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 3otp_1_C DATA FIRST_RESID 11 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XQKFMALGSG VIIDADKGYV VTNNHVVDNA DATA SEQUENCE TVIKVQLSDG RKFDAKMVGK DPRSDIALIQ IQNPKNLTAI KMADSDALRV DATA SEQUENCE GDYTVAIGNP FGLGETVTSG IVSALGRSGL NAENYENFIQ TDAAINRGNA DATA SEQUENCE GGALVNLNGE LIGINTAILA PDGGNIGIGF AIPSNMVKNL TSQMVEYGQV DATA SEQUENCE KRGELGIMGT ELNSELAKAM KVDAQRGAFV SQVLPNSSAA KAGIKAGDVI DATA SEQUENCE TSLNGKPISS FAALRAQVGT MPVGSKLTLG LLRDGKQVNV NLELQQSXXX DATA SEQUENCE XXXXXXXFNG IEGAEMSNKG KDQGVVVNNV KTGTPAAQIG LKKGDVIIGA DATA SEQUENCE NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLLMQ 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.994 176.000 -0.010 0.000 1.003 11 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 11 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 12 M N 3.978 123.571 119.600 -0.011 0.000 2.423 12 M HA 0.648 5.128 4.480 -0.000 0.000 0.335 12 M C -1.903 174.385 176.300 -0.019 0.000 1.177 12 M CA -1.853 53.438 55.300 -0.015 0.000 1.038 12 M CB 1.233 33.825 32.600 -0.014 0.000 1.641 12 M HN 0.488 nan 8.290 nan 0.000 0.455 13 P HA 0.275 nan 4.420 nan 0.000 0.271 13 P C -1.169 176.109 177.300 -0.035 0.000 1.216 13 P CA -0.259 62.820 63.100 -0.035 0.000 0.771 13 P CB 0.864 32.535 31.700 -0.048 0.000 0.864 14 S N 1.193 116.872 115.700 -0.035 0.000 2.537 14 S HA 0.314 4.784 4.470 -0.000 0.000 0.271 14 S C 0.344 174.926 174.600 -0.031 0.000 1.148 14 S CA -0.712 57.469 58.200 -0.031 0.000 0.868 14 S CB 0.632 63.820 63.200 -0.020 0.000 1.115 14 S HN 0.272 nan 8.310 nan 0.000 0.461 15 L N 3.055 124.261 121.223 -0.028 0.000 2.418 15 L HA 0.205 4.545 4.340 -0.000 0.000 0.218 15 L C 2.721 179.584 176.870 -0.011 0.000 1.125 15 L CA 0.872 55.699 54.840 -0.022 0.000 0.835 15 L CB -0.765 41.283 42.059 -0.019 0.000 0.953 15 L HN 0.844 nan 8.230 nan 0.000 0.454 16 A N 1.530 124.344 122.820 -0.010 0.000 1.896 16 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 16 A C 0.008 177.590 177.584 -0.003 0.000 1.206 16 A CA 2.097 54.131 52.037 -0.005 0.000 0.647 16 A CB -1.867 17.130 19.000 -0.005 0.000 0.828 16 A HN 0.270 nan 8.150 nan 0.000 0.455 17 P HA -0.214 nan 4.420 nan 0.000 0.215 17 P C 1.878 179.177 177.300 -0.002 0.000 1.157 17 P CA 1.617 64.715 63.100 -0.004 0.000 0.874 17 P CB -0.237 31.459 31.700 -0.006 0.000 0.790 18 M N -1.116 118.482 119.600 -0.003 0.000 2.175 18 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 18 M C 1.875 178.177 176.300 0.003 0.000 1.063 18 M CA 1.777 57.077 55.300 0.000 0.000 1.119 18 M CB -1.140 31.459 32.600 -0.001 0.000 1.377 18 M HN -0.071 nan 8.290 nan 0.000 0.415 19 L N 0.481 121.706 121.223 0.003 0.000 2.056 19 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 19 L C 2.418 179.292 176.870 0.007 0.000 1.078 19 L CA 1.727 56.570 54.840 0.006 0.000 0.749 19 L CB -0.833 41.230 42.059 0.006 0.000 0.901 19 L HN 0.426 nan 8.230 nan 0.000 0.433 20 E N 0.046 120.249 120.200 0.005 0.000 2.209 20 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 20 E C 1.768 178.372 176.600 0.007 0.000 0.993 20 E CA 0.876 57.280 56.400 0.006 0.000 0.819 20 E CB -0.082 29.621 29.700 0.005 0.000 0.745 20 E HN 0.350 nan 8.360 nan 0.000 0.477 21 K N 0.690 121.094 120.400 0.006 0.000 2.116 21 K HA 0.022 4.341 4.320 -0.000 0.000 0.203 21 K C 2.185 178.789 176.600 0.007 0.000 1.052 21 K CA 0.848 57.138 56.287 0.006 0.000 0.952 21 K CB 0.012 32.514 32.500 0.005 0.000 0.729 21 K HN 0.139 nan 8.250 nan 0.000 0.446 22 V N 1.421 121.340 119.914 0.008 0.000 2.492 22 V HA -0.074 4.045 4.120 -0.000 0.000 0.241 22 V C 2.358 178.459 176.094 0.011 0.000 1.041 22 V CA 0.823 63.129 62.300 0.010 0.000 1.057 22 V CB -0.393 31.437 31.823 0.011 0.000 0.711 22 V HN 0.166 nan 8.190 nan 0.000 0.468 23 M N 0.129 119.736 119.600 0.012 0.000 2.128 23 M HA -0.235 4.245 4.480 -0.000 0.000 0.253 23 M C -0.227 176.082 176.300 0.015 0.000 1.079 23 M CA 2.475 57.784 55.300 0.014 0.000 