 0.730 nan 8.180 nan 0.000 0.630 63 D N 1.131 121.775 120.400 0.407 0.000 2.390 63 D HA 0.075 4.715 4.640 -0.000 0.000 0.249 63 D C -1.545 174.901 176.300 0.244 0.000 1.144 63 D CA -1.661 52.517 54.000 0.296 0.000 0.880 63 D CB 1.334 42.354 40.800 0.368 0.000 1.182 63 D HN -0.098 nan 8.370 nan 0.000 0.451 64 P HA -0.110 nan 4.420 nan 0.000 0.217 64 P C 0.619 177.983 177.300 0.108 0.000 1.148 64 P CA 1.544 64.718 63.100 0.122 0.000 0.828 64 P CB 0.132 31.887 31.700 0.092 0.000 0.783 65 A N -1.611 121.284 122.820 0.125 0.000 2.235 65 A HA 0.041 4.361 4.320 -0.000 0.000 0.208 65 A C 0.834 178.475 177.584 0.095 0.000 1.172 65 A CA 0.610 52.707 52.037 0.101 0.000 0.786 65 A CB -1.185 17.881 19.000 0.109 0.000 0.804 65 A HN 0.121 nan 8.150 nan 0.000 0.479 66 T N 1.707 116.329 114.554 0.112 0.000 2.851 66 T HA 0.097 4.447 4.350 -0.000 0.000 0.298 66 T C 0.303 175.000 174.700 -0.005 0.000 0.977 66 T CA -0.372 61.774 62.100 0.078 0.000 1.126 66 T CB 0.429 69.365 68.868 0.114 0.000 0.916 66 T HN 0.383 nan 8.240 nan 0.000 0.529 67 N N 2.583 121.270 118.700 -0.021 0.000 2.402 67 N HA -0.011 4.729 4.740 -0.000 0.000 0.259 67 N C 0.788 176.222 175.510 -0.126 0.000 1.167 67 N CA -0.153 52.868 53.050 -0.048 0.000 0.949 67 N CB 0.816 39.290 38.487 -0.022 0.000 1.212 67 N HN 0.616 nan 8.380 nan 0.000 0.493 68 D N 3.662 123.970 120.400 -0.155 0.000 2.149 68 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 68 D C 1.591 177.768 176.300 -0.205 0.000 1.001 68 D CA 1.917 55.775 54.000 -0.236 0.000 0.849 68 D CB 0.244 40.946 40.800 -0.164 0.000 0.939 68 D HN 0.649 nan 8.370 nan 0.000 0.449 69 A N 0.060 122.797 122.820 -0.138 0.000 1.930 69 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 69 A C 2.093 179.601 177.584 -0.126 0.000 1.175 69 A CA 1.202 53.166 52.037 -0.122 0.000 0.627 69 A CB -0.304 18.646 19.000 -0.085 0.000 0.815 69 A HN 0.072 nan 8.150 nan 0.000 0.443 70 K N -0.003 120.329 120.400 -0.114 0.000 2.025 70 K HA 0.016 4.336 4.320 -0.000 0.000 0.207 70 K C 2.321 178.820 176.600 -0.168 0.000 1.049 70 K CA 1.291 57.519 56.287 -0.097 0.000 0.933 70 K CB -0.958 31.523 32.500 -0.033 0.000 0.714 70 K HN 0.413 nan 8.250 nan 0.000 0.438 71 A N 2.039 124.718 122.820 -0.234 0.000 1.892 71 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 71 A C 2.272 179.665 177.584 -0.318 0.000 1.188 71 A CA 1.679 53.494 52.037 -0.370 0.000 0.631 71 A CB -0.489 17.964 19.000 -0.912 0.000 0.822 71 A HN 0.280 nan 8.150 nan 0.000 0.447 72 R N -0.874 119.476 120.500 -0.249 0.000 2.096 72 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 72 R C 1.998 178.187 176.300 -0.184 0.000 1.127 72 R CA 1.553 57.558 56.100 -0.159 0.000 0.968 72 R CB -0.443 29.760 30.300 -0.162 0.000 0.861 72 R HN 0.694 nan 8.270 nan 0.000 0.440 73 D N 0.156 120.444 120.400 -0.187 0.000 2.117 73 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 73 D C 1.765 177.912 176.300 -0.254 0.000 0.982 73 D CA 0.832 54.721 54.000 -0.185 0.000 0.828 73 D CB 0.205 40.915 40.800 -0.149 0.000 0.967 73 D HN -0.077 nan 8.370 nan 0.000 0.464 74 V N -0.183 119.532 119.914 -0.332 0.000 2.295 74 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 74 V C 2.596 178.532 176.094 -0.263 0.000 1.049 74 V CA 1.318 63.371 62.300 -0.411 0.000 1.024 74 V CB -0.360 31.260 31.823 -0.338 0.000 0.648 74 V HN 0.165 nan 8.190 nan 0.000 0.447 75 V N 0.755 120.515 119.914 -0.258 0.000 2.343 75 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 75 V C 2.302 178.255 176.094 -0.235 0.000 1.051 75 V CA 2.149 64.271 62.300 -0.298 0.000 1.036 75 V CB -0.905 30.682 31.823 -0.393 0.000 0.654 75 V HN 0.578 nan 8.190 nan 0.000 0.451 76 N N 0.230 118.806 118.700 -0.207 0.000 2.223 76 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 76 N C 1.913 177.345 175.510 -0.129 0.000 1.016 76 N CA 1.136 54.089 53.050 -0.162 0.000 0.863 76 N CB -0.355 38.046 38.487 -0.144 0.000 0.983 76 N HN 0.499 nan 8.380 nan 0.000 0.429 77 R N 0.400 120.816 120.500 -0.140 0.000 2.092 77 R HA 0.042 4.382 4.340 -0.000 0.000 0.231 77 R C 2.177 178.424 176.300 -0.089 0.000 1.119 77 R CA 0.613 56.652 56.100 -0.101 0.000 0.970 77 R CB -0.358 29.876 30.300 -0.110 0.000 0.864 77 R HN 0.234 nan 8.270 nan 0.000 0.440 78 L N 0.292 121.444 121.223 -0.118 0.000 2.027 78 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 78 L C 2.704 179.553 176.870 -0.035 0.000 1.074 78 L CA 1.778 56.569 54.840 -0.080 0.000 0.745 78 L CB -0.793 41.225 42.059 -0.068 0.000 0.898 78 L HN 0.321 nan 8.230 nan 0.000 0.433 79 T N -2.616 111.904 114.554 -0.057 0.000 2.929 79 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 79 T C 1.810 176.485 174.700 -0.042 0.000 1.085 79 T CA 0.846 62.922 62.100 -0.040 0.000 1.125 79 T CB -0.340 68.486 68.868 -0.071 0.000 0.874 79 T HN 0.309 nan 8.240 nan 0.000 0.494 80 A N 1.516 124.305 122.820 -0.051 0.000 2.067 80 A HA 0.242 4.562 4.320 -0.000 0.000 0.219 80 A C 2.328 179.882 177.584 -0.050 0.000 1.158 80 A CA 0.806 52.809 52.037 -0.056 0.000 0.661 80 A CB -0.814 18.158 19.000 -0.048 0.000 0.801 80 A HN 0.577 nan 8.150 nan 0.000 0.452 81 L N -0.848 120.380 121.223 0.007 0.000 2.265 81 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 81 L C 2.215 179.109 176.870 0.041 0.000 1.117 81 L CA 1.289 56.182 54.840 0.088 0.000 0.782 81 L CB -0.420 41.700 42.059 0.101 0.000 0.914 81 L HN 0.355 nan 8.230 nan 0.000 0.441 82 K N 0.321 120.715 120.400 -0.011 0.000 2.360 82 K HA -0.125 4.195 4.320 -0.000 0.000 0.201 82 K C 2.145 178.701 176.600 -0.073 0.000 1.046 82 K CA 1.021 57.295 56.287 -0.021 0.000 0.940 82 K CB -0.203 32.284 32.500 -0.021 0.000 0.748 82 K HN 0.302 nan 8.250 nan 0.000 0.465 83 A N 0.908 123.621 122.820 -0.178 0.000 2.070 83 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 83 A C 1.311 178.707 177.584 -0.314 0.000 1.159 83 A CA 1.233 53.101 52.037 -0.281 0.000 0.656 83 A CB -0.394 18.360 19.000 -0.410 0.000 0.800 83 A HN 0.306 nan 8.150 nan 0.000 0.453 84 H N -1.998 117.076 119.070 0.006 0.000 2.622 84 H HA 0.138 4.694 4.556 -0.000 0.000 0.269 84 H C -0.263 175.074 175.328 0.015 0.000 0.977 84 H CA 0.517 56.572 56.048 0.012 0.000 1.179 84 H CB 0.340 30.112 29.762 0.018 0.000 1.458 84 H HN 0.498 nan 8.280 nan 0.000 0.531 85 N N 1.013 119.769 118.700 0.094 0.000 2.629 85 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 85 N C -2.324 173.200 175.510 0.023 0.000 1.188 85 N CA -1.460 51.629 53.050 0.064 0.000 0.835 85 N CB 1.712 40.245 38.487 0.078 0.000 1.420 85 N HN -0.141 nan 8.380 nan 0.000 0.542 86 P HA 0.001 nan 4.420 nan 0.000 0.231 86 P C 0.359 177.650 177.300 -0.015 0.000 1.158 86 P CA 0.699 63.795 63.100 -0.007 0.000 0.763 86 P CB 0.492 32.188 31.700 -0.006 0.000 0.805 87 S N -0.847 114.847 115.700 -0.010 0.000 2.517 87 S HA 0.100 4.570 4.470 -0.000 0.000 0.214 87 S C 0.765 175.326 174.600 -0.065 0.000 0.991 87 S CA -0.434 57.749 58.200 -0.029 0.000 0.906 87 S CB -0.392 62.803 63.200 -0.008 0.000 0.789 87 S HN 0.079 nan 8.310 nan 0.000 0.513 88 L N 3.142 124.341 121.223 -0.040 0.000 2.453 88 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 88 L C 0.008 176.835 176.870 -0.073 0.000 1.182 88 L CA 0.536 55.343 54.840 -0.054 0.000 0.858 88 L CB 0.306 42.371 42.059 0.009 0.000 1.120 88 L HN 0.008 nan 8.230 nan 0.000 0.474 89 R N 5.530 125.955 120.500 -0.126 0.000 2.534 89 R HA 0.536 4.876 4.340 -0.000 0.000 0.301 89 R C -1.229 175.111 176.300 0.067 0.000 0.961 89 R CA -0.942 55.128 56.100 -0.049 0.000 0.871 89 R CB 1.656 31.870 30.300 -0.143 0.000 1.170 89 R HN 0.473 nan 8.270 nan 0.000 0.446 90 I N 4.785 125.452 120.570 0.162 0.000 2.307 90 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 90 I C 0.282 176.616 176.117 0.362 0.000 1.054 90 I CA -0.317 61.136 61.300 0.255 0.000 1.218 90 I CB 0.722 38.890 38.000 0.279 0.000 1.398 90 I HN 0.506 nan 8.210 nan 0.000 0.475 91 M N 6.336 126.075 119.600 0.232 0.000 2.371 91 M HA 0.466 4.946 4.480 -0.000 0.000 0.301 91 M C -0.296 175.983 176.300 -0.036 0.000 1.173 91 M CA -0.468 54.899 55.300 0.111 0.000 1.020 91 M CB 1.218 33.828 32.600 0.016 0.000 1.490 91 M HN 0.386 nan 8.290 nan 0.000 0.485 92 F N -1.193 118.488 119.950 -0.450 0.000 2.551 92 F HA 0.747 5.274 4.527 -0.000 0.000 0.316 92 F C -0.700 174.958 175.800 -0.236 0.000 1.089 92 F CA -0.911 56.731 58.000 -0.597 0.000 0.915 92 F CB 1.067 39.213 39.000 -1.423 0.000 1.186 92 F HN 0.394 nan 8.300 nan 0.000 0.456 93 S N 3.940 119.623 115.700 -0.028 0.000 2.451 93 S HA 0.662 5.132 4.470 -0.000 0.000 0.301 93 S C -0.462 174.328 174.600 0.318 0.000 1.116 93 S CA -0.602 57.655 58.200 0.095 0.000 1.093 93 S CB 1.039 64.401 63.200 0.270 0.000 1.017 93 S HN 0.574 nan 8.310 nan 0.000 0.482 94 I N 3.102 123.838 120.570 0.277 0.000 2.339 94 I HA 0.652 4.822 4.170 -0.000 0.000 0.290 94 I C 0.913 177.265 176.117 0.391 0.000 0.994 94 I CA -0.010 61.500 61.300 0.350 0.000 1.191 94 I CB 0.909 39.082 38.000 0.288 0.000 1.343 94 I HN 0.917 nan 8.210 nan 0.000 0.458 95 G N 4.228 113.254 108.800 0.376 0.000 2.390 95 G HA2 0.353 4.313 3.960 -0.000 0.000 0.202 95 G HA3 0.353 4.313 3.960 -0.000 0.000 0.202 95 G C -0.044 174.595 174.900 -0.434 0.000 1.210 95 G CA 0.055 45.214 45.100 0.099 0.000 1.271 95 G HN 1.479 nan 8.290 nan 0.000 0.543 96 G N -1.981 106.445 108.800 -0.624 0.000 2.662 96 G HA2 0.120 4.080 3.960 -0.000 0.000 0.686 96 G HA3 0.120 4.080 3.960 -0.000 0.000 0.686 96 G C 0.673 175.226 174.900 -0.578 0.000 1.271 96 G CA 0.464 44.938 45.100 -1.042 0.000 0.816 96 G HN 1.930 nan 8.290 nan 0.000 0.608 97 W N 0.547 121.465 121.300 -0.637 0.000 2.355 97 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 97 W C 2.067 178.365 176.519 -0.369 0.000 1.206 97 W CA 2.649 59.707 57.345 -0.479 0.000 1.284 97 W CB -0.368 28.838 29.460 -0.423 0.000 1.145 97 W HN 0.721 nan 8.180 nan 0.000 0.502 98 Y N 0.675 120.780 120.300 -0.326 0.000 2.114 98 Y HA -0.351 4.199 4.550 -0.000 0.000 0.282 98 Y C 2.379 178.051 175.900 -0.380 0.000 1.165 98 Y CA 2.713 60.595 58.100 -0.362 0.000 1.148 98 Y CB -1.317 36.898 38.460 -0.408 0.000 0.972 98 Y HN -0.067 nan 8.280 nan 0.000 0.504 99 Y N -0.713 119.314 120.300 -0.456 0.000 2.243 99 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 99 Y C 2.855 178.422 175.900 -0.555 0.000 1.124 99 Y CA 1.273 59.086 58.100 -0.477 0.000 1.159 99 Y CB -0.946 37.387 38.460 -0.212 0.000 1.008 99 Y HN 0.275 nan 8.280 nan 0.000 0.527 100 S N -0.146 115.215 115.700 -0.565 0.000 2.540 100 S HA 0.076 4.546 4.470 -0.000 0.000 0.218 100 S C 0.366 174.612 174.600 -0.590 0.000 0.977 100 S CA -0.380 57.324 58.200 -0.827 0.000 0.918 100 S CB -1.235 61.201 63.200 -1.273 0.000 0.806 100 S HN 0.484 nan 8.310 nan 0.000 0.496 101 N N 1.683 119.882 118.700 -0.836 0.000 2.381 101 N HA 0.072 4.812 4.740 -0.000 0.000 0.241 101 N C 0.243 175.293 175.510 -0.767 0.000 1.279 101 N CA 0.055 52.461 53.050 -1.074 0.000 0.896 101 N CB 0.197 37.299 38.487 -2.308 0.000 1.118 101 N HN -0.171 nan 8.380 nan 0.000 0.438 102 D N 0.368 120.332 120.400 -0.727 0.000 2.170 102 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 102 D C 1.030 176.924 176.300 -0.677 0.000 1.004 102 D CA 1.535 54.995 54.000 -0.901 0.000 0.860 102 D CB -0.145 40.385 40.800 -0.452 0.000 0.931 102 D HN 0.558 nan 8.370 nan 0.000 0.448 103 L N -0.160 120.782 121.223 -0.468 0.000 2.741 103 L HA 0.322 4.662 4.340 -0.000 0.000 0.237 103 L C 1.224 177.913 176.870 -0.302 0.000 1.178 103 L CA -0.530 54.131 54.840 -0.297 0.000 0.973 103 L CB 0.274 42.220 42.059 -0.189 0.000 1.255 103 L HN -0.127 nan 8.230 nan 0.000 0.498 104 G N -0.004 108.554 108.800 -0.403 0.000 2.507 104 G HA2 0.314 4.274 3.960 -0.000 0.000 0.271 104 G HA3 0.314 4.274 3.960 -0.000 0.000 0.271 104 G C 1.214 175.947 174.900 -0.278 0.000 1.189 104 G CA -0.053 44.798 45.100 -0.414 0.000 0.859 104 G HN 0.007 nan 8.290 nan 0.000 0.542 105 V N -0.974 118.742 119.914 -0.329 0.000 2.453 105 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 105 V C 1.865 177.892 176.094 -0.112 0.000 1.068 105 V CA 2.354 64.535 62.300 -0.197 0.000 1.070 105 V CB -0.503 31.194 31.823 -0.210 0.000 0.664 105 V HN 0.441 nan 8.190 nan 0.000 0.461 106 S N -1.371 114.269 115.700 -0.099 0.000 2.578 106 S HA 0.191 4.661 4.470 -0.000 0.000 0.231 106 S C 1.475 176.069 174.600 -0.009 0.000 0.994 106 S CA 0.157 58.329 58.200 -0.047 0.000 0.956 106 S CB -0.582 62.608 63.200 -0.017 0.000 0.870 106 S HN 0.807 nan 8.310 nan 0.000 0.494 107 H N 2.421 121.386 119.070 -0.175 0.000 2.362 107 H HA -0.222 4.334 4.556 -0.000 0.000 0.294 107 H C 2.154 177.406 175.328 -0.127 0.000 1.113 107 H CA 1.864 57.788 56.048 -0.207 0.000 1.253 107 H CB -0.095 29.542 29.762 -0.208 0.000 1.363 107 H HN 0.482 nan 8.280 nan 0.000 0.494 108 A N 1.095 123.820 122.820 -0.158 0.000 1.940 108 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 108 A C 2.222 179.654 177.584 -0.255 0.000 1.176 108 A CA 1.658 53.578 52.037 -0.194 0.000 0.631 108 A CB -0.370 18.575 19.000 -0.092 0.000 0.814 108 A HN 0.542 nan 8.150 nan 0.000 0.446 109 N N -1.012 117.536 118.700 -0.253 0.000 2.166 109 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 109 N C 1.408 176.572 175.510 -0.576 0.000 1.019 109 N CA 1.601 54.431 53.050 -0.366 0.000 0.856 109 N CB -0.600 37.652 38.487 -0.391 0.000 0.993 109 N HN 0.662 nan 8.380 nan 0.000 0.426 110 Y N 0.754 120.598 120.300 -0.760 0.000 2.220 110 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 110 Y C 2.460 177.796 175.900 -0.940 0.000 1.129 110 Y CA 0.445 57.854 58.100 -1.151 0.000 1.161 110 Y CB -0.688 36.570 38.460 -2.003 0.000 0.997 110 Y HN -0.183 nan 8.280 nan 0.000 0.522 111 V N 0.400 120.002 119.914 -0.520 0.000 2.343 111 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 111 V C 1.621 177.649 176.094 -0.110 0.000 1.051 111 V CA 2.304 64.521 62.300 -0.138 0.000 1.036 111 V CB -0.728 31.009 31.823 -0.143 0.000 0.654 111 V HN 0.484 nan 8.190 nan 0.000 0.451 112 N N 0.162 118.747 118.700 -0.193 0.000 2.250 112 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 112 N C 1.922 177.340 175.510 -0.154 0.000 1.017 112 N CA 1.001 53.968 53.050 -0.140 0.000 0.866 112 N CB -0.299 38.103 38.487 -0.142 0.000 0.985 112 N HN 0.448 nan 8.380 nan 0.000 0.429 113 A N 0.880 123.534 122.820 -0.276 0.000 2.024 113 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 113 A C 2.084 179.571 177.584 -0.162 0.000 1.164 113 A CA 1.513 53.370 52.037 -0.299 0.000 0.643 113 A CB -0.586 18.019 19.000 -0.659 0.000 0.806 113 A HN 0.273 nan 8.150 nan 0.000 0.451 114 V N -4.041 115.820 119.914 -0.088 0.000 3.621 114 V HA 0.174 4.294 4.120 -0.000 0.000 0.285 114 V C 1.514 177.653 176.094 0.076 0.000 1.346 114 V CA 0.713 63.050 62.300 0.062 0.000 1.104 114 V CB -0.320 31.634 31.823 0.218 0.000 0.913 114 V HN 0.377 nan 8.190 nan 0.000 0.432 115 K N 1.966 122.387 120.400 0.035 0.000 2.026 115 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 115 K C 1.161 177.784 176.600 0.040 0.000 1.048 115 K CA 1.940 58.250 56.287 0.039 0.000 0.929 115 K CB -0.183 32.326 32.500 0.014 0.000 0.713 115 K HN 0.777 nan 8.250 nan 0.000 0.439 116 T N -3.235 111.339 114.554 0.033 0.000 2.916 116 T HA 0.260 4.610 4.350 -0.000 0.000 0.292 116 T C -2.489 172.234 174.700 0.038 0.000 1.064 116 T CA -2.115 60.005 62.100 0.032 0.000 1.011 116 T CB 1.989 70.870 68.868 0.022 0.000 1.152 116 T HN -0.277 nan 8.240 nan 0.000 0.510 117 P HA -0.079 nan 4.420 nan 0.000 0.216 117 P C 1.553 178.874 177.300 0.035 0.000 1.150 117 P CA 1.722 64.843 63.100 0.034 0.000 0.843 117 P CB -0.197 31.518 31.700 0.026 0.000 0.787 118 A N -0.286 122.551 122.820 0.028 0.000 1.897 118 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 118 A C 2.354 179.959 177.584 0.035 0.000 1.181 118 A CA 2.020 54.073 52.037 0.026 0.000 0.620 118 A CB -1.516 17.494 19.000 0.018 0.000 0.821 118 A HN 0.319 nan 8.150 nan 0.000 0.443 119 S N 0.167 115.887 115.700 0.034 0.000 2.383 119 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 119 S C 2.014 176.666 174.600 0.087 0.000 1.026 119 S CA 1.145 59.368 58.200 0.038 0.000 0.981 119 S CB -0.468 62.738 63.200 0.009 0.000 0.818 119 S HN 0.606 nan 8.310 nan 0.000 0.472 120 R N 1.647 122.203 120.500 0.093 0.000 2.066 120 R HA 0.099 4.439 4.340 -0.000 0.000 0.232 120 R C 2.856 179.232 176.300 0.127 0.000 1.131 120 R CA 1.250 57.439 56.100 0.147 0.000 0.955 120 R CB -0.920 29.447 30.300 0.111 0.000 0.851 120 R HN 0.547 nan 8.270 nan 0.000 0.432 121 A N 1.809 124.671 122.820 0.069 0.000 1.883 121 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 121 A C 2.123 179.725 177.584 0.031 0.000 1.186 121 A CA 1.758 53.817 52.037 0.036 0.000 0.624 121 A CB -0.453 18.561 19.000 0.023 0.000 0.822 121 A HN 0.263 nan 8.150 nan 0.000 0.444 122 K N -1.722 118.709 120.400 0.052 0.000 2.057 122 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 122 K C 1.824 178.468 176.600 0.074 0.000 1.049 122 K CA 1.645 57.961 56.287 0.048 0.000 0.931 122 K CB -0.319 32.211 32.500 0.049 0.000 0.714 122 K HN 0.415 nan 8.250 nan 0.000 0.440 123 F N 1.358 121.291 119.950 -0.028 0.000 2.113 123 F HA -0.045 4.482 4.527 0.000 0.000 0.297 123 F C 2.005 177.796 175.800 -0.016 0.000 1.103 123 F CA 1.340 59.318 58.000 -0.038 0.000 1.248 123 F CB -0.810 38.157 39.000 -0.054 0.000 0.999 123 F HN 0.070 nan 8.300 nan 0.000 0.475 124 A N 0.406 123.063 122.820 -0.273 0.000 1.908 124 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 124 A C 2.196 179.630 177.584 -0.250 0.000 1.181 124 A CA 1.815 53.646 52.037 -0.345 0.000 0.627 124 A CB -0.909 18.014 19.000 -0.129 0.000 0.818 124 A HN 0.548 nan 8.150 nan 0.000 0.445 125 Q N 0.144 119.863 119.800 -0.136 0.000 2.084 125 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 125 Q C 2.569 178.515 176.000 -0.091 0.000 0.978 125 Q CA 2.011 57.762 55.803 -0.087 0.000 0.844 125 Q CB -0.576 28.137 28.738 -0.042 0.000 0.898 125 Q HN 0.863 nan 8.270 nan 0.000 0.426 126 S N -0.572 115.065 115.700 -0.105 0.000 2.423 126 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 126 S C 2.296 176.851 174.600 -0.075 0.000 1.014 126 S CA 1.106 59.268 58.200 -0.063 0.000 0.965 126 S CB -0.600 62.590 63.200 -0.016 0.000 0.785 126 S HN 0.333 nan 8.310 nan 0.000 0.495 127 C N 1.168 120.350 119.300 -0.196 0.000 2.453 127 C HA 0.077 4.537 4.460 -0.000 0.000 0.277 127 C C 2.791 177.821 174.990 0.067 0.000 1.262 127 C CA 0.586 59.569 59.018 -0.059 0.000 1.718 127 C CB -1.306 26.272 27.740 -0.270 0.000 2.031 127 C HN 0.541 nan 8.230 nan 0.000 0.480 128 V N 1.198 121.089 119.914 -0.038 0.000 2.427 128 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 128 V C 2.592 178.676 176.094 -0.017 0.000 1.051 128 V CA 2.054 64.332 62.300 -0.037 0.000 1.048 128 V CB -0.825 30.949 31.823 -0.080 0.000 0.666 128 V HN 0.533 nan 8.190 nan 0.000 0.456 129 R N 0.178 120.671 120.500 -0.011 0.000 2.081 129 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 129 R C 2.273 178.601 176.300 0.047 0.000 1.131 129 R CA 1.704 57.806 56.100 0.004 0.000 0.960 129 R CB -0.188 30.115 30.300 0.006 0.000 0.856 129 R HN 0.332 nan 8.270 nan 0.000 0.436 130 I N 1.133 121.743 120.570 0.067 0.000 2.226 130 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 130 I C 2.531 178.721 176.117 0.123 0.000 1.100 130 I CA 1.354 62.714 61.300 0.101 0.000 1.374 130 I CB -0.915 37.004 38.000 -0.135 0.000 1.057 130 I HN 0.441 nan 8.210 nan 0.000 0.413 131 M N 0.513 120.188 119.600 0.126 0.000 2.065 131 M HA -0.262 4.218 4.480 -0.000 0.000 0.259 131 M C 2.236 178.623 176.300 0.144 0.000 1.069 131 M CA 1.909 57.384 55.300 0.292 0.000 1.110 131 M CB -0.130 32.634 32.600 0.273 0.000 1.328 131 M HN 0.000 nan 8.290 nan 0.000 0.405 132 K N 0.177 120.588 120.400 0.019 0.000 2.057 132 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 132 K C 1.686 178.254 176.600 -0.053 0.000 1.050 132 K CA 1.625 57.891 56.287 -0.036 0.000 0.935 132 K CB -0.898 31.564 32.500 -0.064 0.000 0.715 132 K HN 0.438 nan 8.250 nan 0.000 0.439 133 D N -0.208 120.159 120.400 -0.055 0.000 2.117 133 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 133 D C 1.468 177.531 176.300 -0.395 0.000 0.987 133 D CA 1.246 55.123 54.000 -0.206 0.000 0.829 133 D CB 0.029 40.707 40.800 -0.203 0.000 0.961 133 D HN 0.206 nan 8.370 nan 0.000 0.460 134 Y N -1.047 119.155 120.300 -0.164 0.000 2.500 134 Y HA 0.301 4.851 4.550 -0.000 0.000 0.270 134 Y C 1.759 177.366 175.900 -0.488 0.000 1.134 134 Y CA 0.543 58.438 58.100 -0.342 0.000 1.293 134 Y CB 0.714 38.933 38.460 -0.402 0.000 1.063 134 Y HN 0.094 nan 8.280 nan 0.000 0.534 135 G N -0.452 108.214 108.800 -0.224 0.000 2.140 135 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.211 135 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.211 135 G C -0.190 174.644 174.900 -0.111 0.000 1.013 135 G CA -0.551 44.451 45.100 -0.164 0.000 0.705 135 G HN 0.111 nan 8.290 nan 0.000 0.508 136 F N 0.417 120.438 119.950 0.118 0.000 2.378 136 F HA 0.465 4.992 4.527 -0.000 0.000 0.319 136 F C 1.347 177.279 175.800 0.220 0.000 1.155 136 F CA -0.477 57.633 58.000 0.184 0.000 1.157 136 F CB 0.661 39.852 39.000 0.319 0.000 1.252 136 F HN -0.013 nan 8.300 nan 0.000 0.550 137 D N 0.116 120.802 120.400 0.476 0.000 2.398 137 D HA 0.297 4.937 4.640 -0.000 0.000 0.210 137 D C 0.619 177.170 176.300 0.419 0.000 1.094 137 D CA 0.433 54.690 54.000 0.428 0.000 0.839 137 D CB 0.797 41.754 40.800 0.261 0.000 0.963 137 D HN 0.622 nan 8.370 nan 0.000 0.506 138 G N -0.363 108.628 108.800 0.317 0.000 2.356 138 G HA2 0.347 4.307 3.960 -0.000 0.000 0.294 138 G HA3 0.347 4.307 3.960 -0.000 0.000 0.294 138 G C -1.830 173.029 174.900 -0.068 0.000 1.423 138 G CA -0.589 44.610 45.100 0.164 0.000 0.806 138 G HN -0.072 nan 8.290 nan 0.000 0.527 139 V N 0.649 120.432 119.914 -0.217 0.000 2.448 139 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 139 V C -0.926 174.953 176.094 -0.358 0.000 1.025 139 V CA -0.436 61.525 62.300 -0.565 0.000 0.859 139 V CB 1.676 33.266 31.823 -0.388 0.000 0.988 139 V HN 0.872 nan 8.190 nan 0.000 0.431 140 D N 4.121 124.269 120.400 -0.420 0.000 2.502 140 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 140 D C -0.856 175.420 176.300 -0.040 0.000 1.092 140 D CA -0.283 53.630 54.000 -0.146 0.000 0.839 140 D CB 1.363 42.101 40.800 -0.103 0.000 1.264 140 D HN 0.448 nan 8.370 nan 0.000 0.511 141 I N 2.941 123.565 120.570 0.090 0.000 2.378 141 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 141 I C -0.623 175.662 176.117 0.281 0.000 0.992 141 I CA -0.747 60.690 61.300 0.228 0.000 1.154 141 I CB 1.773 39.964 38.000 0.318 0.000 1.315 141 I HN 0.300 nan 8.210 nan 0.000 0.448 142 D N 6.036 126.605 120.400 0.281 0.000 2.863 142 D HA 0.094 4.733 4.640 -0.000 0.000 0.323 142 D C -0.792 175.546 176.300 0.063 0.000 1.286 142 D CA -0.200 53.915 54.000 0.193 0.000 0.921 142 D CB 0.387 41.334 40.800 0.244 0.000 1.024 142 D HN 0.325 nan 8.370 nan 0.000 0.505 143 W N 1.996 123.207 121.300 -0.149 0.000 2.335 143 W HA 0.279 4.939 4.660 -0.000 0.000 0.306 143 W C -0.446 175.706 176.519 -0.611 0.000 1.216 143 W CA -0.749 56.353 57.345 -0.405 0.000 1.237 143 W CB 0.465 29.743 29.460 -0.304 0.000 1.243 143 W HN 0.103 nan 8.180 nan 0.000 0.493 144 Q N 6.660 126.213 119.800 -0.411 0.000 2.626 144 Q HA 0.284 4.624 4.340 -0.000 0.000 0.239 144 Q C -1.578 173.994 176.000 -0.712 0.000 1.101 144 Q CA -0.194 54.804 55.803 -1.342 0.000 0.918 144 Q CB 0.970 29.012 28.738 -1.161 0.000 1.151 144 Q HN 0.367 nan 8.270 nan 0.000 0.531 145 Y N -0.061 120.102 120.300 -0.229 0.000 2.609 145 Y HA 0.396 4.946 4.550 -0.000 0.000 0.336 145 Y C -2.459 172.887 175.900 -0.924 0.000 1.129 145 Y CA -2.713 55.080 58.100 -0.512 0.000 1.040 145 Y CB 1.185 39.537 38.460 -0.181 0.000 1.310 145 Y HN 0.279 nan 8.280 nan 0.000 0.460 146 P HA 0.108 nan 4.420 nan 0.000 0.271 146 P C -1.186 175.829 177.300 -0.474 0.000 1.216 146 P CA -0.092 62.128 63.100 -1.468 0.000 0.776 146 P CB 1.135 31.681 31.700 -1.923 0.000 0.881 147 Q N 0.899 120.554 119.800 -0.243 0.000 2.193 147 Q HA 0.440 4.780 4.340 -0.000 0.000 0.246 147 Q C 1.629 177.599 176.000 -0.050 0.000 0.959 147 Q CA -0.744 55.020 55.803 -0.065 0.000 0.904 147 Q CB 1.031 29.777 28.738 0.013 0.000 1.238 147 Q HN 0.442 nan 8.270 nan 0.000 0.469 148 A N 1.237 124.048 122.820 -0.016 0.000 1.929 148 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 148 A C 1.988 179.576 177.584 0.007 0.000 1.211 148 A CA 2.622 54.657 52.037 -0.004 0.000 0.657 148 A CB -1.173 17.822 19.000 -0.009 0.000 0.827 148 A HN 0.838 nan 8.150 nan 0.000 0.462 149 A N -0.960 121.867 122.820 0.013 0.000 2.066 149 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 149 A C 1.754 179.361 177.584 0.037 0.000 1.157 149 A CA 1.487 53.541 52.037 0.027 0.000 0.670 149 A CB -0.338 18.682 19.000 0.032 0.000 0.804 149 A HN 0.677 nan 8.150 nan 0.000 0.453 150 E N -0.582 119.632 120.200 0.023 0.000 2.474 150 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 150 E C 1.532 178.149 176.600 0.027 0.000 1.041 150 E CA 0.264 56.689 56.400 0.042 0.000 0.874 150 E CB 0.176 29.900 29.700 0.040 0.000 0.914 150 E HN 0.354 nan 8.360 nan 0.000 0.498 151 V N 1.879 121.797 119.914 0.006 0.000 2.295 151 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 151 V C 1.604 177.783 176.094 0.141 0.000 1.049 151 V CA 1.992 64.329 62.300 0.062 0.000 1.024 151 V CB -0.346 31.517 31.823 0.066 0.000 0.648 151 V HN 0.239 nan 8.190 nan 0.000 0.447 152 D N 0.659 121.119 120.400 0.099 0.000 2.182 152 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 152 D C 2.183 178.549 176.300 0.110 0.000 0.986 152 D CA 1.619 55.673 54.000 0.091 0.000 0.847 152 D CB -0.513 40.326 40.800 0.065 0.000 0.942 152 D HN 0.491 nan 8.370 nan 0.000 0.467 153 G N -0.146 108.736 108.800 0.137 0.000 2.394 153 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 153 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 153 G C 1.461 176.495 174.900 0.222 0.000 1.165 153 G CA 0.129 45.323 45.100 0.155 0.000 0.784 153 G HN 0.215 nan 8.290 nan 0.000 0.535 154 F N 1.585 121.586 119.950 0.086 0.000 2.102 154 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 154 F C 2.467 178.310 175.800 0.072 0.000 1.105 154 F CA 1.068 59.130 58.000 0.104 0.000 1.239 154 F CB -0.300 38.694 39.000 -0.009 0.000 0.991 154 F HN 0.095 nan 8.300 nan 0.000 0.474 155 I N 0.237 120.838 120.570 0.053 0.000 2.163 155 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 155 I C 2.671 178.756 176.117 -0.054 0.000 1.085 155 I CA 1.433 62.697 61.300 -0.061 0.000 1.347 155 I CB -0.980 37.035 38.000 0.024 0.000 1.044 155 I HN 0.234 nan 8.210 nan 0.000 0.408 156 A N 0.533 123.361 122.820 0.014 0.000 1.972 156 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 156 A C 2.515 180.111 177.584 0.019 0.000 1.169 156 A CA 1.746 53.795 52.037 0.020 0.000 0.635 156 A CB -0.746 18.281 19.000 0.045 0.000 0.810 156 A HN 0.449 nan 8.150 nan 0.000 0.446 157 A N -0.176 122.668 122.820 0.041 0.000 1.898 157 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 157 A C 2.132 179.716 177.584 0.000 0.000 1.181 157 A CA 1.423 53.512 52.037 0.087 0.000 0.620 157 A CB -0.562 18.562 19.000 0.208 0.000 0.819 157 A HN 0.466 nan 8.150 nan 0.000 0.442 158 L N -0.982 120.167 121.223 -0.124 0.000 2.093 158 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 158 L C 2.830 179.643 176.870 -0.094 0.000 1.085 158 L CA 1.401 56.144 54.840 -0.162 0.000 0.755 158 L CB -0.549 41.328 42.059 -0.303 0.000 0.904 158 L HN 0.471 nan 8.230 nan 0.000 0.435 159 Q N -0.430 119.328 119.800 -0.070 0.000 2.119 159 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 159 Q C 2.114 178.096 176.000 -0.029 0.000 0.972 159 Q CA 1.359 57.137 55.803 -0.042 0.000 0.847 159 Q CB 0.005 28.728 28.738 -0.026 0.000 0.903 159 Q HN 0.283 nan 8.270 nan 0.000 0.433 160 E N 0.961 121.149 120.200 -0.021 0.000 2.051 160 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 160 E C 1.665 178.243 176.600 -0.037 0.000 0.991 160 E CA 1.114 57.503 56.400 -0.017 0.000 0.799 160 E CB -0.159 29.541 29.700 0.001 0.000 0.748 160 E HN 0.317 nan 8.360 nan 0.000 0.449 161 I N 0.255 120.791 120.570 -0.056 0.000 2.208 161 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 161 I C 2.487 178.573 176.117 -0.052 0.000 1.097 161 I CA 1.289 62.540 61.300 -0.081 0.000 1.363 161 I CB -0.281 37.653 38.000 -0.111 0.000 1.051 161 I HN 0.080 nan 8.210 nan 0.000 0.413 162 R N 1.128 121.602 120.500 -0.043 0.000 2.091 162 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 162 R C 2.124 178.417 176.300 -0.011 0.000 1.136 162 R CA 2.396 58.480 56.100 -0.026 0.000 0.959 162 R CB -1.236 29.045 30.300 -0.031 0.000 0.856 162 R HN 0.220 nan 8.270 nan 0.000 0.437 163 T N 1.383 115.929 114.554 -0.015 0.000 2.684 163 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 163 T C 1.740 176.438 174.700 -0.002 0.000 1.036 163 T CA 1.755 63.851 62.100 -0.006 0.000 1.148 163 T CB -0.229 68.635 68.868 -0.008 0.000 0.863 163 T HN 0.171 nan 8.240 nan 0.000 0.436 164 L N 0.298 121.513 121.223 -0.013 0.000 2.093 164 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 164 L C 2.506 179.376 176.870 -0.000 0.000 1.085 164 L CA 0.975 55.806 54.840 -0.015 0.000 0.755 164 L CB -0.610 41.426 42.059 -0.038 0.000 0.904 164 L HN 0.254 nan 8.230 nan 0.000 0.435 165 L N -0.330 120.897 121.223 0.006 0.000 2.056 165 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 165 L C 2.303 179.246 176.870 0.122 0.000 1.078 165 L CA 1.008 55.881 54.840 0.055 0.000 0.749 165 L CB -0.528 41.567 42.059 0.060 0.000 0.901 165 L HN 0.330 nan 8.230 nan 0.000 0.433 166 N N -0.143 118.600 118.700 0.071 0.000 2.166 166 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 166 N C 1.854 177.404 175.510 0.066 0.000 1.019 166 N CA 1.058 54.147 53.050 0.065 0.000 0.856 166 N CB -0.126 38.379 38.487 0.030 0.000 0.993 166 N HN 0.392 nan 8.380 nan 0.000 0.426 167 Q N -0.065 119.767 119.800 0.053 0.000 2.079 167 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 167 Q C 1.889 177.933 176.000 0.075 0.000 0.974 167 Q CA 1.116 56.947 55.803 0.046 0.000 0.840 167 Q CB -0.084 28.670 28.738 0.026 0.000 0.898 167 Q HN 0.255 nan 8.270 nan 0.000 0.430 168 Q N 0.110 119.971 119.800 0.101 0.000 2.124 168 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 168 Q C 1.844 178.028 176.000 0.308 0.000 0.977 168 Q CA 1.806 57.702 55.803 0.155 0.000 0.850 168 Q CB -0.240 28.532 28.738 0.058 0.000 0.901 168 Q HN 0.266 nan 8.270 nan 0.000 0.429 169 T N 0.676 115.419 114.554 0.315 0.000 2.720 169 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 169 T C 1.467 176.196 174.700 0.048 0.000 1.037 169 T CA 1.254 63.430 62.100 0.126 0.000 1.144 169 T CB -0.115 68.774 68.868 0.036 0.000 0.864 169 T HN 0.200 nan 8.240 nan 0.000 0.444 170 I N 1.519 122.123 120.570 0.056 0.000 2.286 170 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 170 I C 2.614 178.752 176.117 0.035 0.000 1.104 170 I CA 1.402 62.719 61.300 0.028 0.000 1.397 170 I CB -1.837 36.177 38.000 0.024 0.000 1.072 170 I HN 0.234 nan 8.210 nan 0.000 0.417 171 T N 0.848 115.435 114.554 0.056 0.000 2.881 171 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 