1.082 23 M CB -1.817 30.792 32.600 0.015 0.000 1.335 23 M HN 0.281 nan 8.290 nan 0.000 0.401 24 P HA -0.122 nan 4.420 nan 0.000 0.219 24 P C 1.515 178.820 177.300 0.008 0.000 1.146 24 P CA 1.334 64.442 63.100 0.014 0.000 0.808 24 P CB -0.069 31.638 31.700 0.011 0.000 0.779 25 S N -1.255 114.448 115.700 0.006 0.000 2.481 25 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 25 S C 0.722 175.325 174.600 0.005 0.000 0.996 25 S CA 0.202 58.403 58.200 0.002 0.000 0.942 25 S CB -0.442 62.761 63.200 0.004 0.000 0.768 25 S HN -0.171 nan 8.310 nan 0.000 0.520 26 V N 3.400 123.321 119.914 0.010 0.000 2.370 26 V HA 0.496 4.616 4.120 -0.000 0.000 0.279 26 V C 0.158 176.262 176.094 0.017 0.000 1.029 26 V CA -0.586 61.722 62.300 0.013 0.000 0.870 26 V CB 1.099 32.932 31.823 0.016 0.000 0.984 26 V HN 0.296 nan 8.190 nan 0.000 0.451 27 V N 2.685 122.608 119.914 0.016 0.000 3.096 27 V HA 0.929 5.049 4.120 -0.000 0.000 0.319 27 V C -0.014 176.095 176.094 0.025 0.000 1.103 27 V CA -0.632 61.683 62.300 0.024 0.000 1.016 27 V CB 2.269 34.106 31.823 0.022 0.000 1.090 27 V HN 0.851 nan 8.190 nan 0.000 0.449 28 S N 1.632 117.352 115.700 0.032 0.000 2.482 28 S HA 0.785 5.255 4.470 -0.000 0.000 0.303 28 S C -0.641 173.978 174.600 0.031 0.000 1.091 28 S CA -0.665 57.552 58.200 0.028 0.000 1.057 28 S CB 1.129 64.347 63.200 0.030 0.000 1.031 28 S HN 0.751 nan 8.310 nan 0.000 0.485 29 I N 2.905 123.488 120.570 0.022 0.000 2.354 29 I HA 0.372 4.541 4.170 -0.000 0.000 0.292 29 I C -0.346 175.786 176.117 0.024 0.000 0.989 29 I CA -0.717 60.597 61.300 0.024 0.000 1.188 29 I CB 1.212 39.220 38.000 0.014 0.000 1.342 29 I HN 0.602 nan 8.210 nan 0.000 0.457 30 N N 5.578 124.295 118.700 0.027 0.000 2.362 30 N HA 0.570 5.310 4.740 -0.000 0.000 0.298 30 N C -1.077 174.442 175.510 0.015 0.000 1.048 30 N CA -0.364 52.700 53.050 0.023 0.000 0.858 30 N CB 3.010 41.509 38.487 0.020 0.000 1.218 30 N HN 0.195 nan 8.380 nan 0.000 0.488 31 V N 1.637 121.558 119.914 0.012 0.000 2.709 31 V HA 0.368 4.488 4.120 -0.000 0.000 0.308 31 V C -0.468 175.572 176.094 -0.090 0.000 1.062 31 V CA -0.733 61.560 62.300 -0.012 0.000 0.901 31 V CB 2.495 34.343 31.823 0.041 0.000 1.003 31 V HN 0.565 nan 8.190 nan 0.000 0.425 32 E N 1.985 122.086 120.200 -0.165 0.000 2.210 32 E HA 0.747 5.097 4.350 -0.000 0.000 0.266 32 E C -0.082 176.241 176.600 -0.462 0.000 0.883 32 E CA -0.446 55.769 56.400 -0.308 0.000 0.761 32 E CB 2.634 32.224 29.700 -0.183 0.000 1.156 32 E HN 0.885 nan 8.360 nan 0.000 0.412 33 G N 0.772 109.015 108.800 -0.928 0.000 2.870 33 G HA2 0.672 4.632 3.960 -0.000 0.000 0.299 33 G HA3 0.672 4.632 3.960 -0.000 0.000 0.299 33 G C -1.208 173.347 174.900 -0.575 0.000 1.324 33 G CA -0.611 43.995 45.100 -0.824 0.000 0.808 33 G HN 0.500 nan 8.290 nan 0.000 0.535 34 S N -1.802 113.879 115.700 -0.032 0.000 2.537 34 S HA 0.822 5.292 4.470 -0.000 0.000 0.271 34 S C -0.843 173.923 174.600 0.276 0.000 1.148 34 S CA -0.133 58.169 58.200 0.170 0.000 0.868 34 S CB 1.882 65.113 63.200 0.051 0.000 1.115 34 S HN 1.331 nan 8.310 nan 0.000 0.461 83 K N 1.028 121.480 120.400 0.086 0.000 2.174 83 K HA 1.001 5.321 4.320 -0.000 0.000 0.275 83 K C -0.189 176.489 176.600 0.130 0.000 1.015 83 K CA 0.148 56.466 56.287 0.052 0.000 0.933 83 K CB 0.480 32.972 32.500 -0.013 0.000 1.025 83 K HN 1.659 nan 8.250 nan 0.000 0.463 84 F N -1.304 118.656 119.950 0.017 0.000 2.620 84 F HA 0.840 5.367 4.527 -0.000 0.000 0.320 84 F C -0.553 175.259 175.800 0.019 0.000 1.069 84 F CA -1.729 56.283 58.000 0.019 0.000 0.953 84 F CB 1.782 40.795 39.000 0.021 0.000 1.322 84 F HN 0.371 nan 8.300 nan 0.000 0.479 85 M N 2.515 122.240 119.600 0.209 0.000 2.327 85 M HA 0.763 5.243 4.480 -0.000 0.000 0.298 85 M C -0.991 175.448 176.300 0.231 0.000 1.065 85 M CA -0.671 54.687 55.300 0.097 0.000 0.916 85 M CB 2.304 34.929 32.600 0.042 0.000 1.630 85 M HN 1.009 nan 8.290 nan 0.000 0.442 86 A N 2.936 125.875 122.820 0.199 0.000 2.532 86 A HA 1.040 5.360 4.320 -0.000 0.000 0.290 86 A C -1.774 175.869 177.584 0.099 0.000 1.143 86 A CA -0.698 51.448 52.037 0.182 0.000 0.728 86 A CB 1.798 20.955 19.000 0.260 0.000 1.317 86 A HN 0.851 nan 8.150 nan 0.000 0.414 87 L N -2.702 118.562 121.223 0.069 0.000 2.556 87 L HA 1.016 5.356 4.340 -0.000 0.000 0.257 87 L C -0.126 176.751 176.870 0.010 0.000 0.955 87 L CA 0.360 55.222 54.840 0.037 0.000 0.850 87 L CB 1.312 43.392 42.059 0.035 0.000 1.398 87 L HN 1.571 nan 8.230 nan 0.000 0.412 88 G N -0.012 108.788 108.800 -0.001 0.000 2.694 88 G HA2 0.761 4.721 3.960 -0.000 0.000 0.246 88 G HA3 0.761 4.721 3.960 -0.000 0.000 0.246 88 G C -1.499 173.394 174.900 -0.013 0.000 1.205 88 G CA -0.134 44.954 45.100 -0.021 0.000 0.891 88 G HN 0.792 nan 8.290 nan 0.000 0.515 89 S N -1.859 113.830 115.700 -0.018 0.000 2.667 89 S HA 0.914 5.383 4.470 -0.000 0.000 0.292 89 S C -0.221 174.375 174.600 -0.006 0.000 1.126 89 S CA -0.032 58.165 58.200 -0.005 0.000 0.881 89 S CB 1.880 65.079 63.200 -0.001 0.000 1.132 89 S HN 1.549 nan 8.310 nan 0.000 0.492 90 G N -0.232 108.570 108.800 0.003 0.000 2.692 90 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 90 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 90 G C -2.028 172.877 174.900 0.009 0.000 1.423 90 G CA -0.489 44.614 45.100 0.005 0.000 0.843 90 G HN 0.628 nan 8.290 nan 0.000 0.486 91 V N 0.983 120.904 119.914 0.011 0.000 2.588 91 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 91 V C -0.002 176.100 176.094 0.013 0.000 1.042 91 V CA -0.653 61.654 62.300 0.012 0.000 0.877 91 V CB 1.795 33.627 31.823 0.016 0.000 0.996 91 V HN 0.681 nan 8.190 nan 0.000 0.425 92 I N 5.394 125.967 120.570 0.005 0.000 2.505 92 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 92 I C 0.786 176.914 176.117 0.018 0.000 1.104 92 I CA 0.021 61.322 61.300 0.002 0.000 1.387 92 I CB 0.738 38.724 38.000 -0.024 0.000 1.404 92 I HN 0.541 nan 8.210 nan 0.000 0.528 93 I N 3.591 124.189 120.570 0.046 0.000 2.731 93 I HA 0.062 4.232 4.170 -0.000 0.000 0.260 93 I C 0.751 176.908 176.117 0.067 0.000 1.138 93 I CA 1.167 62.500 61.300 0.054 0.000 1.461 93 I CB -0.431 37.604 38.000 0.059 0.000 1.128 93 I HN 0.536 nan 8.210 nan 0.000 0.438 94 D N 0.861 121.317 120.400 0.094 0.000 2.421 94 D HA 0.440 5.079 4.640 -0.000 0.000 0.254 94 D C 0.893 177.169 176.300 -0.040 0.000 1.238 94 D CA -0.128 53.905 54.000 0.055 0.000 0.919 94 D CB 1.955 42.848 40.800 0.155 0.000 1.152 94 D HN 0.041 nan 8.370 nan 0.000 0.552 95 A N 3.419 126.212 122.820 -0.045 0.000 1.948 95 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 95 A C 1.725 179.243 177.584 -0.111 0.000 1.177 95 A CA 1.842 53.834 52.037 -0.075 0.000 0.636 95 A CB -0.103 18.866 19.000 -0.051 0.000 0.815 95 A HN 0.569 nan 8.150 nan 0.000 0.449 96 D N -0.946 119.392 120.400 -0.105 0.000 2.120 96 D HA -0.059 4.580 4.640 -0.000 0.000 0.202 96 D C 1.814 178.001 176.300 -0.188 0.000 0.972 96 D CA 1.046 54.975 54.000 -0.118 0.000 0.837 96 D CB -0.012 40.739 40.800 -0.083 0.000 0.989 96 D HN 0.160 nan 8.370 nan 0.000 0.469 97 K N -0.350 119.881 120.400 -0.281 0.000 2.365 97 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 97 K C 1.282 177.542 176.600 -0.566 0.000 1.042 97 K CA 0.820 56.801 56.287 -0.511 0.000 0.987 97 K CB 0.074 32.036 32.500 -0.898 0.000 0.779 97 K HN 0.275 nan 8.250 nan 0.000 0.484 98 G N 1.606 110.174 108.800 -0.388 0.000 2.182 98 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.248 98 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.248 98 G C -0.370 174.412 174.900 -0.198 0.000 1.042 98 G CA -0.154 44.775 45.100 -0.285 0.000 0.775 98 G HN 0.345 nan 8.290 nan 0.000 0.501 99 Y N -0.823 119.437 120.300 -0.067 0.000 2.402 99 Y HA 0.416 4.966 4.550 -0.000 0.000 0.333 99 Y C 0.766 176.637 175.900 -0.049 0.000 1.076 99 Y CA -0.865 57.205 58.100 -0.051 0.000 1.299 99 Y CB 1.357 39.792 38.460 -0.041 0.000 1.197 99 Y HN 0.057 nan 8.280 nan 0.000 0.517 100 V N 5.652 125.647 119.914 0.136 0.000 