171 T C 1.093 175.828 174.700 0.058 0.000 1.068 171 T CA 1.310 63.441 62.100 0.051 0.000 1.131 171 T CB -0.160 68.741 68.868 0.055 0.000 0.871 171 T HN 0.254 nan 8.240 nan 0.000 0.479 172 D N -0.031 120.422 120.400 0.088 0.000 2.363 172 D HA 0.276 4.916 4.640 -0.000 0.000 0.214 172 D C 1.382 177.692 176.300 0.017 0.000 1.093 172 D CA 0.226 54.275 54.000 0.082 0.000 0.837 172 D CB -0.105 40.811 40.800 0.192 0.000 0.948 172 D HN 0.384 nan 8.370 nan 0.000 0.507 173 G N 1.906 110.706 108.800 0.000 0.000 2.249 173 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.273 173 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.273 173 G C 0.753 175.616 174.900 -0.062 0.000 1.036 173 G CA -0.181 44.904 45.100 -0.025 0.000 0.824 173 G HN 0.206 nan 8.290 nan 0.000 0.504 174 R N -0.617 119.817 120.500 -0.111 0.000 2.721 174 R HA 0.177 4.517 4.340 -0.000 0.000 0.296 174 R C 1.888 178.096 176.300 -0.154 0.000 1.174 174 R CA 0.081 56.066 56.100 -0.191 0.000 1.129 174 R CB 0.157 30.197 30.300 -0.433 0.000 1.316 174 R HN 0.553 nan 8.270 nan 0.000 0.571 175 Q N 0.390 120.135 119.800 -0.090 0.000 2.181 175 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 175 Q C 1.966 177.927 176.000 -0.065 0.000 0.980 175 Q CA 2.087 57.851 55.803 -0.066 0.000 0.862 175 Q CB -0.134 28.580 28.738 -0.041 0.000 0.905 175 Q HN 0.358 nan 8.270 nan 0.000 0.429 176 A N -0.694 122.086 122.820 -0.067 0.000 2.066 176 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 176 A C 0.769 178.315 177.584 -0.064 0.000 1.157 176 A CA 0.582 52.586 52.037 -0.055 0.000 0.670 176 A CB 0.273 19.245 19.000 -0.046 0.000 0.804 176 A HN 0.283 nan 8.150 nan 0.000 0.453 177 L N -0.142 121.021 121.223 -0.100 0.000 2.420 177 L HA 0.371 4.711 4.340 -0.000 0.000 0.260 177 L C -2.990 173.772 176.870 -0.181 0.000 1.508 177 L CA -1.608 53.167 54.840 -0.108 0.000 0.835 177 L CB 1.463 43.461 42.059 -0.102 0.000 1.018 177 L HN -0.140 nan 8.230 nan 0.000 0.520 178 P HA 0.062 nan 4.420 nan 0.000 0.268 178 P C -0.964 176.253 177.300 -0.139 0.000 1.208 178 P CA 0.262 63.256 63.100 -0.177 0.000 0.777 178 P CB 0.199 31.857 31.700 -0.070 0.000 0.875 179 Y N 0.690 121.007 120.300 0.028 0.000 2.497 179 Y HA 0.122 4.672 4.550 -0.000 0.000 0.334 179 Y C 1.376 177.296 175.900 0.034 0.000 1.199 179 Y CA 0.816 58.941 58.100 0.042 0.000 1.425 179 Y CB 0.082 38.568 38.460 0.044 0.000 1.291 179 Y HN 0.325 nan 8.280 nan 0.000 0.562 180 Q N 1.575 121.507 119.800 0.220 0.000 2.359 180 Q HA 0.672 5.012 4.340 -0.000 0.000 0.275 180 Q C -1.712 174.334 176.000 0.076 0.000 1.082 180 Q CA -1.377 54.504 55.803 0.129 0.000 0.849 180 Q CB 2.791 31.631 28.738 0.171 0.000 1.377 180 Q HN 0.521 nan 8.270 nan 0.000 0.452 181 L N 0.796 122.037 121.223 0.031 0.000 2.409 181 L HA 0.619 4.959 4.340 -0.000 0.000 0.272 181 L C -1.136 175.734 176.870 0.001 0.000 0.980 181 L CA 0.081 54.914 54.840 -0.012 0.000 0.826 181 L CB 2.111 44.149 42.059 -0.034 0.000 1.268 181 L HN 0.815 nan 8.230 nan 0.000 0.407 182 T N 2.828 117.386 114.554 0.006 0.000 2.865 182 T HA 0.825 5.175 4.350 -0.000 0.000 0.294 182 T C -0.406 174.329 174.700 0.059 0.000 1.119 182 T CA -0.627 61.502 62.100 0.049 0.000 1.007 182 T CB 1.589 70.503 68.868 0.077 0.000 1.225 182 T HN 0.852 nan 8.240 nan 0.000 0.515 183 I N -1.699 118.934 120.570 0.105 0.000 2.969 183 I HA 0.892 5.062 4.170 -0.000 0.000 0.307 183 I C -0.757 175.467 176.117 0.178 0.000 1.149 183 I CA -1.853 59.541 61.300 0.158 0.000 1.008 183 I CB 1.944 40.066 38.000 0.203 0.000 1.232 183 I HN 0.932 nan 8.210 nan 0.000 0.435 184 A N 2.994 125.941 122.820 0.212 0.000 2.260 184 A HA 0.778 5.098 4.320 -0.000 0.000 0.308 184 A C 0.164 177.878 177.584 0.217 0.000 1.254 184 A CA -0.117 52.051 52.037 0.218 0.000 0.874 184 A CB 0.232 19.381 19.000 0.248 0.000 1.153 184 A HN 1.081 nan 8.150 nan 0.000 0.527 185 G N 0.837 109.772 108.800 0.226 0.000 2.434 185 G HA2 0.623 4.583 3.960 -0.000 0.000 0.330 185 G HA3 0.623 4.583 3.960 -0.000 0.000 0.330 185 G C 0.251 175.361 174.900 0.350 0.000 1.155 185 G CA -0.056 45.241 45.100 0.329 0.000 0.917 185 G HN 1.376 nan 8.290 nan 0.000 0.493 186 A N -0.459 122.630 122.820 0.448 0.000 2.531 186 A HA 0.502 4.822 4.320 -0.000 0.000 0.236 186 A C 1.349 179.013 177.584 0.132 0.000 1.062 186 A CA 0.599 52.746 52.037 0.182 0.000 0.760 186 A CB 0.415 19.313 19.000 -0.170 0.000 0.995 186 A HN 1.469 nan 8.150 nan 0.000 0.501 187 G N 1.094 109.920 108.800 0.045 0.000 3.324 187 G HA2 0.475 4.435 3.960 -0.000 0.000 0.251 187 G HA3 0.475 4.435 3.960 -0.000 0.000 0.251 187 G C 0.403 175.306 174.900 0.006 0.000 1.072 187 G CA 0.594 45.693 45.100 -0.001 0.000 0.787 187 G HN 1.264 nan 8.290 nan 0.000 0.537 188 G N -1.366 107.440 108.800 0.011 0.000 2.638 188 G HA2 0.539 4.499 3.960 -0.000 0.000 0.302 188 G HA3 0.539 4.499 3.960 -0.000 0.000 0.302 188 G C 0.729 175.562 174.900 -0.112 0.000 1.365 188 G CA 0.313 45.405 45.100 -0.012 0.000 0.987 188 G HN 0.301 nan 8.290 nan 0.000 0.495 189 A N 1.145 123.835 122.820 -0.218 0.000 1.978 189 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 189 A C 1.910 179.206 177.584 -0.479 0.000 1.170 189 A CA 1.629 53.406 52.037 -0.433 0.000 0.636 189 A CB -0.535 18.155 19.000 -0.516 0.000 0.810 189 A HN 0.598 nan 8.150 nan 0.000 0.448 190 F N -1.223 118.586 119.950 -0.235 0.000 2.051 190 F HA -0.112 4.415 4.527 -0.000 0.000 0.296 190 F C 2.067 177.590 175.800 -0.461 0.000 1.122 190 F CA 1.566 59.352 58.000 -0.356 0.000 1.201 190 F CB -0.984 37.754 39.000 -0.438 0.000 0.978 190 F HN 0.221 nan 8.300 nan 0.000 0.472 191 F N -0.701 119.161 119.950 -0.146 0.000 2.206 191 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 191 F C 2.207 177.669 175.800 -0.564 0.000 1.090 191 F CA 0.515 58.263 58.000 -0.419 0.000 1.323 191 F CB -1.075 37.431 39.000 -0.823 0.000 1.028 191 F HN -0.103 nan 8.300 nan 0.000 0.492 192 L N 0.479 121.475 121.223 -0.378 0.000 2.127 192 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 192 L C 2.530 178.986 176.870 -0.690 0.000 1.089 192 L CA 2.035 56.500 54.840 -0.626 0.000 0.757 192 L CB -1.164 40.634 42.059 -0.434 0.000 0.899 192 L HN 0.198 nan 8.230 nan 0.000 0.434 193 S N -1.125 114.279 115.700 -0.493 0.000 2.465 193 S HA -0.214 4.256 4.470 -0.000 0.000 0.241 193 S C 2.027 176.450 174.600 -0.295 0.000 1.000 193 S CA 0.897 58.850 58.200 -0.412 0.000 0.964 193 S CB -0.659 62.325 63.200 -0.359 0.000 0.763 193 S HN 0.576 nan 8.310 nan 0.000 0.512 194 R N 0.240 120.570 120.500 -0.284 0.000 2.092 194 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 194 R C 1.648 177.917 176.300 -0.052 0.000 1.119 194 R CA 1.825 57.852 56.100 -0.122 0.000 0.970 194 R CB -0.325 29.971 30.300 -0.006 0.000 0.864 194 R HN 0.900 nan 8.270 nan 0.000 0.440 195 Y N -4.972 115.289 120.300 -0.065 0.000 2.563 195 Y HA 0.235 4.785 4.550 -0.000 0.000 0.250 195 Y C 1.330 177.225 175.900 -0.008 0.000 1.126 195 Y CA -1.273 56.800 58.100 -0.044 0.000 1.231 195 Y CB -0.685 37.742 38.460 -0.055 0.000 1.288 195 Y HN -0.123 nan 8.280 nan 0.000 0.537 196 Y N 2.829 122.883 120.300 -0.410 0.000 2.102 196 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 196 Y C 2.698 178.501 175.900 -0.160 0.000 1.178 196 Y CA 2.544 60.446 58.100 -0.330 0.000 1.146 196 Y CB -0.551 37.645 38.460 -0.439 0.000 0.968 196 Y HN 0.364 nan 8.280 nan 0.000 0.504 197 S N -0.655 114.963 115.700 -0.137 0.000 2.419 197 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 197 S C 1.355 175.880 174.600 -0.126 0.000 1.019 197 S CA 1.597 59.684 58.200 -0.189 0.000 0.982 197 S CB -0.421 62.705 63.200 -0.123 0.000 0.789 197 S HN 0.563 nan 8.310 nan 0.000 0.490 198 K N 0.407 120.783 120.400 -0.040 0.000 2.593 198 K HA 0.430 4.750 4.320 -0.000 0.000 0.208 198 K C 0.927 177.552 176.600 0.041 0.000 1.051 198 K CA -0.220 56.075 56.287 0.013 0.000 1.111 198 K CB 0.135 32.670 32.500 0.058 0.000 0.849 198 K HN 0.242 nan 8.250 nan 0.000 0.479 199 L N 0.776 121.988 121.223 -0.019 0.000 2.013 199 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 199 L C 2.389 179.283 176.870 0.040 0.000 1.073 199 L CA 1.726 56.585 54.840 0.031 0.000 0.753 199 L CB -0.367 41.619 42.059 -0.122 0.000 0.890 199 L HN 0.380 nan 8.230 nan 0.000 0.432 200 A N -0.796 122.025 122.820 0.002 0.000 1.908 200 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 200 A C 2.102 179.701 177.584 0.025 0.000 1.181 200 A CA 1.765 53.814 52.037 0.019 0.000 0.627 200 A CB -0.481 18.526 19.000 0.013 0.000 0.818 200 A HN 0.542 nan 8.150 nan 0.000 0.445 201 Q N -0.774 119.041 119.800 0.025 0.000 2.119 201 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 201 Q C 2.002 178.009 176.000 0.012 0.000 0.972 201 Q CA 1.280 57.095 55.803 0.020 0.000 0.847 201 Q CB -0.239 28.515 28.738 0.026 0.000 0.903 201 Q HN 0.748 nan 8.270 nan 0.000 0.433 202 I N -0.223 120.368 120.570 0.035 0.000 2.252 202 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 202 I C 1.992 178.112 176.117 0.005 0.000 1.102 202 I CA 0.802 62.113 61.300 0.018 0.000 1.385 202 I CB -0.021 38.032 38.000 0.089 0.000 1.064 202 I HN 0.025 nan 8.210 nan 0.000 0.414 203 V N 0.861 120.801 119.914 0.043 0.000 2.719 203 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 203 V C 2.641 178.740 176.094 0.007 0.000 1.065 203 V CA 1.366 63.691 62.300 0.043 0.000 1.086 203 V CB -0.745 31.127 31.823 0.082 0.000 0.700 203 V HN 0.438 nan 8.190 nan 0.000 0.467 204 A N 1.499 124.320 122.820 0.000 0.000 1.892 204 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 204 A C 0.620 178.188 177.584 -0.028 0.000 1.188 204 A CA 2.275 54.305 52.037 -0.011 0.000 0.631 204 A CB -1.787 17.209 19.000 -0.008 0.000 0.822 204 A HN 0.604 nan 8.150 nan 0.000 0.447 205 P HA 0.192 nan 4.420 nan 0.000 0.249 205 P C -0.071 177.197 177.300 -0.053 0.000 1.229 205 P CA 0.322 63.393 63.100 -0.048 0.000 0.788 205 P CB -0.083 31.580 31.700 -0.061 0.000 1.072 206 L N -0.201 120.991 121.223 -0.051 0.000 2.360 206 L HA 0.333 4.673 4.340 -0.000 0.000 0.271 206 L C 1.366 178.173 176.870 -0.105 0.000 1.057 206 L CA -0.671 54.137 54.840 -0.054 0.000 0.803 206 L CB 0.966 43.014 42.059 -0.019 0.000 1.207 206 L HN -0.270 nan 8.230 nan 0.000 0.445 207 D N 0.176 120.484 120.400 -0.153 0.000 2.183 207 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 207 D C -0.533 175.380 176.300 -0.645 0.000 0.962 207 D CA 1.669 55.436 54.000 -0.389 0.000 0.849 207 D CB 0.422 41.001 40.800 -0.368 0.000 0.978 207 D HN 0.295 nan 8.370 nan 0.000 0.488 208 Y N -0.726 119.568 120.300 -0.010 0.000 2.571 208 Y HA 0.424 4.974 4.550 -0.000 0.000 0.341 208 Y C -0.657 175.244 175.900 0.003 0.000 1.076 208 Y CA -0.957 57.134 58.100 -0.016 0.000 1.029 208 Y CB 2.082 40.505 38.460 -0.060 0.000 1.308 208 Y HN -0.288 nan 8.280 nan 0.000 0.461 209 I N 3.094 123.782 120.570 0.198 0.000 2.382 209 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 209 I C -1.290 174.893 176.117 0.110 0.000 1.002 209 I CA -0.650 60.737 61.300 0.145 0.000 1.135 209 I CB 0.546 38.635 38.000 0.149 0.000 1.288 209 I HN 0.586 nan 8.210 nan 0.000 0.448 210 N N 8.862 127.628 118.700 0.110 0.000 2.469 210 N HA 0.320 5.060 4.740 -0.000 0.000 0.239 210 N C -0.675 174.882 175.510 0.079 0.000 1.053 210 N CA -0.238 52.861 53.050 0.083 0.000 0.937 210 N CB 1.298 39.847 38.487 0.104 0.000 1.163 210 N HN 0.571 nan 8.380 nan 0.000 0.509 211 L N 1.881 123.111 121.223 0.012 0.000 2.410 211 L HA 0.202 4.541 4.340 -0.000 0.000 0.273 211 L C 1.151 177.966 176.870 -0.092 0.000 1.152 211 L CA 0.118 54.937 54.840 -0.035 0.000 0.855 211 L CB 0.326 42.316 42.059 -0.115 0.000 1.129 211 L HN 0.341 nan 8.230 nan 0.000 0.463 212 M N 3.298 122.802 119.600 -0.160 0.000 3.586 212 M HA 0.057 4.537 4.480 -0.000 0.000 0.225 212 M C 0.319 176.183 176.300 -0.728 0.000 1.428 212 M CA -0.160 54.796 55.300 -0.573 0.000 1.613 212 M CB -0.461 31.939 32.600 -0.332 0.000 1.063 212 M HN 0.559 nan 8.290 nan 0.000 0.593 213 T N 0.014 114.255 114.554 -0.522 0.000 4.309 213 T HA 0.286 4.636 4.350 -0.000 0.000 0.242 213 T C -0.562 174.072 174.700 -0.109 0.000 1.142 213 T CA -0.235 61.724 62.100 -0.235 0.000 1.042 213 T CB -1.118 67.707 68.868 -0.072 0.000 1.366 213 T HN 0.511 nan 8.240 nan 0.000 0.942 214 Y N -2.954 117.417 120.300 0.118 0.000 2.788 214 Y HA 0.528 5.078 4.550 -0.000 0.000 0.335 214 Y C -0.387 175.618 175.900 0.174 0.000 1.287 214 Y CA -1.980 56.198 58.100 0.130 0.000 1.068 214 Y CB -0.100 38.438 38.460 0.130 0.000 1.340 214 Y HN 0.120 nan 8.280 nan 0.000 0.449 215 D N 0.156 120.853 120.400 0.496 0.000 2.837 215 D HA -0.160 4.480 4.640 -0.000 0.000 0.230 215 D C 0.320 176.860 176.300 0.401 0.000 1.152 215 D CA 1.207 55.493 54.000 0.476 0.000 0.736 215 D CB -0.996 40.083 40.800 0.464 0.000 1.084 215 D HN 0.725 nan 8.370 nan 0.000 0.429 216 L N -1.559 119.824 121.223 0.266 0.000 2.591 216 L HA 0.342 4.682 4.340 -0.000 0.000 0.228 216 L C 1.132 178.094 176.870 0.153 0.000 1.133 216 L CA 0.585 55.524 54.840 0.165 0.000 0.880 216 L CB 0.045 42.149 42.059 0.075 0.000 1.033 216 L HN 0.204 nan 8.230 nan 0.000 0.450 217 A N -0.648 122.284 122.820 0.187 0.000 2.556 217 A HA 0.870 5.190 4.320 -0.000 0.000 0.294 217 A C -0.413 177.097 177.584 -0.123 0.000 1.091 217 A CA 0.005 52.104 52.037 0.103 0.000 0.704 217 A CB 1.756 20.858 19.000 0.170 0.000 1.300 217 A HN 0.080 nan 8.150 nan 0.000 0.406 218 G N -0.487 108.035 108.800 -0.463 0.000 2.356 218 G HA2 0.554 4.514 3.960 -0.000 0.000 0.294 218 G HA3 0.554 4.514 3.960 -0.000 0.000 0.294 218 G C -2.722 171.607 174.900 -0.952 0.000 1.423 218 G CA 0.045 44.405 45.100 -1.233 0.000 0.806 218 G HN 0.448 nan 8.290 nan 0.000 0.527 219 P HA -0.050 nan 4.420 nan 0.000 0.225 219 P C 1.285 178.643 177.300 0.097 0.000 1.148 219 P CA 1.430 64.394 63.100 -0.228 0.000 0.779 219 P CB -0.065 31.551 31.700 -0.139 0.000 0.780 220 W N -0.146 121.261 121.300 0.178 0.000 2.800 220 W HA 0.243 4.903 4.660 -0.000 0.000 0.249 220 W C 0.325 176.953 176.519 0.181 0.000 1.294 220 W CA -0.164 57.270 57.345 0.148 0.000 1.402 220 W CB -0.934 28.572 29.460 0.077 0.000 1.126 220 W HN -0.225 nan 8.180 nan 0.000 0.652 221 E N 1.363 121.544 120.200 -0.031 0.000 2.214 221 E HA 0.143 4.493 4.350 -0.000 0.000 0.274 221 E C 0.688 177.443 176.600 0.258 0.000 0.977 221 E CA -0.424 56.059 56.400 0.137 0.000 0.827 221 E CB 1.673 31.428 29.700 0.092 0.000 1.130 221 E HN 0.128 nan 8.360 nan 0.000 0.394 222 K N 0.175 120.669 120.400 0.157 0.000 2.228 222 K HA 0.070 4.390 4.320 -0.000 0.000 0.202 222 K C 0.416 177.075 176.600 0.099 0.000 1.051 222 K CA 0.504 56.840 56.287 0.081 0.000 0.960 222 K CB 0.407 32.903 32.500 -0.008 0.000 0.743 222 K HN 0.141 nan 8.250 nan 0.000 0.458 223 V N 2.667 122.619 119.914 0.062 0.000 2.398 223 V HA 0.063 4.183 4.120 -0.000 0.000 0.286 223 V C 0.292 176.296 176.094 -0.149 0.000 1.026 223 V CA -0.979 61.304 62.300 -0.028 0.000 0.868 223 V CB 1.292 33.069 31.823 -0.076 0.000 0.982 223 V HN 0.296 nan 8.190 nan 0.000 0.443 224 T N 2.545 116.863 114.554 -0.394 0.000 2.932 224 T HA 0.292 4.642 4.350 -0.000 0.000 0.312 224 T C -0.185 174.141 174.700 -0.624 0.000 1.071 224 T CA -0.178 61.354 62.100 -0.946 0.000 1.128 224 T CB 0.689 68.727 68.868 -1.384 0.000 0.984 224 T HN 0.849 nan 8.240 nan 0.000 0.549 225 N N -0.297 118.109 118.700 -0.489 0.000 3.046 225 N HA 0.104 4.844 4.740 -0.000 0.000 0.243 225 N C -1.379 174.095 175.510 -0.061 0.000 1.452 225 N CA -0.845 52.098 53.050 -0.178 0.000 0.882 225 N CB 1.182 39.717 38.487 0.081 0.000 1.425 225 N HN 0.703 nan 8.380 nan 0.000 0.517 226 H N 1.509 120.669 119.070 