2.483 100 V HA 0.213 4.333 4.120 -0.000 0.000 0.297 100 V C -0.466 175.653 176.094 0.041 0.000 1.027 100 V CA -0.885 61.450 62.300 0.058 0.000 0.855 100 V CB 1.780 33.617 31.823 0.023 0.000 0.995 100 V HN 0.544 nan 8.190 nan 0.000 0.424 101 V N 5.137 125.066 119.914 0.025 0.000 2.785 101 V HA 0.845 4.965 4.120 -0.000 0.000 0.300 101 V C 0.205 176.303 176.094 0.007 0.000 1.062 101 V CA 0.791 63.097 62.300 0.010 0.000 1.029 101 V CB 1.914 33.741 31.823 0.006 0.000 1.024 101 V HN 1.112 nan 8.190 nan 0.000 0.477 102 T N 3.644 118.197 114.554 -0.000 0.000 2.677 102 T HA 0.306 4.655 4.350 -0.000 0.000 0.305 102 T C -0.944 173.740 174.700 -0.028 0.000 1.569 102 T CA -0.660 61.431 62.100 -0.016 0.000 0.984 102 T CB 1.006 69.858 68.868 -0.027 0.000 1.629 102 T HN 0.788 nan 8.240 nan 0.000 0.494 103 N N 2.109 120.759 118.700 -0.085 0.000 2.497 103 N HA 0.194 4.934 4.740 -0.000 0.000 0.271 103 N C 1.109 176.528 175.510 -0.151 0.000 1.142 103 N CA -0.296 52.679 53.050 -0.124 0.000 0.965 103 N CB 0.720 39.014 38.487 -0.322 0.000 1.077 103 N HN 0.616 nan 8.380 nan 0.000 0.462 104 N N 1.745 120.439 118.700 -0.011 0.000 2.258 104 N HA -0.258 4.482 4.740 -0.000 0.000 0.187 104 N C 1.406 176.933 175.510 0.028 0.000 1.012 104 N CA 1.369 54.434 53.050 0.024 0.000 0.870 104 N CB 0.026 38.557 38.487 0.074 0.000 0.977 104 N HN 0.654 nan 8.380 nan 0.000 0.434 105 H N -1.930 117.163 119.070 0.039 0.000 2.547 105 H HA 0.122 4.678 4.556 -0.000 0.000 0.266 105 H C 1.207 176.553 175.328 0.031 0.000 0.988 105 H CA 0.507 56.571 56.048 0.026 0.000 1.147 105 H CB -0.016 29.756 29.762 0.016 0.000 1.365 105 H HN 0.147 nan 8.280 nan 0.000 0.589 106 V N 0.627 120.352 119.914 -0.316 0.000 2.992 106 V HA -0.048 4.072 4.120 -0.000 0.000 0.250 106 V C 1.991 178.079 176.094 -0.011 0.000 1.090 106 V CA 0.878 63.072 62.300 -0.176 0.000 1.101 106 V CB 0.681 32.365 31.823 -0.232 0.000 0.743 106 V HN 0.351 nan 8.190 nan 0.000 0.468 107 V N -0.199 119.715 119.914 -0.000 0.000 3.380 107 V HA 0.285 4.405 4.120 -0.000 0.000 0.307 107 V C 0.275 176.420 176.094 0.085 0.000 1.434 107 V CA -0.114 62.216 62.300 0.049 0.000 1.075 107 V CB 0.487 32.323 31.823 0.022 0.000 0.954 107 V HN 0.528 nan 8.190 nan 0.000 0.444 108 D N 1.430 121.887 120.400 0.094 0.000 2.414 108 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 108 D C 0.583 176.989 176.300 0.177 0.000 1.129 108 D CA 0.651 54.714 54.000 0.105 0.000 0.885 108 D CB 0.362 41.211 40.800 0.081 0.000 1.198 108 D HN 0.338 nan 8.370 nan 0.000 0.437 109 N N 1.125 119.917 118.700 0.154 0.000 2.725 109 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 109 N C -1.293 174.365 175.510 0.247 0.000 1.031 109 N CA 0.990 54.164 53.050 0.206 0.000 0.720 109 N CB -1.364 37.273 38.487 0.251 0.000 0.930 109 N HN 0.452 nan 8.380 nan 0.000 0.543 110 A N -0.515 122.385 122.820 0.134 0.000 2.288 110 A HA 0.616 4.936 4.320 -0.000 0.000 0.320 110 A C 1.419 179.004 177.584 0.002 0.000 1.217 110 A CA 0.124 52.192 52.037 0.051 0.000 0.840 110 A CB 0.718 19.751 19.000 0.056 0.000 1.179 110 A HN 0.343 nan 8.150 nan 0.000 0.504 111 T N -0.355 114.166 114.554 -0.055 0.000 2.976 111 T HA 0.185 4.535 4.350 -0.000 0.000 0.257 111 T C 0.411 175.089 174.700 -0.036 0.000 1.051 111 T CA 0.871 62.946 62.100 -0.042 0.000 1.141 111 T CB -0.171 68.660 68.868 -0.063 0.000 0.881 111 T HN 0.400 nan 8.240 nan 0.000 0.461 112 V N 1.722 121.602 119.914 -0.055 0.000 2.531 112 V HA 0.557 4.677 4.120 -0.000 0.000 0.301 112 V C -0.895 175.185 176.094 -0.024 0.000 1.034 112 V CA -1.062 61.217 62.300 -0.035 0.000 0.865 112 V CB 1.830 33.626 31.823 -0.045 0.000 0.995 112 V HN 0.396 nan 8.190 nan 0.000 0.424 113 I N 5.064 125.634 120.570 -0.000 0.000 2.439 113 I HA 0.491 4.660 4.170 -0.000 0.000 0.283 113 I C -0.289 175.844 176.117 0.027 0.000 1.023 113 I CA -0.494 60.814 61.300 0.013 0.000 1.100 113 I CB 1.545 39.559 38.000 0.022 0.000 1.238 113 I HN 0.433 nan 8.210 nan 0.000 0.445 114 K N 5.556 125.974 120.400 0.029 0.000 2.292 114 K HA 0.700 5.020 4.320 -0.000 0.000 0.257 114 K C -1.114 175.522 176.600 0.060 0.000 0.940 114 K CA -0.833 55.482 56.287 0.047 0.000 0.811 114 K CB 3.280 35.798 32.500 0.030 0.000 1.120 114 K HN 0.235 nan 8.250 nan 0.000 0.428 115 V N 2.702 122.675 119.914 0.099 0.000 2.513 115 V HA 0.247 4.367 4.120 -0.000 0.000 0.299 115 V C -0.396 175.786 176.094 0.146 0.000 1.035 115 V CA -0.703 61.660 62.300 0.105 0.000 0.889 115 V CB 1.622 33.502 31.823 0.096 0.000 0.988 115 V HN 0.715 nan 8.190 nan 0.000 0.440 116 Q N 4.110 123.973 119.800 0.106 0.000 2.333 116 Q HA 0.586 4.926 4.340 -0.000 0.000 0.268 116 Q C -0.970 175.092 176.000 0.103 0.000 1.007 116 Q CA -0.571 55.296 55.803 0.106 0.000 0.810 116 Q CB 1.539 30.314 28.738 0.061 0.000 1.264 116 Q HN 0.697 nan 8.270 nan 0.000 0.452 117 L N 1.261 122.568 121.223 0.140 0.000 2.464 117 L HA 0.147 4.487 4.340 -0.000 0.000 0.224 117 L C 1.644 178.556 176.870 0.070 0.000 1.219 117 L CA 0.143 55.047 54.840 0.107 0.000 0.831 117 L CB 0.365 42.514 42.059 0.150 0.000 1.284 117 L HN 0.845 nan 8.230 nan 0.000 0.522 118 S N -1.112 114.620 115.700 0.054 0.000 2.461 118 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 118 S C 1.017 175.639 174.600 0.038 0.000 1.005 118 S CA 0.768 58.992 58.200 0.040 0.000 0.942 118 S CB -0.436 62.782 63.200 0.031 0.000 0.776 118 S HN 0.826 nan 8.310 nan 0.000 0.514 119 D N 0.101 120.528 120.400 0.046 0.000 2.340 119 D HA 0.317 4.957 4.640 -0.000 0.000 0.220 119 D C 1.440 177.760 176.300 0.033 0.000 1.039 119 D CA 0.659 54.681 54.000 0.038 0.000 0.866 119 D CB -0.423 40.402 40.800 0.042 0.000 0.913 119 D HN 0.569 nan 8.370 nan 0.000 0.523 120 G N -0.033 108.791 108.800 0.039 0.000 2.218 120 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 120 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 120 G C 0.272 175.182 174.900 0.016 0.000 0.994 120 G CA -0.323 44.792 45.100 0.025 0.000 0.637 120 G HN 0.373 nan 8.290 nan 0.000 0.505 121 R N 1.080 121.598 120.500 0.032 0.000 2.570 121 R HA 0.402 4.742 4.340 -0.000 0.000 0.277 121 R C 0.239 176.522 176.300 -0.029 0.000 1.039 121 R CA 0.415 56.500 56.100 -0.025 0.000 1.065 121 R CB 0.483 30.807 30.300 0.039 0.000 0.964 121 R HN 0.218 nan 8.270 nan 0.000 0.428 122 K N 2.532 122.811 120.400 -0.201 0.000 2.123 122 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 122 K C -0.848 175.503 176.600 -0.415 0.000 0.960 122 K CA -0.393 55.809 56.287 -0.141 0.000 0.872 122 K CB 1.129 33.572 32.500 -0.096 0.000 1.079 122 K HN 0.259 nan 8.250 nan 0.000 0.440 123 F N -0.164 119.783 119.950 -0.005 0.000 2.643 123 F HA 0.273 4.800 4.527 -0.000 0.000 0.314 123 F C -0.098 175.698 175.800 -0.006 0.000 1.096 123 F CA -0.914 57.082 58.000 -0.007 0.000 0.953 123 F CB 1.811 40.806 39.000 -0.008 0.000 1.345 123 F HN 0.321 nan 8.300 nan 0.000 0.468 124 D N 1.140 121.658 120.400 0.196 0.000 2.192 124 D HA 0.628 5.268 4.640 -0.000 0.000 0.246 124 D C -0.946 175.415 176.300 0.102 0.000 1.042 124 D CA -0.113 53.952 54.000 0.108 0.000 0.847 124 D CB 2.190 43.028 40.800 0.062 0.000 1.186 124 D HN 0.602 nan 8.370 nan 0.000 0.461 125 A N 2.414 125.275 122.820 0.069 0.000 2.374 125 A HA 0.592 4.912 4.320 -0.000 0.000 0.317 125 A C -0.474 177.134 177.584 0.040 0.000 1.094 125 A CA -0.740 51.327 52.037 0.050 0.000 0.765 125 A CB 1.661 20.688 19.000 0.044 0.000 1.268 125 A HN 0.283 nan 8.150 nan 0.000 0.438 126 K N 1.204 121.628 120.400 0.039 0.000 2.259 126 K HA 0.444 4.764 4.320 -0.000 0.000 0.252 126 K C -0.541 176.086 176.600 0.044 0.000 0.936 126 K CA -0.905 55.404 56.287 0.038 0.000 0.810 126 K CB 1.824 34.345 32.500 0.035 0.000 1.143 126 K HN 0.806 nan 8.250 nan 0.000 0.427 127 M N 2.176 121.799 119.600 0.039 0.000 2.250 127 M HA -0.049 4.430 4.480 -0.000 0.000 0.337 127 M C 0.294 176.620 176.300 0.043 0.000 1.161 127 M CA 0.589 55.912 55.300 0.039 0.000 1.088 127 M CB 0.497 33.117 32.600 0.034 0.000 1.639 127 M HN 0.458 nan 8.290 