0.150 0.000 2.764 226 H HA 0.020 4.576 4.556 -0.000 0.000 0.341 226 H C 0.396 175.798 175.328 0.123 0.000 1.072 226 H CA 0.435 56.558 56.048 0.125 0.000 1.444 226 H CB 1.530 31.310 29.762 0.031 0.000 1.458 226 H HN 0.601 nan 8.280 nan 0.000 0.572 227 Q N 1.803 121.733 119.800 0.217 0.000 2.432 227 Q HA 0.218 4.558 4.340 -0.000 0.000 0.205 227 Q C 0.367 176.475 176.000 0.179 0.000 0.945 227 Q CA 0.743 56.666 55.803 0.199 0.000 0.924 227 Q CB 0.762 29.624 28.738 0.207 0.000 1.016 227 Q HN 0.501 nan 8.270 nan 0.000 0.503 228 A N 0.445 123.352 122.820 0.145 0.000 3.165 228 A HA 0.671 4.991 4.320 -0.000 0.000 0.212 228 A C -0.126 177.470 177.584 0.020 0.000 0.935 228 A CA -0.258 51.842 52.037 0.104 0.000 1.100 228 A CB 0.136 19.226 19.000 0.149 0.000 1.260 228 A HN 0.360 nan 8.150 nan 0.000 0.532 229 A N 0.034 122.861 122.820 0.011 0.000 2.511 229 A HA 0.427 4.747 4.320 -0.000 0.000 0.242 229 A C 1.167 178.654 177.584 -0.163 0.000 1.069 229 A CA 0.171 52.150 52.037 -0.096 0.000 0.763 229 A CB 0.109 19.082 19.000 -0.045 0.000 1.001 229 A HN 1.345 nan 8.150 nan 0.000 0.498 230 L N 2.713 123.768 121.223 -0.281 0.000 2.044 230 L HA 0.254 4.593 4.340 -0.000 0.000 0.205 230 L C 0.086 176.561 176.870 -0.658 0.000 1.075 230 L CA 1.762 56.275 54.840 -0.545 0.000 0.747 230 L CB -0.489 41.163 42.059 -0.678 0.000 0.903 230 L HN 0.609 nan 8.230 nan 0.000 0.435 231 F N -1.291 118.603 119.950 -0.094 0.000 2.618 231 F HA 0.658 5.185 4.527 -0.000 0.000 0.332 231 F C 0.905 176.683 175.800 -0.037 0.000 1.061 231 F CA -0.860 57.118 58.000 -0.037 0.000 0.974 231 F CB 0.457 39.447 39.000 -0.017 0.000 1.310 231 F HN -0.128 nan 8.300 nan 0.000 0.491 232 G N -0.322 108.610 108.800 0.220 0.000 2.476 232 G HA2 0.420 4.380 3.960 -0.000 0.000 0.286 232 G HA3 0.420 4.380 3.960 -0.000 0.000 0.286 232 G C -1.729 173.200 174.900 0.050 0.000 1.177 232 G CA -0.212 44.950 45.100 0.102 0.000 0.870 232 G HN 0.499 nan 8.290 nan 0.000 0.528 233 D N 0.635 121.038 120.400 0.005 0.000 2.440 233 D HA 0.445 5.085 4.640 -0.000 0.000 0.239 233 D C 1.146 177.387 176.300 -0.098 0.000 1.084 233 D CA -0.204 53.781 54.000 -0.025 0.000 0.843 233 D CB 1.555 42.369 40.800 0.023 0.000 1.097 233 D HN 0.311 nan 8.370 nan 0.000 0.531 234 A N 3.507 126.281 122.820 -0.076 0.000 2.084 234 A HA -0.062 4.258 4.320 -0.000 0.000 0.221 234 A C 1.903 179.386 177.584 -0.169 0.000 1.161 234 A CA 1.885 53.862 52.037 -0.099 0.000 0.653 234 A CB -0.334 18.629 19.000 -0.061 0.000 0.802 234 A HN 0.614 nan 8.150 nan 0.000 0.457 235 A N -0.650 122.049 122.820 -0.203 0.000 2.123 235 A HA 0.433 4.753 4.320 -0.000 0.000 0.214 235 A C 1.441 178.603 177.584 -0.704 0.000 1.152 235 A CA 0.895 52.765 52.037 -0.279 0.000 0.728 235 A CB -0.686 18.253 19.000 -0.101 0.000 0.814 235 A HN 0.694 nan 8.150 nan 0.000 0.464 236 G N 0.088 108.334 108.800 -0.922 0.000 2.547 236 G HA2 0.491 4.451 3.960 -0.000 0.000 0.291 236 G HA3 0.491 4.451 3.960 -0.000 0.000 0.291 236 G C -2.381 172.153 174.900 -0.611 0.000 1.211 236 G CA -1.347 42.931 45.100 -1.371 0.000 0.950 236 G HN 0.179 nan 8.290 nan 0.000 0.504 237 P HA 0.210 nan 4.420 nan 0.000 0.270 237 P C -0.139 176.965 177.300 -0.327 0.000 1.223 237 P CA 0.107 62.986 63.100 -0.368 0.000 0.785 237 P CB 0.981 32.465 31.700 -0.359 0.000 0.923 238 T N -1.858 112.446 114.554 -0.416 0.000 2.916 238 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 238 T C -0.771 173.652 174.700 -0.462 0.000 1.064 238 T CA -0.568 61.372 62.100 -0.268 0.000 1.011 238 T CB 1.042 69.833 68.868 -0.128 0.000 1.152 238 T HN 0.200 nan 8.240 nan 0.000 0.510 239 F N -0.386 119.502 119.950 -0.104 0.000 2.603 239 F HA 0.523 5.050 4.527 -0.000 0.000 0.317 239 F C -0.472 175.475 175.800 0.244 0.000 1.066 239 F CA -1.489 56.562 58.000 0.084 0.000 0.941 239 F CB 1.417 40.459 39.000 0.070 0.000 1.291 239 F HN 0.745 nan 8.300 nan 0.000 0.472 240 Y N 2.336 122.913 120.300 0.462 0.000 2.526 240 Y HA 0.094 4.644 4.550 -0.000 0.000 0.330 240 Y C 0.432 176.477 175.900 0.242 0.000 1.156 240 Y CA -0.166 58.128 58.100 0.323 0.000 1.419 240 Y CB 0.275 38.934 38.460 0.332 0.000 1.250 240 Y HN 0.459 nan 8.280 nan 0.000 0.540 241 N N 5.357 123.981 118.700 -0.126 0.000 2.555 241 N HA 0.122 4.862 4.740 -0.000 0.000 0.244 241 N C 0.550 175.871 175.510 -0.315 0.000 1.114 241 N CA 0.589 53.484 53.050 -0.259 0.000 0.963 241 N CB 0.752 38.989 38.487 -0.417 0.000 1.276 241 N HN 0.907 nan 8.380 nan 0.000 0.510 242 A N 4.246 126.927 122.820 -0.232 0.000 2.032 242 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 242 A C 2.089 179.424 177.584 -0.416 0.000 1.165 242 A CA 0.956 52.902 52.037 -0.151 0.000 0.645 242 A CB -0.329 18.515 19.000 -0.261 0.000 0.807 242 A HN 0.736 nan 8.150 nan 0.000 0.453 243 L N -0.339 120.426 121.223 -0.763 0.000 2.191 243 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 243 L C 2.651 178.762 176.870 -1.266 0.000 1.103 243 L CA 1.540 55.651 54.840 -1.215 0.000 0.769 243 L CB -0.598 40.335 42.059 -1.877 0.000 0.908 243 L HN 0.620 nan 8.230 nan 0.000 0.438 244 R N -0.160 119.833 120.500 -0.845 0.000 2.328 244 R HA -0.093 4.247 4.340 -0.000 0.000 0.207 244 R C 0.972 177.129 176.300 -0.238 0.000 1.056 244 R CA 0.852 56.712 56.100 -0.398 0.000 1.016 244 R CB -0.151 30.048 30.300 -0.168 0.000 0.872 244 R HN 0.300 nan 8.270 nan 0.000 0.471 245 E N 0.778 120.834 120.200 -0.240 0.000 2.498 245 E HA 0.232 4.582 4.350 -0.000 0.000 0.203 245 E C 0.186 176.682 176.600 -0.173 0.000 1.013 245 E CA 0.173 56.498 56.400 -0.124 0.000 0.927 245 E CB 1.057 30.742 29.700 -0.025 0.000 1.012 245 E HN 0.422 nan 8.360 nan 0.000 0.482 246 A N 1.416 124.064 122.820 -0.286 0.000 2.386 246 A HA 0.135 4.455 4.320 -0.000 0.000 0.246 246 A C 0.234 177.701 177.584 -0.196 0.000 1.089 246 A CA -0.323 51.565 52.037 -0.249 0.000 0.790 246 A CB -0.093 18.731 19.000 -0.293 0.000 1.042 246 A HN 0.106 nan 8.150 nan 0.000 0.497 247 N N 1.054 119.666 118.700 -0.148 0.000 3.254 247 N HA 0.298 5.038 4.740 -0.000 0.000 0.308 247 N C 0.284 175.707 175.510 -0.146 0.000 1.281 247 N CA -0.014 52.970 53.050 -0.109 0.000 1.212 247 N CB 0.058 38.507 38.487 -0.064 0.000 1.478 247 N HN 0.585 nan 8.380 nan 0.000 0.548 248 L N -0.232 120.840 121.223 -0.252 0.000 2.202 248 L HA 0.221 4.561 4.340 -0.000 0.000 0.205 248 L C 1.640 178.409 176.870 -0.168 0.000 1.083 248 L CA 0.284 54.870 54.840 -0.423 0.000 0.790 248 L CB -0.099 41.299 42.059 -1.101 0.000 0.942 248 L HN 0.531 nan 8.230 nan 0.000 0.452 249 G N -1.332 107.447 108.800 -0.034 0.000 2.136 249 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 249 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 249 G C -0.227 174.869 174.900 0.325 0.000 0.989 249 G CA -0.331 44.850 45.100 0.134 0.000 0.682 249 G HN 0.084 nan 8.290 nan 0.000 0.522 250 W N 1.188 122.536 121.300 0.079 0.000 2.213 250 W HA 0.707 5.367 4.660 -0.000 0.000 0.356 250 W C 1.190 177.767 176.519 0.095 0.000 1.273 250 W CA -0.757 56.635 57.345 0.079 0.000 1.391 250 W CB 0.455 29.963 29.460 0.079 0.000 1.187 250 W HN 0.548 nan 8.180 nan 0.000 0.649 251 S N -0.026 115.873 115.700 0.332 0.000 2.645 251 S HA 0.074 4.544 4.470 -0.000 0.000 0.266 251 S C 0.604 175.387 174.600 0.304 0.000 1.258 251 S CA -0.482 57.886 58.200 0.279 0.000 0.990 251 S CB 0.809 64.147 63.200 0.229 0.000 0.967 251 S HN 0.586 nan 8.310 nan 0.000 0.556 252 W N 1.252 122.639 121.300 0.144 0.000 2.335 252 W HA -0.111 4.549 4.660 -0.000 0.000 0.311 252 W C 2.187 178.773 176.519 0.110 0.000 1.213 252 W CA 1.936 59.355 57.345 0.125 0.000 1.274 252 W CB -0.204 29.315 29.460 0.098 0.000 1.148 252 W HN 0.798 nan 8.180 nan 0.000 0.498 253 E N 0.316 120.799 120.200 0.471 0.000 2.118 253 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 253 E C 1.846 178.458 176.600 0.020 0.000 0.992 253 E CA 1.931 58.495 56.400 0.273 0.000 0.804 253 E CB -0.562 29.295 29.700 0.261 0.000 0.741 253 E HN 0.570 nan 8.360 nan 0.000 0.458 254 E N 0.466 120.690 120.200 0.041 0.000 2.047 254 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 254 E C 2.345 178.965 176.600 0.033 0.000 0.987 254 E CA 0.663 57.036 56.400 -0.044 0.000 0.799 254 E CB -0.075 29.578 29.700 -0.079 0.000 0.752 254 E HN 0.161 nan 8.360 nan 0.000 0.449 255 L N 0.490 121.802 121.223 0.148 0.000 2.046 255 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 255 L C 2.547 179.362 176.870 -0.093 0.000 1.077 255 L CA 1.225 56.180 54.840 0.192 0.000 0.747 255 L CB -0.530 41.607 42.059 0.130 0.000 0.896 255 L HN 0.181 nan 8.230 nan 0.000 0.432 256 T N -0.330 114.004 114.554 -0.366 0.000 2.746 256 T HA -0.195 4.154 4.350 -0.000 0.000 0.267 256 T C 1.851 176.368 174.700 -0.306 0.000 1.039 256 T CA 1.695 63.504 62.100 -0.485 0.000 1.142 256 T CB -0.229 68.081 68.868 -0.930 0.000 0.866 256 T HN 0.411 nan 8.240 nan 0.000 0.444 257 R N 1.503 121.850 120.500 -0.257 0.000 2.189 257 R HA 0.280 4.620 4.340 -0.000 0.000 0.218 257 R C 2.255 178.378 176.300 -0.295 0.000 1.074 257 R CA 1.230 57.196 56.100 -0.223 0.000 0.991 257 R CB -0.363 29.835 30.300 -0.170 0.000 0.883 257 R HN 0.302 nan 8.270 nan 0.000 0.457 258 A N 0.384 122.945 122.820 -0.433 0.000 1.984 258 A HA 0.212 4.532 4.320 -0.000 0.000 0.214 258 A C 0.112 177.227 177.584 -0.782 0.000 1.173 258 A CA 0.192 51.804 52.037 -0.707 0.000 0.673 258 A CB 0.118 18.481 19.000 -1.062 0.000 0.830 258 A HN 0.311 nan 8.150 nan 0.000 0.453 259 F N 1.035 120.927 119.950 -0.096 0.000 2.531 259 F HA 0.335 4.862 4.527 -0.000 0.000 0.333 259 F C -2.607 173.037 175.800 -0.261 0.000 1.292 259 F CA -3.681 54.209 58.000 -0.183 0.000 1.184 259 F CB 0.470 39.332 39.000 -0.230 0.000 1.426 259 F HN -0.035 nan 8.300 nan 0.000 0.559 260 P HA 0.081 nan 4.420 nan 0.000 0.266 260 P C -0.131 177.122 177.300 -0.079 0.000 1.195 260 P CA 0.302 63.312 63.100 -0.150 0.000 0.768 260 P CB 1.724 33.304 31.700 -0.200 0.000 0.838 261 S N 2.300 117.961 115.700 -0.064 0.000 2.572 261 S HA 0.557 5.027 4.470 -0.000 0.000 0.274 261 S C -2.601 171.989 174.600 -0.017 0.000 1.150 261 S CA -1.160 57.018 58.200 -0.036 0.000 0.944 261 S CB 0.716 63.778 63.200 -0.230 0.000 1.071 261 S HN 0.317 nan 8.310 nan 0.000 0.479 262 P HA 0.522 nan 4.420 nan 0.000 0.274 262 P C -0.912 176.538 177.300 0.249 0.000 1.256 262 P CA -0.269 62.914 63.100 0.139 0.000 0.795 262 P CB 0.242 31.988 31.700 0.076 0.000 1.038 263 F N -2.522 117.470 119.950 0.071 0.000 2.692 263 F HA 0.599 5.126 4.527 -0.000 0.000 0.320 263 F C -0.974 174.933 175.800 0.179 0.000 1.123 263 F CA -1.367 56.697 58.000 0.106 0.000 0.961 263 F CB 0.582 39.675 39.000 0.155 0.000 1.383 263 F HN 0.116 nan 8.300 nan 0.000 0.483 264 S N 1.981 117.647 115.700 -0.056 0.000 2.452 264 S HA 0.432 4.902 4.470 -0.000 0.000 0.284 264 S C -0.634 173.781 174.600 -0.309 0.000 1.171 264 S CA -0.408 57.714 58.200 -0.130 0.000 1.064 264 S CB 0.723 63.952 63.200 0.047 0.000 0.967 264 S HN 0.641 nan 8.310 nan 0.000 0.484 265 L N 6.045 127.034 121.223 -0.390 0.000 2.433 265 L HA 0.325 4.665 4.340 -0.000 0.000 0.284 265 L C 0.516 177.336 176.870 -0.085 0.000 1.120 265 L CA 0.631 55.256 54.840 -0.359 0.000 0.879 265 L CB -0.716 41.033 42.059 -0.516 0.000 1.232 265 L HN 0.806 nan 8.230 nan 0.000 0.454 266 T N 0.069 114.624 114.554 0.002 0.000 2.838 266 T HA 0.422 4.772 4.350 -0.000 0.000 0.292 266 T C 1.022 175.706 174.700 -0.027 0.000 1.113 266 T CA -0.479 61.621 62.100 -0.001 0.000 1.008 266 T CB 0.993 69.876 68.868 0.024 0.000 1.259 266 T HN -0.026 nan 8.240 nan 0.000 0.520 267 V N 0.779 120.632 119.914 -0.102 0.000 2.358 267 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 267 V C 2.532 178.528 176.094 -0.164 0.000 1.047 267 V CA 2.473 64.691 62.300 -0.136 0.000 1.035 267 V CB -1.045 30.657 31.823 -0.202 0.000 0.658 267 V HN 1.101 nan 8.190 nan 0.000 0.452 268 D N 0.554 120.798 120.400 -0.260 0.000 2.123 268 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 268 D C 2.079 178.446 176.300 0.111 0.000 0.992 268 D CA 1.607 55.547 54.000 -0.101 0.000 0.833 268 D CB -0.143 40.665 40.800 0.012 0.000 0.954 268 D HN 0.370 nan 8.370 nan 0.000 0.455 269 A N 0.567 123.439 122.820 0.085 0.000 1.877 269 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 269 A C 2.452 179.926 177.584 -0.183 0.000 1.186 269 A CA 2.387 54.383 52.037 -0.068 0.000 0.620 269 A CB -1.286 17.810 19.000 0.160 0.000 0.822 269 A HN 0.366 nan 8.150 nan 0.000 0.443 270 A N -0.626 122.175 122.820 -0.033 0.000 1.883 270 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 270 A C 2.264 179.945 177.584 0.163 0.000 1.186 270 A CA 1.944 54.005 52.037 0.040 0.000 0.624 270 A CB -1.044 17.978 19.000 0.036 0.000 0.822 270 A HN 0.419 nan 8.150 nan 0.000 0.444 271 V N 0.033 120.023 119.914 0.127 0.000 2.295 271 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 271 V C 2.730 178.962 176.094 0.231 0.000 1.049 271 V CA 2.058 64.475 62.300 0.194 0.000 1.024 271 V CB -0.774 31.228 31.823 0.299 0.000 0.648 271 V HN 0.545 nan 8.190 nan 0.000 0.447 272 Q N -0.245 119.672 119.800 0.195 0.000 2.170 272 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 272 Q C 2.233 178.315 176.000 0.135 0.000 0.976 272 Q CA 1.537 57.455 55.803 0.191 0.000 0.858 272 Q CB -0.393 28.508 28.738 0.272 0.000 0.907 272 Q HN 0.716 nan 8.270 nan 0.000 0.433 273 Q N -0.757 119.041 119.800 -0.003 0.000 2.167 273 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 273 Q C 1.752 177.889 176.000 0.228 0.000 0.970 273 Q CA 1.096 56.916 55.803 0.027 0.000 0.855 273 Q CB -0.104 28.497 28.738 -0.227 0.000 0.911 273 Q HN 0.542 nan 8.270 nan 0.000 0.438 274 H N 0.062 119.239 119.070 0.178 0.000 2.363 274 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 274 H C 1.775 177.193 175.328 0.150 0.000 1.074 274 H CA 1.105 57.267 56.048 0.191 0.000 1.354 274 H CB 0.031 29.883 29.762 0.150 0.000 1.397 274 H HN 0.108 nan 8.280 nan 0.000 0.516 275 L N -0.295 121.077 121.223 0.249 0.000 2.275 275 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 275 L C 1.923 178.878 176.870 0.143 0.000 1.119 275 L CA 0.690 55.633 54.840 0.171 0.000 0.790 275 L CB -0.288 41.861 42.059 0.150 0.000 0.919 275 L HN 0.356 nan 8.230 nan 0.000 0.443 276 M N -1.186 118.520 119.600 0.176 0.000 2.460 276 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 276 M C 0.407 176.801 176.300 0.156 0.000 1.071 276 M CA 0.884 56.285 55.300 0.168 0.000 1.096 276 M CB -0.004 32.739 32.600 0.238 0.000 1.408 276 M HN 0.154 nan 8.290 nan 0.000 0.463 277 M N 1.039 120.710 119.600 0.119 0.000 2.233 277 M HA 0.193 4.673 4.480 -0.000 0.000 0.355 277 M C -0.031 176.300 176.300 0.051 0.000 1.191 277 M CA -0.031 55.304 55.300 0.059 0.000 1.101 277 M CB 0.653 33.190 32.600 -0.105 0.000 1.592 277 M HN 0.081 nan 8.290 nan 0.000 0.461 278 E N 0.752 120.982 120.200 0.050 0.000 2.392 278 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 278 E C 0.948 177.569 176.600 0.034 0.000 1.024 278 E CA 0.396 56.819 56.400 0.038 0.000 0.903 278 E CB 0.327 30.047 29.700 0.033 0.000 0.963 278 E HN 0.948 nan 8.360 nan 0.000 0.432 279 G N 1.656 110.476 108.800 0.034 0.000 2.157 279 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 279 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 279 G C 0.040 174.963 174.900 0.038 0.000 0.979 279 G CA -0.051 45.068 45.100 0.031 0.000 0.650 279 G HN 0.392 nan 8.290 nan 0.000 0.529 280 V N 3.209 123.153 119.914 0.051 0.000 2.275 280 V HA 0.443 4.563 4.120 -0.000 0.000 0.272 280 V C -1.392 174.748 176.094 0.076 0.000 1.028 280 V CA -1.380 60.965 62.300 0.075 0.000 0.810 280 V CB 1.434 33.321 31.823 0.106 0.000 1.043 280 V HN 