nan 0.000 0.447 128 V N 2.692 122.629 119.914 0.039 0.000 2.996 128 V HA 0.538 4.658 4.120 -0.000 0.000 0.235 128 V C 0.790 176.890 176.094 0.009 0.000 1.205 128 V CA 0.803 63.122 62.300 0.032 0.000 1.225 128 V CB 0.534 32.376 31.823 0.032 0.000 0.995 128 V HN 0.961 nan 8.190 nan 0.000 0.484 129 G N 0.519 109.320 108.800 0.001 0.000 2.677 129 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 129 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 129 G C -1.709 173.195 174.900 0.007 0.000 1.435 129 G CA -0.575 44.526 45.100 0.001 0.000 0.826 129 G HN 0.281 nan 8.290 nan 0.000 0.491 130 K N 0.003 120.412 120.400 0.015 0.000 2.542 130 K HA 0.624 4.944 4.320 -0.000 0.000 0.259 130 K C -2.318 174.297 176.600 0.026 0.000 0.932 130 K CA -0.964 55.336 56.287 0.022 0.000 0.820 130 K CB 2.962 35.480 32.500 0.030 0.000 1.345 130 K HN 0.384 nan 8.250 nan 0.000 0.432 131 D N 3.378 123.797 120.400 0.032 0.000 2.363 131 D HA 0.318 4.958 4.640 -0.000 0.000 0.258 131 D C -2.063 174.275 176.300 0.062 0.000 1.259 131 D CA -2.241 51.782 54.000 0.039 0.000 0.921 131 D CB 1.933 42.745 40.800 0.020 0.000 1.201 131 D HN 0.222 nan 8.370 nan 0.000 0.524 132 P HA -0.137 nan 4.420 nan 0.000 0.216 132 P C 1.453 178.807 177.300 0.090 0.000 1.150 132 P CA 0.764 63.910 63.100 0.075 0.000 0.843 132 P CB 0.322 32.058 31.700 0.059 0.000 0.787 133 R N -0.144 120.423 120.500 0.112 0.000 2.127 133 R HA -0.060 4.280 4.340 -0.000 0.000 0.238 133 R C 2.017 178.440 176.300 0.204 0.000 1.134 133 R CA 1.980 58.180 56.100 0.166 0.000 0.975 133 R CB -1.260 29.231 30.300 0.319 0.000 0.865 133 R HN 0.360 nan 8.270 nan 0.000 0.447 134 S N -1.067 114.730 115.700 0.162 0.000 2.540 134 S HA 0.043 4.513 4.470 -0.000 0.000 0.222 134 S C 0.284 174.946 174.600 0.104 0.000 1.008 134 S CA 0.084 58.355 58.200 0.118 0.000 0.939 134 S CB 0.518 63.752 63.200 0.057 0.000 0.865 134 S HN 0.174 nan 8.310 nan 0.000 0.499 135 D N 0.589 121.060 120.400 0.117 0.000 2.870 135 D HA -0.128 4.512 4.640 -0.000 0.000 0.228 135 D C -0.947 175.427 176.300 0.124 0.000 1.147 135 D CA 0.486 54.578 54.000 0.154 0.000 0.757 135 D CB -1.440 39.495 40.800 0.226 0.000 1.091 135 D HN 0.429 nan 8.370 nan 0.000 0.429 136 I N 0.541 121.157 120.570 0.077 0.000 2.406 136 I HA 0.684 4.854 4.170 -0.000 0.000 0.290 136 I C 0.672 176.805 176.117 0.026 0.000 0.999 136 I CA -0.776 60.552 61.300 0.047 0.000 1.124 136 I CB 1.259 39.276 38.000 0.030 0.000 1.289 136 I HN 0.140 nan 8.210 nan 0.000 0.441 137 A N 6.559 129.387 122.820 0.014 0.000 2.423 137 A HA 0.872 5.192 4.320 -0.000 0.000 0.304 137 A C -1.569 176.013 177.584 -0.004 0.000 1.104 137 A CA -0.552 51.488 52.037 0.006 0.000 0.757 137 A CB 2.169 21.174 19.000 0.009 0.000 1.313 137 A HN 0.543 nan 8.150 nan 0.000 0.423 138 L N 2.260 123.478 121.223 -0.008 0.000 2.381 138 L HA 0.784 5.124 4.340 -0.000 0.000 0.274 138 L C -0.620 176.259 176.870 0.015 0.000 0.988 138 L CA -0.407 54.425 54.840 -0.015 0.000 0.824 138 L CB 1.360 43.376 42.059 -0.072 0.000 1.263 138 L HN 0.748 nan 8.230 nan 0.000 0.410 139 I N 0.954 121.551 120.570 0.044 0.000 3.023 139 I HA 0.667 4.837 4.170 -0.000 0.000 0.312 139 I C -1.110 175.082 176.117 0.124 0.000 1.056 139 I CA -0.797 60.543 61.300 0.067 0.000 1.033 139 I CB 2.072 40.099 38.000 0.045 0.000 1.233 139 I HN 0.773 nan 8.210 nan 0.000 0.462 140 Q N 2.925 122.789 119.800 0.106 0.000 2.292 140 Q HA 0.519 4.859 4.340 -0.000 0.000 0.270 140 Q C -1.421 174.583 176.000 0.006 0.000 1.024 140 Q CA -0.745 55.112 55.803 0.090 0.000 0.768 140 Q CB 2.265 31.077 28.738 0.123 0.000 1.250 140 Q HN 0.729 nan 8.270 nan 0.000 0.447 141 I N 3.906 124.440 120.570 -0.060 0.000 2.618 141 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 141 I C 0.276 176.356 176.117 -0.063 0.000 1.146 141 I CA 0.036 61.283 61.300 -0.089 0.000 1.425 141 I CB 0.658 38.501 38.000 -0.262 0.000 1.383 141 I HN 0.468 nan 8.210 nan 0.000 0.562 142 Q N 6.015 125.830 119.800 0.025 0.000 2.286 142 Q HA 0.157 4.497 4.340 -0.000 0.000 0.257 142 Q C -0.122 175.939 176.000 0.101 0.000 0.941 142 Q CA -0.251 55.580 55.803 0.047 0.000 0.912 142 Q CB 0.797 29.574 28.738 0.065 0.000 1.192 142 Q HN 0.497 nan 8.270 nan 0.000 0.410 143 N N 1.139 119.871 118.700 0.054 0.000 2.681 143 N HA -0.123 4.616 4.740 -0.000 0.000 0.259 143 N C -2.614 172.952 175.510 0.093 0.000 1.066 143 N CA 0.193 53.293 53.050 0.083 0.000 0.717 143 N CB -0.976 37.587 38.487 0.126 0.000 0.885 143 N HN 0.349 nan 8.380 nan 0.000 0.547 144 P HA 0.147 nan 4.420 nan 0.000 0.271 144 P C -0.289 176.967 177.300 -0.073 0.000 1.233 144 P CA 0.617 63.607 63.100 -0.183 0.000 0.764 144 P CB 0.572 32.149 31.700 -0.204 0.000 0.825 145 K N 3.081 123.458 120.400 -0.039 0.000 2.545 145 K HA 0.273 4.593 4.320 -0.000 0.000 0.252 145 K C -0.537 176.086 176.600 0.038 0.000 0.948 145 K CA -0.718 55.602 56.287 0.055 0.000 0.827 145 K CB 0.978 33.577 32.500 0.164 0.000 1.128 145 K HN 0.213 nan 8.250 nan 0.000 0.429 146 N N 2.498 121.200 118.700 0.002 0.000 2.681 146 N HA -0.180 4.560 4.740 -0.000 0.000 0.259 146 N C -1.305 174.196 175.510 -0.014 0.000 1.066 146 N CA 0.557 53.609 53.050 0.005 0.000 0.717 146 N CB -0.852 37.656 38.487 0.034 0.000 0.885 146 N HN 0.560 nan 8.380 nan 0.000 0.547 147 L N -0.221 120.968 121.223 -0.056 0.000 2.400 147 L HA 0.589 4.928 4.340 -0.000 0.000 0.264 147 L C 0.776 177.619 176.870 -0.046 0.000 1.061 147 L CA -0.686 54.109 54.840 -0.076 0.000 0.799 147 L CB 1.593 43.568 42.059 -0.140 0.000 1.240 147 L HN 0.124 nan 8.230 nan 0.000 0.461 148 T N 0.997 115.529 114.554 -0.038 0.000 2.847 148 T HA 0.572 4.922 4.350 -0.000 0.000 0.291 148 T C -0.247 174.441 174.700 -0.020 0.000 0.998 148 T CA -0.464 61.623 62.100 -0.022 0.000 0.967 148 T CB 1.578 70.441 68.868 -0.009 0.000 0.954 148 T HN 0.651 nan 8.240 nan 0.000 0.441 149 A N 3.515 126.325 122.820 -0.016 0.000 2.271 149 A HA 0.833 5.153 4.320 -0.000 0.000 0.288 149 A C -0.127 177.457 177.584 0.000 0.000 1.094 149 A CA -0.700 51.333 52.037 -0.007 0.000 0.828 149 A CB 0.434 19.432 19.000 -0.003 0.000 1.091 149 A HN 0.891 nan 8.150 nan 0.000 0.493 150 I N 0.059 120.632 120.570 0.006 0.000 2.498 150 I HA 0.373 4.543 4.170 -0.000 0.000 0.301 150 I C 0.184 176.307 176.117 0.010 0.000 0.984 150 I CA -0.710 60.595 61.300 0.008 0.000 1.204 150 I CB 1.270 39.276 38.000 0.011 0.000 1.362 150 I HN 0.697 nan 8.210 nan 0.000 0.471 151 K N 7.552 127.958 120.400 0.010 0.000 2.234 151 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 151 K C -1.017 175.590 176.600 0.012 0.000 1.039 151 K CA -0.522 55.771 56.287 0.010 0.000 0.928 151 K CB 0.942 33.448 32.500 0.009 0.000 1.039 151 K HN 0.612 nan 8.250 nan 0.000 0.470 152 M N 3.058 122.664 119.600 0.011 0.000 2.264 152 M HA 0.324 4.804 4.480 -0.000 0.000 0.352 152 M C -0.108 176.199 176.300 0.012 0.000 1.173 152 M CA -0.623 54.684 55.300 0.012 0.000 1.075 152 M CB 1.826 34.432 32.600 0.010 0.000 1.621 152 M HN 0.678 nan 8.290 nan 0.000 0.457 153 A N 1.273 124.102 122.820 0.015 0.000 2.269 153 A HA 0.416 4.735 4.320 -0.000 0.000 0.327 153 A C -0.740 176.852 177.584 0.013 0.000 1.112 153 A CA -0.622 51.424 52.037 0.015 0.000 0.865 153 A CB 0.685 19.696 19.000 0.018 0.000 1.227 153 A HN 0.738 nan 8.150 nan 0.000 0.498 154 D N 0.678 121.085 120.400 0.012 0.000 2.352 154 D HA 0.194 4.834 4.640 -0.000 0.000 0.245 154 D C 1.403 177.711 176.300 0.013 0.000 1.224 154 D CA 0.591 54.597 54.000 0.010 0.000 0.879 154 D CB 0.701 41.505 40.800 0.007 0.000 1.057 154 D HN 0.420 nan 8.370 nan 0.000 0.491 155 S N 2.474 118.183 115.700 0.015 0.000 2.469 155 S HA -0.170 4.299 4.470 -0.000 0.000 0.238 155 S C 1.054 175.665 174.600 0.017 0.000 0.998 155 S CA 0.459 58.671 58.200 0.020 0.000 0.957 155 S CB 0.095 63.309 63.200 0.024 0.000 0.764 155 S HN 0.399 nan 8.310 nan 0.000 0.514 156 D N 1.855 122.262 120.400 0.011 0.000 2.378 156 D HA 0.218 4.858 4.640 -0.000 0.000 0.227 156 D C 1.647 177.953 176.300 0.011 0.000 