0.291 nan 8.190 nan 0.000 0.453 281 P HA 0.158 nan 4.420 nan 0.000 0.276 281 P C 1.034 178.374 177.300 0.067 0.000 1.230 281 P CA -0.079 63.052 63.100 0.051 0.000 0.776 281 P CB 1.554 33.272 31.700 0.030 0.000 0.888 282 S N 2.784 118.522 115.700 0.063 0.000 2.400 282 S HA -0.199 4.271 4.470 -0.000 0.000 0.232 282 S C 1.899 176.543 174.600 0.072 0.000 1.025 282 S CA 1.057 59.298 58.200 0.069 0.000 0.993 282 S CB -1.252 61.978 63.200 0.050 0.000 0.808 282 S HN 0.524 nan 8.310 nan 0.000 0.478 283 A N 1.630 124.486 122.820 0.061 0.000 2.125 283 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 283 A C 2.145 179.799 177.584 0.117 0.000 1.156 283 A CA 1.237 53.319 52.037 0.074 0.000 0.671 283 A CB -0.409 18.617 19.000 0.043 0.000 0.794 283 A HN 0.630 nan 8.150 nan 0.000 0.459 284 K N -0.800 119.657 120.400 0.095 0.000 2.367 284 K HA 0.278 4.598 4.320 -0.000 0.000 0.194 284 K C -0.327 176.393 176.600 0.200 0.000 1.027 284 K CA -0.030 56.327 56.287 0.117 0.000 1.075 284 K CB 0.268 32.787 32.500 0.031 0.000 0.845 284 K HN 0.446 nan 8.250 nan 0.000 0.529 285 I N 2.171 122.827 120.570 0.144 0.000 2.352 285 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 285 I C -0.309 175.859 176.117 0.086 0.000 1.036 285 I CA -0.491 60.866 61.300 0.095 0.000 1.336 285 I CB 1.171 39.209 38.000 0.065 0.000 1.407 285 I HN -0.274 nan 8.210 nan 0.000 0.497 286 V N 7.545 127.488 119.914 0.050 0.000 2.459 286 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 286 V C 0.128 176.238 176.094 0.025 0.000 1.029 286 V CA -0.707 61.593 62.300 0.000 0.000 0.874 286 V CB 1.860 33.621 31.823 -0.104 0.000 0.985 286 V HN 0.694 nan 8.190 nan 0.000 0.438 287 M N 4.276 123.913 119.600 0.063 0.000 2.105 287 M HA 0.509 4.989 4.480 -0.000 0.000 0.350 287 M C 0.501 176.874 176.300 0.122 0.000 1.308 287 M CA -0.166 55.186 55.300 0.087 0.000 1.108 287 M CB 0.445 33.122 32.600 0.128 0.000 1.622 287 M HN 0.806 nan 8.290 nan 0.000 0.468 288 G N 4.142 113.021 108.800 0.131 0.000 2.444 288 G HA2 0.532 4.492 3.960 -0.000 0.000 0.268 288 G HA3 0.532 4.492 3.960 -0.000 0.000 0.268 288 G C -0.809 174.344 174.900 0.422 0.000 1.203 288 G CA -0.527 44.754 45.100 0.302 0.000 0.835 288 G HN 0.818 nan 8.290 nan 0.000 0.543 289 V N -0.543 119.679 119.914 0.513 0.000 3.007 289 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 289 V C -2.727 173.602 176.094 0.392 0.000 1.120 289 V CA -2.683 59.898 62.300 0.468 0.000 0.980 289 V CB 2.609 34.580 31.823 0.246 0.000 1.033 289 V HN 0.653 nan 8.190 nan 0.000 0.429 290 P HA 0.469 nan 4.420 nan 0.000 0.296 290 P C -0.802 176.675 177.300 0.294 0.000 1.301 290 P CA -0.325 62.706 63.100 -0.114 0.000 0.862 290 P CB 1.518 32.781 31.700 -0.729 0.000 1.046 291 F N 2.181 122.161 119.950 0.049 0.000 2.660 291 F HA 0.226 4.753 4.527 -0.000 0.000 0.297 291 F C 0.435 176.299 175.800 0.107 0.000 1.132 291 F CA -0.474 57.564 58.000 0.063 0.000 1.372 291 F CB -0.686 38.329 39.000 0.026 0.000 1.003 291 F HN 0.251 nan 8.300 nan 0.000 0.524 292 Y N -2.606 117.824 120.300 0.217 0.000 2.615 292 Y HA 0.860 5.410 4.550 -0.000 0.000 0.341 292 Y C -0.171 175.810 175.900 0.136 0.000 1.089 292 Y CA -2.272 55.903 58.100 0.125 0.000 1.049 292 Y CB 0.888 39.399 38.460 0.086 0.000 1.296 292 Y HN -0.125 nan 8.280 nan 0.000 0.470 293 G N 1.007 109.912 108.800 0.173 0.000 2.511 293 G HA2 0.697 4.657 3.960 -0.000 0.000 0.318 293 G HA3 0.697 4.657 3.960 -0.000 0.000 0.318 293 G C -1.558 173.448 174.900 0.177 0.000 1.210 293 G CA -1.545 43.628 45.100 0.122 0.000 0.969 293 G HN 0.666 nan 8.290 nan 0.000 0.484 294 R N -0.207 120.372 120.500 0.131 0.000 2.445 294 R HA 0.640 4.980 4.340 -0.000 0.000 0.308 294 R C -0.382 175.933 176.300 0.024 0.000 0.961 294 R CA -0.468 55.665 56.100 0.054 0.000 0.862 294 R CB 2.071 32.389 30.300 0.031 0.000 1.144 294 R HN 0.619 nan 8.270 nan 0.000 0.447 295 A N 3.274 126.067 122.820 -0.045 0.000 2.340 295 A HA 0.777 5.097 4.320 -0.000 0.000 0.331 295 A C -1.183 176.487 177.584 0.143 0.000 1.140 295 A CA -0.486 51.645 52.037 0.155 0.000 0.801 295 A CB 0.697 19.809 19.000 0.188 0.000 1.234 295 A HN 0.558 nan 8.150 nan 0.000 0.469 296 F N 0.673 120.781 119.950 0.264 0.000 2.563 296 F HA 0.569 5.096 4.527 -0.000 0.000 0.316 296 F C 0.493 176.262 175.800 -0.052 0.000 1.076 296 F CA -0.537 57.520 58.000 0.095 0.000 0.921 296 F CB 2.434 41.419 39.000 -0.025 0.000 1.209 296 F HN 0.712 nan 8.300 nan 0.000 0.462 297 K N -0.334 119.940 120.400 -0.210 0.000 2.306 297 K HA 0.822 5.142 4.320 -0.000 0.000 0.236 297 K C 0.479 177.000 176.600 -0.131 0.000 1.013 297 K CA -0.676 55.356 56.287 -0.425 0.000 0.857 297 K CB 1.778 33.537 32.500 -1.235 0.000 1.214 297 K HN 0.875 nan 8.250 nan 0.000 0.449 298 G N -0.190 108.538 108.800 -0.121 0.000 2.198 298 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 298 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 298 G C 0.041 174.958 174.900 0.029 0.000 1.025 298 G CA 0.268 45.342 45.100 -0.042 0.000 0.769 298 G HN 0.910 nan 8.290 nan 0.000 0.507 299 V N -2.579 117.379 119.914 0.073 0.000 2.904 299 V HA 0.899 5.019 4.120 -0.000 0.000 0.305 299 V C 0.625 176.775 176.094 0.092 0.000 1.067 299 V CA -0.041 62.304 62.300 0.075 0.000 1.044 299 V CB 1.720 33.598 31.823 0.093 0.000 1.050 299 V HN 0.435 nan 8.190 nan 0.000 0.475 300 S N 1.197 116.921 115.700 0.041 0.000 2.745 300 S HA 0.808 5.278 4.470 -0.000 0.000 0.292 300 S C 0.342 174.966 174.600 0.041 0.000 1.133 300 S CA 0.016 58.245 58.200 0.048 0.000 0.998 300 S CB 1.518 64.717 63.200 -0.001 0.000 1.087 300 S HN 1.379 nan 8.310 nan 0.000 0.551 301 G N -1.237 107.597 108.800 0.056 0.000 2.522 301 G HA2 0.535 4.495 3.960 -0.000 0.000 0.304 301 G HA3 0.535 4.495 3.960 -0.000 0.000 0.304 301 G C 0.779 175.637 174.900 -0.070 0.000 1.210 301 G CA -0.067 45.036 45.100 0.005 0.000 0.960 301 G HN 1.327 nan 8.290 nan 0.000 0.497 302 G N -0.506 108.233 108.800 -0.103 0.000 2.391 302 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.204 302 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.204 302 G C 0.617 175.454 174.900 -0.105 0.000 1.012 302 G CA 0.385 45.438 45.100 -0.077 0.000 0.651 302 G HN 0.671 nan 8.290 nan 0.000 0.494 303 N N 0.811 119.395 118.700 -0.192 0.000 2.377 303 N HA 0.375 5.115 4.740 -0.000 0.000 0.259 303 N C 1.247 176.583 175.510 -0.289 0.000 1.332 303 N CA 0.853 53.782 53.050 -0.202 0.000 0.877 303 N CB 1.002 39.355 38.487 -0.223 0.000 1.299 303 N HN 1.455 nan 8.380 nan 0.000 0.501 304 G N 0.825 109.375 108.800 -0.418 0.000 2.198 304 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 304 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 304 G C 1.006 175.542 174.900 -0.607 0.000 1.025 304 G CA 0.787 45.547 45.100 -0.567 0.000 0.769 304 G HN 0.780 nan 8.290 nan 0.000 0.507 305 G N -1.933 106.448 108.800 -0.699 0.000 2.234 305 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.235 305 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.235 305 G C 0.401 174.734 174.900 -0.945 0.000 0.997 305 G CA 0.865 45.736 45.100 -0.382 0.000 0.623 305 G HN 1.235 nan 8.290 nan 0.000 0.514 306 Q N -0.591 118.565 119.800 -1.072 0.000 2.373 306 Q HA 0.478 4.818 4.340 -0.000 0.000 0.255 306 Q C 0.443 175.778 176.000 -1.108 0.000 0.980 306 Q CA -0.339 54.503 55.803 -1.602 0.000 0.882 306 Q CB 0.309 27.957 28.738 -1.816 0.000 1.249 306 Q HN 0.664 nan 8.270 nan 0.000 0.438 307 Y N -1.481 118.427 120.300 -0.653 0.000 3.589 307 Y HA -0.262 4.288 4.550 -0.000 0.000 0.218 307 Y C 0.002 175.703 175.900 -0.331 0.000 1.234 307 Y CA 0.734 58.589 58.100 -0.409 0.000 1.576 307 Y CB -2.355 35.930 38.460 -0.292 0.000 1.487 307 Y HN 0.505 nan 8.280 nan 0.000 0.616 308 S N -0.258 115.269 115.700 -0.289 0.000 2.607 308 S HA 0.816 5.286 4.470 -0.000 0.000 0.303 308 S C 0.384 174.912 174.600 -0.120 0.000 1.086 308 S CA -0.104 57.980 58.200 -0.193 0.000 0.995 308 S CB 1.415 64.483 63.200 -0.220 0.000 1.084 308 S HN 0.582 nan 8.310 nan 0.000 0.507 309 S N 1.491 117.150 115.700 -0.069 0.000 2.600 309 S HA 0.573 5.043 4.470 -0.000 0.000 0.265 309 S C -0.264 174.346 174.600 0.017 0.000 1.325 309 S CA -0.119 58.052 58.200 -0.049 0.000 1.002 309 S CB 0.063 63.218 63.200 -0.076 0.000 0.921 309 S HN 1.108 nan 8.310 nan 0.000 0.554 310 H N -2.424 116.624 119.070 -0.036 0.000 2.933 310 H HA 0.686 5.242 4.556 -0.000 0.000 0.310 310 H C -0.673 174.659 175.328 0.007 0.000 1.351 310 H CA -0.498 55.550 56.048 -0.001 0.000 1.137 310 H CB 0.942 30.755 29.762 0.084 0.000 1.853 310 H HN 0.582 nan 8.280 nan 0.000 0.539 311 S N -0.379 115.359 115.700 0.063 0.000 2.751 311 S HA 0.268 4.738 4.470 -0.000 0.000 0.247 311 S C -0.697 173.958 174.600 0.092 0.000 1.103 311 S CA -0.481 57.711 58.200 -0.013 0.000 1.090 311 S CB -0.650 62.516 63.200 -0.057 0.000 0.928 311 S HN 0.648 nan 8.310 nan 0.000 0.502 312 T N 4.500 119.285 114.554 0.383 0.000 2.771 312 T HA 0.464 4.814 4.350 -0.000 0.000 0.291 312 T C -2.756 172.136 174.700 0.321 0.000 0.954 312 T CA -1.258 61.050 62.100 0.347 0.000 1.045 312 T CB 0.937 69.996 68.868 0.318 0.000 0.917 312 T HN 0.177 nan 8.240 nan 0.000 0.484 313 P HA 0.229 nan 4.420 nan 0.000 0.268 313 P C 0.849 178.308 177.300 0.265 0.000 1.204 313 P CA -0.126 63.116 63.100 0.237 0.000 0.768 313 P CB 0.527 32.349 31.700 0.203 0.000 0.842 314 G N 1.866 110.809 108.800 0.238 0.000 2.986 314 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 314 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 314 G C 0.155 175.213 174.900 0.262 0.000 1.156 314 G CA 0.025 45.297 45.100 0.288 0.000 0.763 314 G HN 0.415 nan 8.290 nan 0.000 0.547 315 E N 1.108 121.424 120.200 0.194 0.000 2.374 315 E HA 0.405 4.755 4.350 -0.000 0.000 0.260 315 E C -0.813 175.882 176.600 0.159 0.000 1.101 315 E CA 0.027 56.520 56.400 0.154 0.000 0.907 315 E CB 0.983 30.746 29.700 0.105 0.000 1.014 315 E HN 0.017 nan 8.360 nan 0.000 0.427 316 D N 2.167 122.649 120.400 0.137 0.000 2.505 316 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 316 D C -1.965 174.404 176.300 0.115 0.000 1.082 316 D CA -1.214 52.865 54.000 0.133 0.000 0.839 316 D CB 1.227 42.103 40.800 0.127 0.000 1.317 316 D HN 0.313 nan 8.370 nan 0.000 0.497 317 P HA 0.106 nan 4.420 nan 0.000 0.274 317 P C -0.318 177.075 177.300 0.156 0.000 1.256 317 P CA -0.475 62.698 63.100 0.123 0.000 0.795 317 P CB 0.552 32.312 31.700 0.101 0.000 1.038 318 Y N 3.297 123.638 120.300 0.068 0.000 2.852 318 Y HA 0.001 4.551 4.550 0.000 0.000 0.343 318 Y C -1.297 174.657 175.900 0.090 0.000 1.280 318 Y CA -1.707 56.445 58.100 0.088 0.000 1.604 318 Y CB -0.210 38.303 38.460 0.089 0.000 1.216 318 Y HN 0.239 nan 8.280 nan 0.000 0.541 319 P HA 0.057 nan 4.420 nan 0.000 0.258 319 P C -0.568 176.502 177.300 -0.383 0.000 1.559 319 P CA 0.369 63.315 63.100 -0.257 0.000 0.855 319 P CB 0.184 31.807 31.700 -0.129 0.000 1.594 320 S N -1.622 113.705 115.700 -0.621 0.000 2.643 320 S HA 0.402 4.872 4.470 -0.000 0.000 0.270 320 S C 0.075 174.547 174.600 -0.214 0.000 1.166 320 S CA -0.227 57.717 58.200 -0.427 0.000 0.815 320 S CB 1.283 64.200 63.200 -0.471 0.000 1.139 320 S HN -0.072 nan 8.310 nan 0.000 0.472 321 T N 0.628 115.074 114.554 -0.180 0.000 3.084 321 T HA 0.289 4.639 4.350 -0.000 0.000 0.270 321 T C -0.550 173.738 174.700 -0.687 0.000 1.008 321 T CA -0.034 61.857 62.100 -0.348 0.000 0.900 321 T CB -0.362 68.390 68.868 -0.194 0.000 1.084 321 T HN 0.493 nan 8.240 nan 0.000 0.538 322 D N 1.635 121.868 120.400 -0.279 0.000 2.393 322 D HA 0.131 4.771 4.640 -0.000 0.000 0.232 322 D C -1.048 175.192 176.300 -0.100 0.000 1.192 322 D CA -0.399 53.528 54.000 -0.123 0.000 0.882 322 D CB 0.019 40.922 40.800 0.172 0.000 1.038 322 D HN 0.250 nan 8.370 nan 0.000 0.499 323 Y N 4.797 125.100 120.300 0.005 0.000 2.751 323 Y HA 0.167 4.717 4.550 -0.000 0.000 0.333 323 Y C 0.756 176.530 175.900 -0.210 0.000 1.122 323 Y CA -1.245 56.695 58.100 -0.266 0.000 1.367 323 Y CB -0.161 38.179 38.460 -0.201 0.000 1.242 323 Y HN 0.526 nan 8.280 nan 0.000 0.505 324 W N 1.130 122.479 121.300 0.083 0.000 3.256 324 W HA 0.229 4.889 4.660 -0.000 0.000 0.269 324 W C -0.568 175.939 176.519 -0.020 0.000 1.310 324 W CA -0.461 56.896 57.345 0.020 0.000 1.673 324 W CB 0.040 29.515 29.460 0.025 0.000 1.115 324 W HN 0.314 nan 8.180 nan 0.000 0.686 325 L N 3.265 124.421 121.223 -0.111 0.000 2.356 325 L HA 0.237 4.577 4.340 -0.000 0.000 0.282 325 L C 0.332 177.189 176.870 -0.022 0.000 1.132 325 L CA -0.742 54.096 54.840 -0.004 0.000 0.923 325 L CB 0.091 41.992 42.059 -0.264 0.000 1.278 325 L HN -0.210 nan 8.230 nan 0.000 0.436 326 V N 5.660 125.592 119.914 0.030 0.000 2.681 326 V HA 0.187 4.307 4.120 -0.000 0.000 0.306 326 V C 1.603 177.566 176.094 -0.218 0.000 1.077 326 V CA 1.171 63.428 62.300 -0.071 0.000 1.224 326 V CB -0.110 31.652 31.823 -0.102 0.000 0.879 326 V HN 1.062 nan 8.190 nan 0.000 0.494 327 G N 2.895 111.398 108.800 -0.495 0.000 2.179 327 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 327 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 327 G C 0.474 175.084 174.900 -0.483 0.000 0.977 327 G CA 0.046 44.565 45.100 -0.968 0.000 0.641 327 G HN 1.058 nan 8.290 nan 0.000 0.533 328 C N 1.925 121.039 119.300 -0.311 0.000 2.145 328 C HA 0.612 5.071 4.460 -0.000 0.000 0.374 328 C C 1.824 176.682 174.990 -0.221 0.000 1.035 328 C CA 0.080 58.943 59.018 -0.259 0.000 1.431 328 C CB -1.125 26.457 27.740 -0.264 0.000 1.789 328 C HN 0.548 nan 8.230 nan 0.000 0.483 329 E N 1.289 121.380 120.200 -0.181 0.000 2.110 329 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 329 E C 1.736 178.239 176.600 -0.162 0.000 0.988 329 E CA 1.443 57.756 56.400 -0.144 0.000 0.804 329 E CB 0.158 29.800 29.700 -0.096 0.000 0.745 329 E HN 0.791 nan 8.360 nan 0.000 0.458 330 E N 0.177 120.280 120.200 -0.161 0.000 2.204 330 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 330 E C 2.165 178.634 176.600 -0.218 0.000 0.990 330 E CA 0.815 57.121 56.400 -0.157 0.000 0.821 330 E CB -0.160 29.463 29.700 -0.129 0.000 0.750 330 E HN 0.310 nan 8.360 nan 0.000 0.477 331 C N 0.520 119.656 119.300 -0.274 0.000 2.422 331 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 331 C C 2.740 177.406 174.990 -0.540 0.000 1.305 331 C CA 0.237 59.028 59.018 -0.378 0.000 1.757 331 C CB -0.678 26.819 27.740 -0.405 0.000 1.962 331 C HN 0.254 nan 8.230 nan 0.000 0.499 332 V N 0.938 120.562 119.914 -0.483 0.000 2.323 332 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 332 V C 2.690 178.521 176.094 -0.438 0.000 1.041 332 V CA 1.944 63.879 62.300 -0.609 0.000 1.025 332 V CB -0.758 30.897 31.823 -0.281 0.000 0.656 332 V HN 0.504 nan 8.190 nan 0.000 0.451 333 R N 0.465 120.806 120.500 -0.265 0.000 2.096 333 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 333 R C 1.484 177.679 176.300 -0.175 0.000 1.139 333 R CA 2.225 58.223 56.100 -0.171 0.000 0.952 333 R CB -0.260 29.969 30.300 -0.118 0.000 0.854 333 R HN 0.501 nan 8.270 nan 0.000 0.436 334 D N 0.270 120.541 120.400 -0.215 0.000 2.339 334 D HA 0.034 4.674 4.640 -0.000 0.000 0.217 334 D C -0.217 175.954 176.300 -0.215 0.000 1.050 334 D CA 0.176 54.074 54.000 -0.170 0.000 0.856 334 D CB 0.295 41.014 40.800 -0.134 0.000 0.922 334 D HN 0.183 nan 8.370 nan 0.000 0.518 335 K N 1.242 121.405 120.400 -0.396 0.000 3.278 335 K HA -0.185 4.135 4.320 -0.000 0.000 0.270 335 K C -0.595 175.882 176.600 -0.204 0.000 0.955 335 K CA 0.549 56.575 56.287 -0.434 0.000 0.723 335 K CB -1.092 31.394 32.500 -0.024 0.000 1.382 335 K HN 0.114 nan 8.250 nan 0.000 0.461 336 D N -0.622 119.518 120.400 -0.433 0.000 2.548 336 D HA 0.099 4.739 4.640 -0.000 0.000 0.214 336 D C -2.355 173.565 176.300 -0.634 0.000 1.345 336 D CA -1.423 52.270 54.000 -0.512 0.000 0.945 336 D CB 1.492 42.134 40.800 -0.263 0.000 1.499 336 D HN -0.114 nan 8.370 nan 0.000 0.579 337 P HA 0.154 nan 4.420 nan 0.000 0.255 337 P C 0.682 177.478 177.300 -0.840 0.000 1.248 337 P CA -0.019 62.493 63.100 -0.981 0.000 0.807 337 P CB 0.419 31.162 31.700 -1.595 0.000 1.150 338 R N -0.501 119.662 120.500 -0.561 0.000 2.297 338 R HA 0.312 4.652 4.340 -0.000 0.000 0.197 338 R C 0.856 177.047 176.300 -0.182 0.000 0.943 338 R CA 0.392 56.333 56.100 -0.266 0.000 1.038 338 R CB 0.183 30.396 30.300 -0.145 0.000 0.957 338 R HN 0.246 nan 8.270 nan 0.000 0.484 339 I N 0.238 120.694 120.570 -0.191 0.000 2.619 339 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 339 I C -1.152 174.899 176.117 -0.109 0.000 1.100 339 I CA -0.995 60.254 61.300 -0.086 0.000 1.043 339 I CB 2.270 40.216 38.000 -0.091 0.000 1.239 339 I HN -0.092 nan 8.210 nan 0.000 0.420 340 A N 3.878 126.674 122.820 -0.040 0.000 2.455 340 A HA 0.692 5.012 4.320 -0.000 0.000 0.300 340 A C -0.245 177.331 177.584 -0.014 0.000 1.040 340 A CA -0.561 51.420 52.037 -0.093 0.000 0.697 340 A CB 1.690 20.580 19.000 -0.184 0.000 1.265 340 A HN 0.736 nan 8.150 nan 0.000 0.407 341 S N 1.387 117.065 115.700 -0.038 0.000 2.584 341 S HA 0.181 4.651 4.470 -0.000 0.000 0.270 341 S C 0.869 175.442 174.600 -0.045 0.000 1.346 341 S CA 0.300 58.502 58.200 0.004 0.000 1.018 341 S CB 0.119 63.285 63.200 -0.056 0.000 0.899 341 S HN 1.164 nan 8.310 nan 0.000 0.542 342 Y N 2.408 122.657 120.300 -0.085 0.000 2.207 342 Y HA -0.179 4.371 4.550 -0.000 0.000 0.287 342 Y C 2.684 178.488 175.900 -0.160 0.000 1.156 342 Y CA 2.122 60.134 58.100 -0.147 0.000 1.182 342 Y CB -0.341 38.004 38.460 -0.192 0.000 0.979 342 Y HN 0.848 nan 8.280 nan 0.000 0.521 343 R N -0.007 120.384 120.500 -0.181 0.000 2.096 343 R HA -0.292 4.048 4.340 -0.000 0.000 0.240 343 R C 2.344 178.482 176.300 -0.270 0.000 1.139 343 R CA 2.178 58.154 56.100 -0.206 0.000 0.952 343 R CB -0.401 29.855 30.300 -0.075 0.000 0.854 343 R HN 0.428 nan 8.270 nan 0.000 0.436 344 Q N 0.601 120.261 119.800 -0.232 0.000 2.079 344 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 344 Q C 2.122 177.931 176.000 -0.319 0.000 0.974 344 Q CA 1.566 57.230 55.803 -0.231 0.000 0.840 344 Q CB -0.201 28.417 28.738 -0.199 0.000 0.898 344 Q HN 0.477 nan 8.270 nan 0.000 0.430 345 L N 0.287 121.258 121.223 -0.420 0.000 2.083 345 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 345 L C 2.514 179.069 176.870 -0.525 0.000 1.083 345 L CA 1.788 56.306 54.840 -0.537 0.000 0.752 345 L CB -0.545 41.105 42.059 -0.682 0.000 0.899 345 L HN 0.421 nan 8.230 nan 0.000 0.433 346 E N 0.030 119.860 120.200 -0.617 0.000 2.077 346 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 346 E C 2.190 178.634 176.600 -0.260 0.000 0.989 346 E CA 1.192 57.296 56.400 -0.493 0.000 0.800 346 E CB 0.079 29.411 29.700 -0.614 0.000 0.746 346 E HN 0.530 nan 8.360 nan 0.000 0.452 347 Q N -0.320 119.348 119.800 -0.220 0.000 2.079 347 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 347 Q C 2.247 178.244 176.000 -0.006 0.000 0.974 347 Q CA 1.535 57.282 55.803 -0.093 0.000 0.840 347 Q CB -0.053 28.641 28.738 -0.075 0.000 0.898 347 Q HN 0.374 nan 8.270 nan 0.000 0.430 348 M N 0.228 119.786 119.600 -0.070 0.000 2.159 348 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 348 M C 2.071 178.457 176.300 0.144 0.000 1.063 348 M CA 1.313 56.648 55.300 0.059 0.000 1.110 348 M CB -0.153 32.283 32.600 -0.274 0.000 1.374 348 M HN 0.209 nan 8.290 nan 0.000 0.411 349 L N 0.184 121.378 121.223 -0.049 0.000 2.056 349 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 349 L C 2.737 179.623 176.870 0.025 0.000 1.078 349 L CA 1.432 56.268 54.840 -0.007 0.000 0.749 349 L CB -0.466 41.543 42.059 -0.083 0.000 0.901 349 L HN 0.475 nan 8.230 nan 0.000 0.433 350 Q N -0.514 119.284 119.800 -0.003 0.000 2.432 350 Q HA 0.066 4.406 4.340 -0.000 0.000 0.205 350 Q C 1.053 177.035 176.000 -0.029 0.000 0.945 350 Q CA 0.563 56.357 55.803 -0.015 0.000 0.924 350 Q CB -0.183 28.538 28.738 -0.028 0.000 1.016 350 Q HN 0.347 nan 8.270 nan 0.000 0.503 351 G N 1.642 110.438 108.800 -0.007 0.000 2.563 351 G HA2 0.113 4.073 3.960 -0.000 0.000 0.283 351 G HA3 0.113 4.073 3.960 -0.000 0.000 0.283 351 G C -0.719 174.014 174.900 -0.277 0.000 1.309 351 G CA -0.664 44.316 45.100 -0.199 0.000 1.022 351 G HN 0.222 nan 8.290 nan 0.000 0.501 352 N N -0.903 117.482 118.700 -0.525 0.000 2.990 352 N HA 0.271 5.011 4.740 -0.000 0.000 0.288 352 N C -0.553 174.761 175.510 -0.326 0.000 1.624 352 N CA -0.545 52.328 53.050 -0.296 0.000 0.961 352 N CB 0.169 38.525 38.487 -0.218 0.000 1.259 352 N HN 0.397 nan 8.380 nan 0.000 0.489 353 Y N -0.308 120.038 120.300 0.076 0.000 2.449 353 Y HA 0.352 4.902 4.550 -0.000 0.000 0.254 353 Y C 1.825 177.708 175.900 -0.030 0.000 1.140 353 Y CA 0.150 58.304 58.100 0.091 0.000 1.272 353 Y CB 0.562 39.168 38.460 0.244 0.000 1.114 353 Y HN 0.436 nan 8.280 nan 0.000 0.525 354 G N -1.170 107.614 108.800 -0.026 0.000 2.148 354 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.203 354 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.203 354 G C -0.377 174.200 174.900 -0.540 0.000 0.993 354 G CA -0.606 44.267 45.100 -0.377 0.000 0.661 354 G HN 0.240 nan 8.290 nan 0.000 0.518 355 Y N 0.393 120.674 120.300 -0.031 0.000 2.320 355 Y HA 0.632 5.182 4.550 -0.000 0.000 0.324 355 Y C 0.706 176.593 175.900 -0.022 0.000 1.190 355 Y CA -0.261 57.839 58.100 -0.000 0.000 1.215 355 Y CB 1.292 39.800 38.460 0.079 0.000 1.221 355 Y HN 0.227 nan 8.280 nan 0.000 0.486 356 Q N 3.336 123.231 119.800 0.159 0.000 2.331 356 Q HA 0.352 4.692 4.340 -0.000 0.000 0.267 356 Q C -0.900 175.163 176.000 0.105 0.000 1.006 356 Q CA -1.047 54.819 55.803 0.105 0.000 0.818 356 Q CB 1.186 29.981 28.738 0.095 0.000 1.276 356 Q HN 0.717 nan 8.270 nan 0.000 0.450 357 R N 4.785 125.328 120.500 0.071 0.000 2.265 357 R HA 0.434 4.774 4.340 -0.000 0.000 0.314 357 R C -1.187 175.089 176.300 -0.040 0.000 1.053 357 R CA -0.039 56.093 56.100 0.052 0.000 0.931 357 R CB 0.374 30.737 30.300 0.105 0.000 1.024 357 R HN 0.648 nan 8.270 nan 0.000 0.457 358 L N 3.455 124.527 121.223 -0.252 0.000 2.279 358 L HA 0.613 4.953 4.340 -0.000 0.000 0.262 358 L C -0.832 175.902 176.870 -0.228 0.000 1.019 358 L CA -1.041 53.568 54.840 -0.384 0.000 0.823 358 L CB 2.027 43.563 42.059 -0.872 0.000 1.358 358 L HN 0.639 nan 8.230 nan 0.000 0.432 359 W N 1.861 123.070 121.300 -0.152 0.000 2.957 359 W HA 0.332 4.992 4.660 0.000 0.000 0.336 359 W C -1.586 175.061 176.519 0.213 0.000 1.087 359 W CA -0.529 56.846 57.345 0.050 0.000 1.235 359 W CB 1.994 31.454 29.460 -0.001 0.000 1.399 359 W HN 0.446 nan 8.180 nan 0.000 0.480 360 N N 3.900 122.360 118.700 -0.401 0.000 2.457 360 N HA 0.038 4.778 4.740 -0.000 0.000 0.250 360 N C -0.023 175.103 175.510 -0.640 0.000 0.982 360 N CA 0.179 53.041 53.050 -0.313 0.000 0.941 360 N CB 1.262 39.532 38.487 -0.361 0.000 1.120 360 N HN 0.442 nan 8.380 nan 0.000 0.505 361 D N 2.537 122.822 120.400 -0.193 0.000 2.363 361 D HA 0.047 4.687 4.640 -0.000 0.000 0.226 361 D C 1.096 177.358 176.300 -0.064 0.000 1.020 361 D CA 0.859 54.855 54.000 -0.006 0.000 0.892 361 D CB 0.598 41.541 40.800 0.238 0.000 0.900 361 D HN 0.440 nan 8.370 nan 0.000 0.531 362 K N -1.011 119.320 120.400 -0.114 0.000 2.121 362 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 362 K C 2.073 178.632 176.600 -0.069 0.000 1.041 362 K CA 1.278 57.533 56.287 -0.054 0.000 0.969 362 K CB -0.510 31.973 32.500 -0.029 0.000 0.799 362 K HN 0.228 nan 8.250 nan 0.000 0.456 363 T N -0.556 113.864 114.554 -0.224 0.000 3.055 363 T HA 0.013 4.363 4.350 -0.000 0.000 0.265 363 T C 0.524 174.987 174.700 -0.395 0.000 1.111 363 T CA 0.231 62.161 62.100 -0.284 0.000 1.118 363 T CB -0.035 68.537 68.868 -0.495 0.000 0.909 363 T HN 0.013 nan 8.240 nan 0.000 0.501 364 K N 2.146 122.203 120.400 -0.571 0.000 3.125 364 K HA -0.118 4.201 4.320 -0.000 0.000 0.268 364 K C -0.002 176.053 176.600 -0.908 0.000 1.078 364 K CA 1.251 57.091 56.287 -0.746 0.000 0.775 364 K CB -2.811 29.379 32.500 -0.517 0.000 1.253 364 K HN 0.898 nan 8.250 nan 0.000 0.486 365 T N -2.483 111.341 114.554 -1.217 0.000 2.903 365 T HA 0.717 5.067 4.350 -0.000 0.000 0.299 365 T C -2.943 171.264 174.700 -0.823 0.000 1.093 365 T CA -1.769 59.822 62.100 -0.847 0.000 1.002 365 T CB 3.772 72.367 68.868 -0.454 0.000 1.127 365 T HN -0.158 nan 8.240 nan 0.000 0.488 366 P HA 0.561 nan 4.420 nan 0.000 0.283 366 P C -1.662 175.646 177.300 0.014 0.000 1.278 366 P CA -0.522 62.505 63.100 -0.121 0.000 0.834 366 P CB 0.746 32.305 31.700 -0.234 0.000 1.150 367 Y N -2.087 118.247 120.300 0.056 0.000 2.624 367 Y HA 0.648 5.198 4.550 -0.000 0.000 0.334 367 Y C -1.803 174.246 175.900 0.248 0.000 1.155 367 Y CA -1.436 56.736 58.100 0.120 0.000 1.046 367 Y CB 0.552 39.025 38.460 0.021 0.000 1.316 367 Y HN 0.101 nan 8.280 nan 0.000 0.457 368 L N 2.701 124.064 121.223 0.234 0.000 2.334 368 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 368 L C -1.450 175.661 176.870 0.401 0.000 1.013 368 L CA -1.137 53.833 54.840 0.217 0.000 0.816 368 L CB 2.050 44.172 42.059 0.106 0.000 1.278 368 L HN 0.766 nan 8.230 nan 0.000 0.431 369 Y N 1.986 122.448 120.300 0.270 0.000 2.406 369 Y HA 0.357 4.907 4.550 -0.000 0.000 0.340 369 Y C -0.897 175.152 175.900 0.247 0.000 0.975 369 Y CA -0.925 57.362 58.100 0.311 0.000 1.056 369 Y CB 1.216 39.832 38.460 0.260 0.000 1.210 369 Y HN 0.494 nan 8.280 nan 0.000 0.448 370 H N 6.036 124.917 119.070 -0.316 0.000 2.691 370 H HA 0.498 5.054 4.556 -0.000 0.000 0.281 370 H C 0.182 175.047 175.328 -0.771 0.000 1.121 370 H CA 0.532 56.294 56.048 -0.477 0.000 1.254 370 H CB 1.446 30.967 29.762 -0.402 0.000 1.390 370 H HN 0.969 nan 8.280 nan 0.000 0.491 371 A N 3.832 126.105 122.820 -0.912 0.000 1.933 371 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 371 A C 2.221 179.653 177.584 -0.254 0.000 1.175 371 A CA 1.530 53.163 52.037 -0.675 0.000 0.628 371 A CB -0.277 18.525 19.000 -0.329 0.000 0.814 371 A HN 0.786 nan 8.150 nan 0.000 0.444 372 Q N -0.574 119.103 119.800 -0.204 0.000 2.046 372 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 372 Q C 0.936 176.985 176.000 0.082 0.000 0.975 372 Q CA 1.786 57.575 55.803 -0.023 0.000 0.836 372 Q CB -0.080 28.655 28.738 -0.005 0.000 0.896 372 Q HN 0.636 nan 8.270 nan 0.000 0.428 373 N N -0.893 117.947 118.700 0.233 0.000 2.236 373 N HA 0.150 4.890 4.740 -0.000 0.000 0.196 373 N C -0.224 175.281 175.510 -0.008 0.000 1.114 373 N CA 0.823 53.886 53.050 0.023 0.000 0.859 373 N CB 1.191 39.546 38.487 -0.220 0.000 0.982 373 N HN 0.366 nan 8.380 nan 0.000 0.493 374 G N 0.940 109.754 108.800 0.024 0.000 2.324 374 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 374 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 374 G C -0.579 174.380 174.900 0.097 0.000 1.079 374 G CA -0.001 45.133 45.100 0.057 0.000 1.026 374 G HN 0.224 nan 8.290 nan 0.000 0.506 375 L N -0.820 120.491 121.223 0.147 0.000 2.342 375 L HA 0.887 5.227 4.340 -0.000 0.000 0.271 375 L C -0.180 176.982 176.870 0.487 0.000 1.008 375 L CA -1.353 53.648 54.840 0.268 0.000 0.818 375 L CB 2.007 44.222 42.059 0.260 0.000 1.296 375 L HN 0.178 nan 8.230 nan 0.000 0.427 376 F N 2.303 122.451 119.950 0.330 0.000 2.556 376 F HA 0.753 5.280 4.527 -0.000 0.000 0.314 376 F C -1.261 174.756 175.800 0.362 0.000 1.106 376 F CA -0.649 57.549 58.000 0.329 0.000 0.911 376 F CB 1.801 40.870 39.000 0.115 0.000 1.190 376 F HN 0.056 nan 8.300 nan 0.000 0.448 377 V N 4.253 123.947 119.914 -0.367 0.000 2.577 377 V HA 0.460 4.580 4.120 -0.000 0.000 0.303 377 V C -0.480 175.303 176.094 -0.518 0.000 1.042 377 V CA -0.717 61.411 62.300 -0.287 0.000 0.872 377 V CB 1.774 33.529 31.823 -0.114 0.000 0.998 377 V HN 0.862 nan 8.190 nan 0.000 0.423 378 T N 5.154 119.525 114.554 -0.306 0.000 2.771 378 T HA 0.773 5.123 4.350 -0.000 0.000 0.281 378 T C -0.941 173.858 174.700 0.164 0.000 0.982 378 T CA -0.194 61.845 62.100 -0.101 0.000 0.978 378 T CB 0.583 69.447 68.868 -0.006 0.000 0.930 378 T HN 0.838 nan 8.240 nan 0.000 0.447 379 Y N 1.411 121.688 120.300 -0.039 0.000 2.764 379 Y HA 0.809 5.359 4.550 -0.000 0.000 0.331 379 Y C -1.603 174.270 175.900 -0.045 0.000 1.280 379 Y CA -1.605 56.463 58.100 -0.053 0.000 1.065 379 Y CB 0.493 38.925 38.460 -0.047 0.000 1.319 379 Y HN 0.493 nan 8.280 nan 0.000 0.453 380 D N 0.409 120.706 120.400 -0.172 0.000 2.433 380 D HA 0.516 5.156 4.640 -0.000 0.000 0.236 380 D C -1.356 174.616 176.300 -0.548 0.000 1.026 380 D CA -0.122 53.640 54.000 -0.398 0.000 0.884 380 D CB 1.865 42.523 40.800 -0.236 0.000 1.384 380 D HN 0.722 nan 8.370 nan 0.000 0.477 381 D N -0.814 119.148 120.400 -0.730 0.000 2.798 381 D HA 0.423 5.063 4.640 -0.000 0.000 0.308 381 D C 0.360 176.163 176.300 -0.828 0.000 1.187 381 D CA -0.776 52.791 54.000 -0.722 0.000 1.033 381 D CB 0.307 41.024 40.800 -0.139 0.000 1.445 381 D HN 0.273 nan 8.370 nan 0.000 0.550 382 A N -0.633 121.895 122.820 -0.487 0.000 2.019 382 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 382 A C 1.869 179.473 177.584 0.032 0.000 1.164 382 A CA 2.168 54.095 52.037 -0.184 0.000 0.644 382 A CB -0.862 18.076 19.000 -0.102 0.000 0.805 382 A HN 0.589 nan 8.150 nan 0.000 0.449 383 E N 0.604 120.794 120.200 -0.017 0.000 2.051 383 E HA -0.119 4.231 4.350 -0.000 0.000 0.189 383 E C 2.256 179.038 176.600 0.303 0.000 0.979 383 E CA 1.648 58.081 56.400 0.054 0.000 0.803 383 E CB -0.285 29.355 29.700 -0.100 0.000 0.761 383 E HN 0.642 nan 8.360 nan 0.000 0.451 384 S N -0.348 115.547 115.700 0.324 0.000 2.423 384 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 384 S C 1.746 176.619 174.600 0.456 0.000 1.014 384 S CA 0.676 59.136 58.200 0.434 0.000 0.965 384 S CB -0.553 62.708 63.200 0.102 0.000 0.785 384 S HN 0.196 nan 8.310 nan 0.000 0.495 385 F N 2.421 122.467 119.950 0.160 0.000 2.451 385 F HA 0.235 4.762 4.527 -0.000 0.000 0.299 385 F C 2.201 178.023 175.800 0.036 0.000 1.101 385 F CA -0.124 57.960 58.000 0.140 0.000 1.436 385 F CB -0.680 38.407 39.000 0.144 0.000 1.074 385 F HN 0.281 nan 8.300 nan 0.000 0.553 386 K N -0.780 119.604 120.400 -0.027 0.000 2.057 386 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 386 K C 1.937 178.345 176.600 -0.321 0.000 1.050 386 K CA 1.658 57.570 56.287 -0.624 0.000 0.935 386 K CB -0.444 31.619 32.500 -0.728 0.000 0.715 386 K HN 0.228 nan 8.250 nan 0.000 0.439 387 Y N 1.277 121.622 120.300 0.074 0.000 2.220 387 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 387 Y C 2.158 178.148 175.900 0.150 0.000 1.129 387 Y CA 1.079 59.264 58.100 0.141 0.000 1.161 387 Y CB -0.077 38.491 38.460 0.181 0.000 0.997 387 Y HN -0.064 nan 8.280 nan 0.000 0.522 388 K N -0.080 120.488 120.400 0.281 0.000 2.097 388 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 388 K C 2.354 179.102 176.600 0.247 0.000 1.050 388 K CA 1.014 57.427 56.287 0.210 0.000 0.938 388 K CB -0.295 32.316 32.500 0.185 0.000 0.718 388 K HN 0.276 nan 8.250 nan 0.000 0.442 389 A N 1.710 124.630 122.820 0.167 0.000 1.930 389 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 389 A C 2.032 179.787 177.584 0.285 0.000 1.175 389 A CA 1.569 53.703 52.037 0.161 0.000 0.627 389 A CB -0.303 18.610 19.000 -0.146 0.000 0.815 389 A HN 0.210 nan 8.150 nan 0.000 0.443 390 K N -1.736 118.783 120.400 0.198 0.000 2.057 390 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 390 K C 1.892 178.657 176.600 0.276 0.000 1.049 390 K CA 1.654 58.069 56.287 0.214 0.000 0.931 390 K CB -0.414 32.174 32.500 0.147 0.000 0.714 390 K HN 0.500 nan 8.250 nan 0.000 0.440 391 Y N 1.198 121.612 120.300 0.191 0.000 2.181 391 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 391 Y C 1.754 177.758 175.900 0.173 0.000 1.146 391 Y CA 1.792 60.005 58.100 0.187 0.000 1.164 391 Y CB -0.049 38.495 38.460 0.140 0.000 0.982 391 Y HN 0.028 nan 8.280 nan 0.000 0.515 392 I N 0.134 120.933 120.570 0.381 0.000 2.264 392 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 392 I C 2.247 178.460 176.117 0.159 0.000 1.111 392 I CA 1.659 63.124 61.300 0.275 0.000 1.382 392 I CB -0.325 37.899 38.000 0.373 0.000 1.060 392 I HN 0.227 nan 8.210 nan 0.000 0.418 393 K N 0.218 120.745 120.400 0.211 0.000 2.031 393 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 393 K C 2.160 178.803 176.600 0.070 0.000 1.049 393 K CA 1.140 57.515 56.287 0.147 0.000 0.939 393 K CB -0.189 32.437 32.500 0.210 0.000 0.717 393 K HN 0.346 nan 8.250 nan 0.000 0.438 394 Q N 0.558 120.390 119.800 0.053 0.000 2.096 394 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 394 Q C 1.828 177.789 176.000 -0.064 0.000 0.982 394 Q CA 1.134 56.937 55.803 0.000 0.000 0.850 394 Q CB 0.107 28.845 28.738 -0.000 0.000 0.901 394 Q HN 0.238 nan 8.270 nan 0.000 0.422 395 Q N 0.133 119.841 119.800 -0.154 0.000 2.403 395 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 395 Q C -0.260 175.708 176.000 -0.053 0.000 0.932 395 Q CA 0.280 55.983 55.803 -0.166 0.000 0.945 395 Q CB 0.506 29.026 28.738 -0.363 0.000 1.045 395 Q HN 0.416 nan 8.270 nan 0.000 0.511 396 Q N 0.419 120.208 119.800 -0.017 0.000 2.453 396 Q HA -0.192 4.148 4.340 -0.000 0.000 0.294 396 Q C -0.529 175.484 176.000 0.021 0.000 1.295 396 Q CA 0.270 56.078 55.803 0.009 0.000 0.853 396 Q CB -2.034 26.710 28.738 0.010 0.000 1.193 396 Q HN 0.368 nan 8.270 nan 0.000 0.461 397 L N -1.533 119.707 121.223 0.028 0.000 2.475 397 L HA 0.251 4.591 4.340 -0.000 0.000 0.253 397 L C 1.840 178.730 176.870 0.033 0.000 1.198 397 L CA 0.508 55.379 54.840 0.051 0.000 0.814 397 L CB 0.154 42.264 42.059 0.084 0.000 1.134 397 L HN 0.327 nan 8.230 nan 0.000 0.478 398 G N -0.705 108.135 108.800 0.066 0.000 2.484 398 G HA2 0.354 4.314 3.960 -0.000 0.000 0.218 398 G HA3 0.354 4.314 3.960 -0.000 0.000 0.218 398 G C 0.556 175.405 174.900 -0.085 0.000 1.130 398 G CA 0.759 45.914 45.100 0.090 0.000 0.784 398 G HN 0.949 nan 8.290 nan 0.000 0.543 399 G N -2.018 106.706 108.800 -0.127 0.000 2.373 399 G HA2 0.372 4.332 3.960 -0.000 0.000 0.250 399 G HA3 0.372 4.332 3.960 -0.000 0.000 0.250 399 G C -1.739 173.135 174.900 -0.042 0.000 1.304 399 G CA 0.140 45.109 45.100 -0.218 0.000 0.948 399 G HN 0.836 nan 8.290 nan 0.000 0.474 400 V N 1.140 121.071 119.914 0.029 0.000 2.962 400 V HA 0.891 5.011 4.120 -0.000 0.000 0.313 400 V C -0.648 175.501 176.094 0.091 0.000 1.099 400 V CA -0.700 61.681 62.300 0.135 0.000 0.971 400 V CB 1.852 33.837 31.823 0.270 0.000 1.028 400 V HN 1.186 nan 8.190 nan 0.000 0.430 401 M N 6.398 126.077 119.600 0.133 0.000 2.572 401 M HA 0.695 5.175 4.480 -0.000 0.000 0.299 401 M C -2.101 174.365 176.300 0.276 0.000 1.205 401 M CA -0.541 54.820 55.300 0.102 0.000 0.876 401 M CB 2.015 34.678 32.600 0.105 0.000 1.728 401 M HN 0.776 nan 8.290 nan 0.000 0.458 402 F N 1.582 121.596 119.950 0.107 0.000 2.631 402 F HA 0.744 5.271 4.527 -0.000 0.000 0.308 402 F C -2.138 173.717 175.800 0.091 0.000 1.097 402 F CA -1.100 56.896 58.000 -0.006 0.000 0.952 402 F CB 1.151 39.843 39.000 -0.514 0.000 1.307 402 F HN 0.692 nan 8.300 nan 0.000 0.450 403 W N 5.354 126.707 121.300 0.088 0.000 2.411 403 W HA 0.575 5.235 4.660 0.000 0.000 0.317 403 W C -1.907 174.703 176.519 0.150 0.000 1.030 403 W CA -0.666 56.718 57.345 0.065 0.000 1.239 403 W CB 1.489 30.883 29.460 -0.110 0.000 1.304 403 W HN 1.024 nan 8.180 nan 0.000 0.437 404 H N 2.004 120.914 119.070 -0.267 0.000 2.977 404 H HA 0.386 4.942 4.556 -0.000 0.000 0.350 404 H C 0.512 175.717 175.328 -0.205 0.000 1.238 404 H CA -0.935 54.821 56.048 -0.488 0.000 1.124 404 H CB 1.188 30.174 29.762 -1.292 0.000 1.866 404 H HN 0.269 nan 8.280 nan 0.000 0.550 405 L N 0.434 121.691 121.223 0.056 0.000 2.089 405 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 405 L C 2.409 178.940 176.870 -0.565 0.000 1.079 405 L CA 1.881 56.744 54.840 0.038 0.000 0.758 405 L CB -0.590 41.618 42.059 0.248 0.000 0.891 405 L HN 1.026 nan 8.230 nan 0.000 0.433 406 G N -1.414 106.961 108.800 -0.707 0.000 2.679 406 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.212 406 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.212 406 G C 1.366 175.937 174.900 -0.548 0.000 1.137 406 G CA 0.068 44.533 45.100 -1.058 0.000 0.787 406 G HN 0.453 nan 8.290 nan 0.000 0.534 407 Q N -0.417 119.084 119.800 -0.498 0.000 2.356 407 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 407 Q C 0.229 176.236 176.000 0.010 0.000 0.901 407 Q CA -0.412 55.255 55.803 -0.226 0.000 0.938 407 Q CB 0.522 29.113 28.738 -0.245 0.000 1.081 407 Q HN 0.286 nan 8.270 nan 0.000 0.517 408 D N 1.633 122.077 120.400 0.073 0.000 2.360 408 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 408 D C -0.096 176.245 176.300 0.068 0.000 1.184 408 D CA -0.161 53.874 54.000 0.059 0.000 0.930 408 D CB 0.678 41.554 40.800 0.127 0.000 1.161 408 D HN 0.083 nan 8.370 nan 0.000 0.447 409 N N 0.000 118.768 118.700 0.114 0.000 2.294 409 N HA -0.003 4.737 4.740 -0.000 0.000 0.248 409 N C 0.889 176.453 175.510 0.090 0.000 1.300 409 N CA -0.320 52.780 53.050 0.084 0.000 0.925 409 N CB 0.093 38.630 38.487 0.085 0.000 1.188 409 N HN 0.134 nan 8.380 nan 0.000 0.512 410 R N -0.829 119.718 120.500 0.079 0.000 2.120 410 R HA 0.016 4.356 4.340 -0.000 0.000 0.234 410 R C 1.181 177.538 176.300 0.094 0.000 1.123 410 R CA 1.210 57.371 56.100 0.102 0.000 0.975 410 R CB -1.453 28.890 30.300 0.072 0.000 0.866 410 R HN 0.631 nan 8.270 nan 0.000 0.446 411 N N -0.387 118.353 118.700 0.067 0.000 2.461 411 N HA 0.055 4.795 4.740 -0.000 0.000 0.188 411 N C 1.003 176.545 175.510 0.053 0.000 1.134 411 N CA 0.930 54.010 53.050 0.051 0.000 0.878 411 N CB 0.459 38.964 38.487 0.030 0.000 0.972 411 N HN 0.538 nan 8.380 nan 0.000 0.456 412 G N 1.608 110.450 108.800 0.071 0.000 2.295 412 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.287 412 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.287 412 G C 0.461 175.353 174.900 -0.013 0.000 1.055 412 G CA 0.404 45.543 45.100 0.065 0.000 0.922 412 G HN 0.222 nan 8.290 nan 0.000 0.503 413 D N -0.236 120.135 120.400 -0.048 0.000 2.144 413 D HA -0.056 4.584 4.640 -0.000 0.000 0.199 413 D C 2.725 178.890 176.300 -0.224 0.000 0.984 413 D CA 0.968 54.903 54.000 -0.109 0.000 0.834 413 D CB 0.011 40.770 40.800 -0.069 0.000 0.955 413 D HN 0.558 nan 8.370 nan 0.000 0.465 414 L N 0.115 121.114 121.223 -0.374 0.000 2.056 414 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 414 L C 2.415 179.139 176.870 -0.243 0.000 1.078 414 L CA 0.461 55.002 54.840 -0.498 0.000 0.749 414 L CB -0.369 40.958 42.059 -1.220 0.000 0.901 414 L HN 0.082 nan 8.230 nan 0.000 0.433 415 L N 0.463 121.602 121.223 -0.140 0.000 2.046 415 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 415 L C 2.615 179.444 176.870 -0.068 0.000 1.077 415 L CA 1.978 56.805 54.840 -0.021 0.000 0.747 415 L CB -0.709 41.417 42.059 0.112 0.000 0.896 415 L HN 0.121 nan 8.230 nan 0.000 0.432 416 A N -0.338 122.425 122.820 -0.095 0.000 1.933 416 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 416 A C 2.462 179.874 177.584 -0.287 0.000 1.175 416 A CA 1.807 53.764 52.037 -0.133 0.000 0.628 416 A CB -1.161 17.777 19.000 -0.103 0.000 0.814 416 A HN 0.609 nan 8.150 nan 0.000 0.444 417 A N -0.152 122.445 122.820 -0.371 0.000 1.877 417 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 417 A C 2.171 179.131 177.584 -1.041 0.000 1.186 417 A CA 1.489 53.079 52.037 -0.744 0.000 0.620 417 A CB -0.650 18.061 19.000 -0.481 0.000 0.822 417 A HN 0.468 nan 8.150 nan 0.000 0.443 418 L N -0.522 120.379 121.223 -0.536 0.000 2.012 418 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 418 L C 2.452 179.053 176.870 -0.449 0.000 1.073 418 L CA 1.936 56.480 54.840 -0.494 0.000 0.748 418 L CB -0.643 41.285 42.059 -0.219 0.000 0.891 418 L HN 0.525 nan 8.230 nan 0.000 0.431 419 D N -0.042 120.226 120.400 -0.220 0.000 2.117 419 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 419 D C 2.308 178.519 176.300 -0.148 0.000 0.987 419 D CA 1.217 55.181 54.000 -0.059 0.000 0.829 419 D CB 0.038 40.831 40.800 -0.012 0.000 0.961 419 D HN 0.080 nan 8.370 nan 0.000 0.460 420 R N -1.136 119.150 120.500 -0.357 0.000 2.073 420 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 420 R C 1.910 178.004 176.300 -0.343 0.000 1.134 420 R CA 1.390 57.275 56.100 -0.358 0.000 0.952 420 R CB -0.462 29.529 30.300 -0.514 0.000 0.850 420 R HN 0.270 nan 8.270 nan 0.000 0.433 421 Y N -0.524 119.439 120.300 -0.561 0.000 2.403 421 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 421 Y C 1.777 177.570 175.900 -0.178 0.000 1.143 421 Y CA 0.583 58.307 58.100 -0.626 0.000 1.257 421 Y CB -0.353 37.702 38.460 -0.674 0.000 0.984 421 Y HN 0.074 nan 8.280 nan 0.000 0.550 422 F N -0.835 119.180 119.950 0.109 0.000 2.505 422 F HA 0.086 4.613 4.527 -0.000 0.000 0.289 422 F C 1.624 177.486 175.800 0.104 0.000 1.101 422 F CA 0.480 58.550 58.000 0.116 0.000 1.446 422 F CB -0.268 38.780 39.000 0.080 0.000 1.123 422 F HN 0.018 nan 8.300 nan 0.000 0.564 423 N N -0.418 118.434 118.700 0.252 0.000 2.193 423 N HA 0.229 4.969 4.740 -0.000 0.000 0.210 423 N C 0.400 175.991 175.510 0.134 0.000 1.215 423 N CA 0.262 53.418 53.050 0.176 0.000 0.901 423 N CB 0.532 39.106 38.487 0.145 0.000 1.060 423 N HN -0.008 nan 8.380 nan 0.000 0.508 424 A N 0.959 123.856 122.820 0.127 0.000 2.454 424 A HA 0.539 4.859 4.320 -0.000 0.000 0.260 424 A C 1.371 179.048 177.584 0.155 0.000 1.106 424 A CA 0.059 52.170 52.037 0.123 0.000 0.780 424 A CB 0.412 19.478 19.000 0.110 0.000 1.044 424 A HN 0.237 nan 8.150 nan 0.000 0.498 425 A N 2.301 125.187 122.820 0.111 0.000 2.067 425 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 425 A C 1.152 178.792 177.584 0.094 0.000 1.158 425 A CA 1.685 53.779 52.037 0.095 0.000 0.661 425 A CB -0.296 18.745 19.000 0.069 0.000 0.801 425 A HN 0.838 nan 8.150 nan 0.000 0.452 426 D N -2.832 117.633 120.400 0.109 0.000 2.388 426 D HA 0.133 4.773 4.640 -0.000 0.000 0.221 426 D C -0.093 176.291 176.300 0.139 0.000 1.133 426 D CA -0.407 53.651 54.000 0.096 0.000 0.831 426 D CB -0.552 40.293 40.800 0.075 0.000 0.962 426 D HN 0.399 nan 8.370 nan 0.000 0.502 427 Y N 1.257 121.588 120.300 0.052 0.000 2.341 427 Y HA 0.462 5.012 4.550 -0.000 0.000 0.337 427 Y C -1.271 174.657 175.900 0.048 0.000 1.014 427 Y CA -1.317 56.821 58.100 0.063 0.000 1.111 427 Y CB 1.453 39.979 38.460 0.111 0.000 1.194 427 Y HN -0.201 nan 8.280 nan 0.000 0.462 428 D N 4.768 124.780 120.400 -0.646 0.000 2.542 428 D HA 0.158 4.798 4.640 -0.000 0.000 0.252 428 D C -0.953 174.954 176.300 -0.655 0.000 1.222 428 D CA -0.523 53.200 54.000 -0.461 0.000 0.895 428 D CB 1.013 41.678 40.800 -0.225 0.000 1.207 428 D HN 0.742 nan 8.370 nan 0.000 0.558 429 D N 1.308 121.397 120.400 -0.518 0.000 2.463 429 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 429 D C 0.816 177.023 176.300 -0.156 0.000 1.174 429 D CA -0.258 53.526 54.000 -0.361 0.000 0.829 429 D CB 0.314 40.985 40.800 -0.215 0.000 0.993 429 D HN 0.080 nan 8.370 nan 0.000 0.497 430 S N 0.497 116.122 115.700 -0.127 0.000 2.383 430 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 430 S C 1.608 176.182 174.600 -0.043 0.000 1.030 430 S CA 1.117 59.282 58.200 -0.058 0.000 1.002 430 S CB -0.172 62.999 63.200 -0.048 0.000 0.829 430 S HN 0.438 nan 8.310 nan 0.000 0.467 431 Q N 0.089 119.850 119.800 -0.066 0.000 2.360 431 Q HA 0.245 4.585 4.340 -0.000 0.000 0.202 431 Q C -0.225 175.758 176.000 -0.027 0.000 0.915 431 Q CA -0.273 55.507 55.803 -0.038 0.000 0.943 431 Q CB -0.012 28.700 28.738 -0.043 0.000 1.064 431 Q HN 0.323 nan 8.270 nan 0.000 0.511 432 L N 2.642 123.834 121.223 -0.053 0.000 2.562 432 L HA 0.007 4.347 4.340 -0.000 0.000 0.271 432 L C -0.349 176.569 176.870 0.080 0.000 1.167 432 L CA 0.413 55.228 54.840 -0.041 0.000 0.917 432 L CB 0.321 42.289 42.059 -0.152 0.000 1.187 432 L HN -0.038 nan 8.230 nan 0.000 0.482 433 D N 4.762 125.257 120.400 0.158 0.000 2.325 433 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 433 D C 0.924 177.432 176.300 0.347 0.000 1.196 433 D CA -0.227 53.893 54.000 0.200 0.000 0.866 433 D CB 0.815 41.709 40.800 0.158 0.000 1.101 433 D HN 0.498 nan 8.370 nan 0.000 0.476 434 M N 2.898 122.675 119.600 0.294 0.000 2.686 434 M HA 0.188 4.668 4.480 -0.000 0.000 0.246 434 M C 1.205 177.628 176.300 0.206 0.000 1.096 434 M CA 0.616 56.144 55.300 0.379 0.000 1.076 434 M CB -1.490 31.319 32.600 0.350 0.000 1.504 434 M HN 0.677 nan 8.290 nan 0.000 0.524 435 G N 0.754 109.626 108.800 0.120 0.000 2.782 435 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.228 435 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.228 435 G C 0.283 175.148 174.900 -0.058 0.000 1.372 435 G CA 0.140 45.263 45.100 0.039 0.000 0.862 435 G HN 0.417 nan 8.290 nan 0.000 0.547 436 T N -1.595 112.927 114.554 -0.052 0.000 3.129 436 T HA 0.586 4.936 4.350 -0.000 0.000 0.267 436 T C 1.351 175.996 174.700 -0.092 0.000 1.018 436 T CA 1.110 63.163 62.100 -0.078 0.000 0.903 436 T CB 0.395 69.243 68.868 -0.033 0.000 1.067 436 T HN 2.008 nan 8.240 nan 0.000 0.549 437 G N 1.755 110.499 108.800 -0.094 0.000 2.630 437 G HA2 0.428 4.388 3.960 -0.000 0.000 0.236 437 G HA3 0.428 4.388 3.960 -0.000 0.000 0.236 437 G C -0.011 174.850 174.900 -0.064 0.000 1.248 437 G CA -0.720 44.366 45.100 -0.024 0.000 0.844 437 G HN 0.593 nan 8.290 nan 0.000 0.588 438 L N 1.019 122.261 121.223 0.032 0.000 2.462 438 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 438 L C 0.819 177.772 176.870 0.138 0.000 1.166 438 L CA -0.342 54.528 54.840 0.050 0.000 0.880 438 L CB 0.273 42.373 42.059 0.068 0.000 1.142 438 L HN 0.384 nan 8.230 nan 0.000 0.473 439 R N 1.897 122.449 120.500 0.086 0.000 2.536 439 R HA 0.286 4.626 4.340 -0.000 0.000 0.279 439 R C -0.838 175.607 176.300 0.241 0.000 1.001 439 R CA -0.604 55.621 56.100 0.209 0.000 1.027 439 R CB 0.642 31.001 30.300 0.098 0.000 1.096 439 R HN 0.311 nan 8.270 nan 0.000 0.502 440 Y N 0.920 121.345 120.300 0.209 0.000 2.436 440 Y HA 0.101 4.651 4.550 -0.000 0.000 0.343 440 Y C 0.779 176.744 175.900 0.108 0.000 1.008 440 Y CA 0.192 58.392 58.100 0.165 0.000 1.241 440 Y CB 0.862 39.434 38.460 0.186 0.000 1.153 440 Y HN 0.717 nan 8.280 nan 0.000 0.521 441 T N 1.647 116.033 114.554 -0.280 0.000 3.186 441 T HA 0.321 4.671 4.350 -0.000 0.000 0.257 441 T C 0.804 175.355 174.700 -0.249 0.000 1.029 441 T CA -0.038 61.955 62.100 -0.179 0.000 0.916 441 T CB -0.439 68.348 68.868 -0.135 0.000 1.041 441 T HN 0.772 nan 8.240 nan 0.000 0.562 442 G N 0.912 109.451 108.800 -0.435 0.000 2.554 442 G HA2 0.473 4.433 3.960 -0.000 0.000 0.238 442 G HA3 0.473 4.433 3.960 -0.000 0.000 0.238 442 G C -0.762 174.093 174.900 -0.076 0.000 1.259 442 G CA -0.288 44.658 45.100 -0.256 0.000 0.843 442 G HN 0.404 nan 8.290 nan 0.000 0.582 443 V N 1.282 121.117 119.914 -0.132 0.000 2.531 443 V HA 0.808 4.928 4.120 -0.000 0.000 0.301 443 V C 0.714 176.712 176.094 -0.161 0.000 1.034 443 V CA 0.053 62.289 62.300 -0.105 0.000 0.865 443 V CB 1.417 33.171 31.823 -0.115 0.000 0.995 443 V HN 1.136 nan 8.190 nan 0.000 0.424 444 G N 3.878 112.609 108.800 -0.115 0.000 3.015 444 G HA2 0.627 4.587 3.960 -0.000 0.000 0.281 444 G HA3 0.627 4.587 3.960 -0.000 0.000 0.281 444 G C -2.475 172.313 174.900 -0.186 0.000 1.386 444 G CA -1.299 43.701 45.100 -0.166 0.000 0.959 444 G HN 0.468 nan 8.290 nan 0.000 0.522 445 P HA 0.013 nan 4.420 nan 0.000 0.219 445 P C 1.666 178.924 177.300 -0.071 0.000 1.146 445 P CA 1.523 64.499 63.100 -0.205 0.000 0.808 445 P CB 0.235 31.804 31.700 -0.219 0.000 0.779 446 G N -0.515 108.279 108.800 -0.011 0.000 2.880 446 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.209 446 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.209 446 G C 0.700 175.614 174.900 0.024 0.000 1.157 446 G CA 0.072 45.186 45.100 0.024 0.000 0.779 446 G HN 0.348 nan 8.290 nan 0.000 0.539 447 N N 0.015 118.719 118.700 0.007 0.000 2.547 447 N HA 0.145 4.885 4.740 -0.000 0.000 0.285 447 N C -0.309 175.191 175.510 -0.016 0.000 1.600 447 N CA -0.391 52.666 53.050 0.012 0.000 0.872 447 N CB -0.498 38.014 38.487 0.043 0.000 1.412 447 N HN 0.058 nan 8.380 nan 0.000 0.489 448 L N 1.620 122.821 121.223 -0.037 0.000 2.453 448 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 448 L C -1.609 175.238 176.870 -0.040 0.000 1.182 448 L CA -1.188 53.619 54.840 -0.057 0.000 0.858 448 L CB 0.470 42.489 42.059 -0.067 0.000 1.120 448 L HN 0.064 nan 8.230 nan 0.000 0.474 449 P HA 0.167 nan 4.420 nan 0.000 0.274 449 P C -0.449 176.828 177.300 -0.038 0.000 1.231 449 P CA -0.338 62.743 63.100 -0.032 0.000 0.790 449 P CB 0.991 32.674 31.700 -0.029 0.000 0.951 450 I N 2.310 122.860 120.570 -0.033 0.000 2.634 450 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 450 I C 0.951 177.049 176.117 -0.031 0.000 1.124 450 I CA 0.423 61.700 61.300 -0.039 0.000 1.417 450 I CB 0.030 38.010 38.000 -0.035 0.000 1.396 450 I HN 0.248 nan 8.210 nan 0.000 0.571 451 M N 4.157 123.737 119.600 -0.034 0.000 2.755 451 M HA 0.447 4.927 4.480 -0.000 0.000 0.273 451 M C -0.900 175.391 176.300 -0.014 0.000 1.278 451 M CA -0.700 54.588 55.300 -0.019 0.000 0.819 451 M CB 2.727 35.317 32.600 -0.017 0.000 1.694 451 M HN 0.564 nan 8.290 nan 0.000 0.460 452 T N -0.907 113.649 114.554 0.002 0.000 2.906 452 T HA 0.978 5.328 4.350 -0.000 0.000 0.295 452 T C -1.106 173.612 174.700 0.031 0.000 1.061 452 T CA -0.819 61.288 62.100 0.012 0.000 1.000 452 T CB 2.211 71.085 68.868 0.010 0.000 1.103 452 T HN 1.024 nan 8.240 nan 0.000 0.486 453 A N 2.267 125.114 122.820 0.045 0.000 2.599 453 A HA 0.835 5.155 4.320 -0.000 0.000 0.294 453 A C -3.128 174.500 177.584 0.075 0.000 1.055 453 A CA -1.486 50.592 52.037 0.067 0.000 0.683 453 A CB 0.715 19.768 19.000 0.088 0.000 1.278 453 A HN 0.741 nan 8.150 nan 0.000 0.412 454 P HA 0.405 nan 4.420 nan 0.000 0.269 454 P C 0.215 177.575 177.300 0.101 0.000 1.209 454 P CA 0.341 63.492 63.100 0.085 0.000 0.776 454 P CB 0.808 32.563 31.700 0.092 0.000 0.876 455 A N 3.428 126.303 122.820 0.092 0.000 2.531 455 A HA 0.020 4.340 4.320 -0.000 0.000 0.236 455 A C 0.018 177.674 177.584 0.119 0.000 1.062 455 A CA -0.137 51.971 52.037 0.117 0.000 0.760 455 A CB -0.612 18.447 19.000 0.099 0.000 0.995 455 A HN 0.604 nan 8.150 nan 0.000 0.501 456 Y N 2.402 122.700 120.300 -0.004 0.000 2.597 456 Y HA 0.357 4.907 4.550 -0.000 0.000 0.336 456 Y C -0.210 175.686 175.900 -0.006 0.000 1.216 456 Y CA 0.340 58.367 58.100 -0.122 0.000 1.463 456 Y CB 0.547 38.703 38.460 -0.507 0.000 1.303 456 Y HN 0.381 nan 8.280 nan 0.000 0.576 457 V N 8.924 128.367 119.914 -0.785 0.000 2.376 457 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 457 V C -2.251 173.368 176.094 -0.792 0.000 1.015 457 V CA -2.138 59.825 62.300 -0.562 0.000 0.834 457 V CB 1.340 33.022 31.823 -0.235 0.000 1.001 457 V HN 0.744 nan 8.190 nan 0.000 0.428 458 P HA 0.240 nan 4.420 nan 0.000 0.265 458 P C 1.028 178.246 177.300 -0.137 0.000 1.193 458 P CA 1.394 64.363 63.100 -0.218 0.000 0.765 458 P CB 0.687 32.374 31.700 -0.021 0.000 0.823 459 G N 1.495 110.265 108.800 -0.050 0.000 2.234 459 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 459 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 459 G C 0.302 175.163 174.900 -0.066 0.000 0.997 459 G CA 0.021 45.099 45.100 -0.035 0.000 0.623 459 G HN 0.598 nan 8.290 nan 0.000 0.514 460 T N 2.013 116.485 114.554 -0.135 0.000 2.910 460 T HA 0.550 4.900 4.350 -0.000 0.000 0.293 460 T C 0.206 174.784 174.700 -0.203 0.000 1.015 460 T CA 0.630 62.576 62.100 -0.257 0.000 1.094 460 T CB 1.605 70.180 68.868 -0.488 0.000 0.968 460 T HN 0.209 nan 8.240 nan 0.000 0.521 461 T N 3.133 117.535 114.554 -0.252 0.000 2.771 461 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 461 T C -0.939 173.619 174.700 -0.236 0.000 0.982 461 T CA -0.358 61.690 62.100 -0.086 0.000 0.978 461 T CB 0.173 69.051 68.868 0.016 0.000 0.930 461 T HN 0.393 nan 8.240 nan 0.000 0.447 462 Y N 1.260 121.582 120.300 0.035 0.000 2.409 462 Y HA 0.621 5.171 4.550 -0.000 0.000 0.339 462 Y C 0.643 176.442 175.900 -0.167 0.000 1.033 462 Y CA -1.096 56.985 58.100 -0.031 0.000 1.094 462 Y CB 1.130 39.608 38.460 0.030 0.000 1.210 462 Y HN 0.789 nan 8.280 nan 0.000 0.456 463 A N 2.220 125.027 122.820 -0.021 0.000 2.280 463 A HA 0.233 4.553 4.320 -0.000 0.000 0.268 463 A C -0.117 177.375 177.584 -0.153 0.000 1.111 463 A CA -0.687 51.254 52.037 -0.160 0.000 0.814 463 A CB 0.265 19.185 19.000 -0.133 0.000 1.093 463 A HN 0.792 nan 8.150 nan 0.000 0.498 464 Q N -0.633 119.070 119.800 -0.163 0.000 2.311 464 Q HA 0.379 4.719 4.340 -0.000 0.000 0.272 464 Q C 1.010 176.953 176.000 -0.095 0.000 1.012 464 Q CA 1.073 56.795 55.803 -0.135 0.000 0.891 464 Q CB 0.203 28.900 28.738 -0.068 0.000 1.201 464 Q HN 1.731 nan 8.270 nan 0.000 0.391 465 G N 2.220 110.956 108.800 -0.108 0.000 2.176 465 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 465 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 465 G C 0.178 175.074 174.900 -0.006 0.000 0.979 465 G CA -0.002 45.070 45.100 -0.047 0.000 0.641 465 G HN 0.985 nan 8.290 nan 0.000 0.530 466 A N -0.142 122.673 122.820 -0.008 0.000 2.445 466 A HA 0.677 4.997 4.320 -0.000 0.000 0.242 466 A C 0.345 178.028 177.584 0.166 0.000 1.075 466 A CA 0.442 52.541 52.037 0.105 0.000 0.777 466 A CB 0.342 19.475 19.000 0.223 0.000 1.013 466 A HN 0.977 nan 8.150 nan 0.000 0.493 467 L N 1.975 123.313 121.223 0.192 0.000 2.346 467 L HA 0.697 5.037 4.340 -0.000 0.000 0.276 467 L C -0.293 176.688 176.870 0.185 0.000 1.006 467 L CA -0.771 54.191 54.840 0.204 0.000 0.817 467 L CB 1.914 44.052 42.059 0.132 0.000 1.272 467 L HN 0.704 nan 8.230 nan 0.000 0.421 468 V N -0.656 119.354 119.914 0.159 0.000 3.114 468 V HA 0.803 4.923 4.120 -0.000 0.000 0.308 468 V C -0.412 175.770 176.094 0.145 0.000 1.168 468 V CA -0.699 61.645 62.300 0.073 0.000 1.015 468 V CB 1.992 33.719 31.823 -0.161 0.000 1.050 468 V HN 0.751 nan 8.190 nan 0.000 0.433 469 S N 1.897 117.691 115.700 0.157 0.000 2.509 469 S HA 0.881 5.351 4.470 -0.000 0.000 0.297 469 S C -1.106 173.673 174.600 0.299 0.000 1.118 469 S CA -0.553 57.778 58.200 0.219 0.000 1.074 469 S CB 1.424 64.701 63.200 0.128 0.000 1.038 469 S HN 1.679 nan 8.310 nan 0.000 0.498 470 Y N 0.938 121.358 120.300 0.201 0.000 2.474 470 Y HA 0.260 4.810 4.550 -0.000 0.000 0.326 470 Y C -0.329 175.732 175.900 0.269 0.000 1.160 470 Y CA -0.625 57.529 58.100 0.090 0.000 1.056 470 Y CB 1.188 39.469 38.460 -0.298 0.000 1.330 470 Y HN 0.961 nan 8.280 nan 0.000 0.447 471 Q N 3.819 123.438 119.800 -0.301 0.000 2.461 471 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 471 Q C 1.057 177.087 176.000 0.050 0.000 1.163 471 Q CA 1.513 57.228 55.803 -0.147 0.000 0.929 471 Q CB -1.543 27.135 28.738 -0.100 0.000 1.334 471 Q HN 1.593 nan 8.270 nan 0.000 0.499 472 G N -2.125 106.647 108.800 -0.047 0.000 2.179 472 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 472 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 472 G C -0.288 174.330 174.900 -0.471 0.000 0.977 472 G CA 0.557 45.500 45.100 -0.262 0.000 0.641 472 G HN 0.387 nan 8.290 nan 0.000 0.533 473 Y N -1.234 119.064 120.300 -0.003 0.000 2.598 473 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 473 Y C 0.415 176.214 175.900 -0.169 0.000 1.038 473 Y CA -1.196 56.778 58.100 -0.210 0.000 1.100 473 Y CB 2.076 40.203 38.460 -0.557 0.000 1.281 473 Y HN 0.068 nan 8.280 nan 0.000 0.488 474 V N 1.446 121.293 119.914 -0.111 0.000 2.427 474 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 474 V C -1.161 174.840 176.094 -0.156 0.000 1.034 474 V CA -0.848 61.446 62.300 -0.011 0.000 0.893 474 V CB 0.603 32.425 31.823 -0.002 0.000 0.982 474 V HN 0.654 nan 8.190 nan 0.000 0.452 475 W N 2.570 123.876 121.300 0.011 0.000 2.781 475 W HA 0.747 5.407 4.660 -0.000 0.000 0.345 475 W C -0.170 176.474 176.519 0.208 0.000 1.085 475 W CA -0.628 56.755 57.345 0.063 0.000 1.198 475 W CB 1.374 30.800 29.460 -0.057 0.000 1.423 475 W HN 0.449 nan 8.180 nan 0.000 0.532 476 Q N 0.951 121.027 119.800 0.459 0.000 2.372 476 Q HA 0.514 4.854 4.340 -0.000 0.000 0.273 476 Q C -0.401 175.632 176.000 0.055 0.000 1.078 476 Q CA -0.631 55.329 55.803 0.261 0.000 0.806 476 Q CB 2.106 30.906 28.738 0.103 0.000 1.332 476 Q HN 0.545 nan 8.270 nan 0.000 0.435 477 T N 0.363 114.743 114.554 -0.290 0.000 2.897 477 T HA 0.302 4.652 4.350 -0.000 0.000 0.294 477 T C 0.472 174.923 174.700 -0.415 0.000 1.004 477 T CA -0.476 61.218 62.100 -0.677 0.000 1.106 477 T CB 1.141 69.467 68.868 -0.902 0.000 0.949 477 T HN 0.706 nan 8.240 nan 0.000 0.520 478 K N 1.340 121.420 120.400 -0.534 0.000 2.361 478 K HA 0.206 4.526 4.320 -0.000 0.000 0.196 478 K C -0.029 176.570 176.600 -0.001 0.000 1.039 478 K CA 0.175 56.318 56.287 -0.240 0.000 1.001 478 K CB 0.189 32.564 32.500 -0.208 0.000 0.795 478 K HN 0.851 nan 8.250 nan 0.000 0.495 479 W N -1.350 119.865 121.300 -0.142 0.000 2.962 479 W HA 0.614 5.274 4.660 0.000 0.000 0.405 479 W C -0.432 175.991 176.519 -0.160 0.000 1.121 479 W CA -1.379 55.897 57.345 -0.116 0.000 1.164 479 W CB -0.082 29.335 29.460 -0.072 0.000 1.489 479 W HN -0.189 nan 8.180 nan 0.000 0.599 480 G N -1.183 107.722 108.800 0.176 0.000 2.521 480 G HA2 0.510 4.470 3.960 -0.000 0.000 0.323 480 G HA3 0.510 4.470 3.960 -0.000 0.000 0.323 480 G C -1.414 173.520 174.900 0.057 0.000 1.211 480 G CA -0.801 44.246 45.100 -0.088 0.000 0.979 480 G HN 0.996 nan 8.290 nan 0.000 0.490 481 Y N -2.257 118.077 120.300 0.057 0.000 3.477 481 Y HA -0.154 4.396 4.550 -0.000 0.000 0.216 481 Y C 0.535 176.474 175.900 0.066 0.000 1.296 481 Y CA -0.568 57.569 58.100 0.061 0.000 1.535 481 Y CB -2.071 36.432 38.460 0.072 0.000 1.482 481 Y HN 0.263 nan 8.280 nan 0.000 0.597 482 I N 1.035 121.653 120.570 0.080 0.000 2.436 482 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 482 I C 1.437 177.681 176.117 0.211 0.000 1.083 482 I CA 0.664 61.986 61.300 0.036 0.000 1.372 482 I CB 0.746 38.559 38.000 -0.311 0.000 1.408 482 I HN 0.425 nan 8.210 nan 0.000 0.516 483 T N 0.627 115.303 114.554 0.203 0.000 3.085 483 T HA 0.212 4.562 4.350 -0.000 0.000 0.264 483 T C 0.676 175.521 174.700 0.241 0.000 1.019 483 T CA -0.276 61.956 62.100 0.220 0.000 0.910 483 T CB 0.383 69.341 68.868 0.151 0.000 1.059 483 T HN 0.431 nan 8.240 nan 0.000 0.542 484 S N 0.088 115.943 115.700 0.259 0.000 2.745 484 S HA 0.829 5.299 4.470 -0.000 0.000 0.306 484 S C -0.682 173.989 174.600 0.118 0.000 1.137 484 S CA -0.478 57.838 58.200 0.193 0.000 0.900 484 S CB 1.324 64.581 63.200 0.095 0.000 1.176 484 S HN 0.638 nan 8.310 nan 0.000 0.520 485 A N 1.851 124.510 122.820 -0.268 0.000 2.302 485 A HA 0.707 5.027 4.320 -0.000 0.000 0.285 485 A C -2.734 174.192 177.584 -1.097 0.000 1.105 485 A CA -1.591 49.785 52.037 -1.101 0.000 0.816 485 A CB -0.416 17.889 19.000 -1.157 0.000 1.067 485 A HN 0.552 nan 8.150 nan 0.000 0.489 486 P HA 0.258 nan 4.420 nan 0.000 0.265 486 P C 0.980 177.610 177.300 -1.117 0.000 1.193 486 P CA 2.026 64.006 63.100 -1.867 0.000 0.765 486 P CB 0.695 30.683 31.700 -2.854 0.000 0.823 487 G N 1.947 110.303 108.800 -0.741 0.000 2.217 487 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 487 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 487 G C 0.983 175.794 174.900 -0.148 0.000 0.990 487 G CA 0.526 45.443 45.100 -0.305 0.000 0.627 487 G HN 0.494 nan 8.290 nan 0.000 0.522 488 S N -0.780 114.815 115.700 -0.174 0.000 2.663 488 S HA 0.257 4.727 4.470 -0.000 0.000 0.247 488 S C -0.056 174.533 174.600 -0.020 0.000 1.074 488 S CA 0.389 58.545 58.200 -0.074 0.000 0.955 488 S CB 0.888 64.038 63.200 -0.083 0.000 0.901 488 S HN 0.506 nan 8.310 nan 0.000 0.505 489 D N 1.294 121.687 120.400 -0.012 0.000 2.381 489 D HA 0.379 5.019 4.640 -0.000 0.000 0.235 489 D C 0.192 176.536 176.300 0.074 0.000 1.068 489 D CA -0.126 53.915 54.000 0.069 0.000 0.832 489 D CB 1.724 42.597 40.800 0.121 0.000 1.101 489 D HN -0.079 nan 8.370 nan 0.000 0.515 490 S N 2.138 117.888 115.700 0.085 0.000 2.537 490 S HA -0.100 4.370 4.470 -0.000 0.000 0.240 490 S C 1.709 176.257 174.600 -0.087 0.000 0.981 490 S CA 0.741 58.996 58.200 0.091 0.000 0.948 490 S CB 0.106 63.424 63.200 0.197 0.000 0.759 490 S HN 0.626 nan 8.310 nan 0.000 0.531 491 A N 0.005 122.607 122.820 -0.364 0.000 2.168 491 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 491 A C 0.239 177.326 177.584 -0.829 0.000 1.152 491 A CA 0.096 51.441 52.037 -1.155 0.000 0.716 491 A CB -0.234 17.909 19.000 -1.428 0.000 0.794 491 A HN 0.557 nan 8.150 nan 0.000 0.465 492 W N -0.928 120.171 121.300 -0.334 0.000 2.417 492 W HA 0.563 5.223 4.660 -0.000 0.000 0.317 492 W C -0.385 176.161 176.519 0.045 0.000 1.121 492 W CA -0.770 56.474 57.345 -0.167 0.000 1.208 492 W CB 1.044 30.363 29.460 -0.236 0.000 1.253 492 W HN 0.080 nan 8.180 nan 0.000 0.533 493 L N 4.151 125.574 121.223 0.334 0.000 2.313 493 L HA 0.427 4.767 4.340 -0.000 0.000 0.283 493 L C -0.090 176.875 176.870 0.158 0.000 1.013 493 L CA -1.087 53.872 54.840 0.200 0.000 0.816 493 L CB 1.113 43.206 42.059 0.057 0.000 1.236 493 L HN 0.323 nan 8.230 nan 0.000 0.419 494 K N 3.839 124.153 120.400 -0.143 0.000 2.349 494 K HA 0.288 4.608 4.320 -0.000 0.000 0.289 494 K C 0.453 176.841 176.600 -0.354 0.000 1.064 494 K CA 0.207 56.109 56.287 -0.642 0.000 0.947 494 K CB 0.619 32.472 32.500 -1.079 0.000 1.007 494 K HN 0.679 nan 8.250 nan 0.000 0.478 495 V N 0.713 120.476 119.914 -0.252 0.000 3.556 495 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 495 V C 0.444 176.459 176.094 -0.132 0.000 1.422 495 V CA 0.320 62.528 62.300 -0.152 0.000 1.038 495 V CB 0.475 32.257 31.823 -0.068 0.000 0.850 495 V HN 0.682 nan 8.190 nan 0.000 0.437 496 G N 0.047 108.756 108.800 -0.151 0.000 2.682 496 G HA2 0.660 4.620 3.960 -0.000 0.000 0.290 496 G HA3 0.660 4.620 3.960 -0.000 0.000 0.290 496 G C -1.720 173.133 174.900 -0.078 0.000 1.425 496 G CA -1.082 43.961 45.100 -0.095 0.000 0.807 496 G HN 0.308 nan 8.290 nan 0.000 0.482 497 R N -0.052 120.403 120.500 -0.074 0.000 2.599 497 R HA 0.615 4.955 4.340 -0.000 0.000 0.295 497 R C -0.865 175.353 176.300 -0.136 0.000 0.963 497 R CA -0.531 55.492 56.100 -0.127 0.000 0.883 497 R CB 2.042 32.277 30.300 -0.107 0.000 1.171 497 R HN 0.342 nan 8.270 nan 0.000 0.450 498 V N 3.845 123.644 119.914 -0.191 0.000 2.508 498 V HA 0.664 4.784 4.120 -0.000 0.000 0.281 498 V C 0.243 176.265 176.094 -0.119 0.000 1.041 498 V CA 0.532 62.755 62.300 -0.128 0.000 1.016 498 V CB 0.664 32.413 31.823 -0.123 0.000 0.984 498 V HN 1.020 nan 8.190 nan 0.000 0.478 499 A N 0.000 122.773 122.820 -0.079 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486