1.012 156 D CA 0.880 54.885 54.000 0.009 0.000 0.905 156 D CB -0.143 40.659 40.800 0.004 0.000 0.895 156 D HN 0.628 nan 8.370 nan 0.000 0.532 157 A N -0.145 122.682 122.820 0.013 0.000 2.169 157 A HA 0.160 4.480 4.320 -0.000 0.000 0.210 157 A C 1.120 178.712 177.584 0.014 0.000 1.168 157 A CA -0.242 51.803 52.037 0.013 0.000 0.813 157 A CB 0.009 19.017 19.000 0.013 0.000 0.861 157 A HN 0.125 nan 8.150 nan 0.000 0.481 158 L N 0.835 122.068 121.223 0.017 0.000 2.506 158 L HA 0.134 4.474 4.340 -0.000 0.000 0.281 158 L C 0.235 177.112 176.870 0.011 0.000 1.228 158 L CA 0.428 55.278 54.840 0.016 0.000 0.850 158 L CB 0.295 42.367 42.059 0.023 0.000 1.110 158 L HN 0.356 nan 8.230 nan 0.000 0.496 159 R N 1.632 122.133 120.500 0.003 0.000 2.604 159 R HA 0.371 4.711 4.340 -0.000 0.000 0.281 159 R C -1.284 175.004 176.300 -0.019 0.000 1.020 159 R CA -0.991 55.107 56.100 -0.004 0.000 0.899 159 R CB 2.028 32.325 30.300 -0.005 0.000 1.205 159 R HN 0.240 nan 8.270 nan 0.000 0.450 160 V N 2.733 122.637 119.914 -0.017 0.000 2.583 160 V HA 0.083 4.203 4.120 -0.000 0.000 0.302 160 V C 1.354 177.411 176.094 -0.062 0.000 1.033 160 V CA 2.165 64.446 62.300 -0.032 0.000 1.194 160 V CB 0.502 32.314 31.823 -0.018 0.000 0.879 160 V HN 1.188 nan 8.190 nan 0.000 0.482 161 G N 3.807 112.544 108.800 -0.105 0.000 2.284 161 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.201 161 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.201 161 G C -0.085 174.648 174.900 -0.278 0.000 0.998 161 G CA -0.166 44.827 45.100 -0.178 0.000 0.651 161 G HN 0.630 nan 8.290 nan 0.000 0.489 162 D N 0.588 120.888 120.400 -0.166 0.000 2.414 162 D HA 0.386 5.025 4.640 -0.000 0.000 0.242 162 D C 0.212 176.414 176.300 -0.162 0.000 1.129 162 D CA 0.283 54.210 54.000 -0.123 0.000 0.885 162 D CB 0.353 41.139 40.800 -0.022 0.000 1.198 162 D HN 0.295 nan 8.370 nan 0.000 0.437 163 Y N 0.459 120.763 120.300 0.006 0.000 2.359 163 Y HA 0.221 4.770 4.550 -0.000 0.000 0.330 163 Y C 1.360 177.262 175.900 0.004 0.000 1.143 163 Y CA -0.156 57.946 58.100 0.004 0.000 1.318 163 Y CB 0.885 39.347 38.460 0.003 0.000 1.234 163 Y HN 0.153 nan 8.280 nan 0.000 0.522 164 T N -0.303 114.341 114.554 0.150 0.000 2.893 164 T HA 0.785 5.135 4.350 -0.000 0.000 0.291 164 T C -1.204 173.542 174.700 0.077 0.000 1.028 164 T CA -0.889 61.262 62.100 0.086 0.000 0.995 164 T CB 1.517 70.412 68.868 0.044 0.000 1.051 164 T HN 0.313 nan 8.240 nan 0.000 0.470 165 V N 1.631 121.578 119.914 0.054 0.000 2.531 165 V HA 0.768 4.888 4.120 -0.000 0.000 0.301 165 V C 0.176 176.288 176.094 0.030 0.000 1.034 165 V CA -0.903 61.421 62.300 0.040 0.000 0.865 165 V CB 1.367 33.210 31.823 0.034 0.000 0.995 165 V HN 1.340 nan 8.190 nan 0.000 0.424 166 A N 6.376 129.210 122.820 0.024 0.000 2.312 166 A HA 0.938 5.258 4.320 -0.000 0.000 0.326 166 A C -0.723 176.873 177.584 0.019 0.000 1.172 166 A CA -0.474 51.574 52.037 0.019 0.000 0.821 166 A CB 0.652 19.658 19.000 0.011 0.000 1.166 166 A HN 0.771 nan 8.150 nan 0.000 0.493 167 I N 1.692 122.273 120.570 0.018 0.000 2.512 167 I HA 0.663 4.832 4.170 -0.000 0.000 0.287 167 I C 0.461 176.588 176.117 0.016 0.000 1.069 167 I CA -0.213 61.098 61.300 0.018 0.000 1.056 167 I CB 2.257 40.268 38.000 0.019 0.000 1.229 167 I HN 0.883 nan 8.210 nan 0.000 0.429 168 G N 3.780 112.589 108.800 0.016 0.000 2.494 168 G HA2 0.212 4.172 3.960 -0.000 0.000 0.308 168 G HA3 0.212 4.172 3.960 -0.000 0.000 0.308 168 G C -1.788 173.120 174.900 0.014 0.000 1.263 168 G CA -0.410 44.697 45.100 0.011 0.000 0.840 168 G HN 0.432 nan 8.290 nan 0.000 0.479 169 N N 1.202 119.905 118.700 0.005 0.000 2.844 169 N HA 0.455 5.195 4.740 -0.000 0.000 0.268 169 N C -2.848 172.659 175.510 -0.005 0.000 1.574 169 N CA -1.602 51.457 53.050 0.014 0.000 0.838 169 N CB 1.428 39.926 38.487 0.017 0.000 1.177 169 N HN 0.050 nan 8.380 nan 0.000 0.495 170 P HA 0.134 nan 4.420 nan 0.000 0.266 170 P C -0.292 177.068 177.300 0.099 0.000 1.215 170 P CA 0.160 63.229 63.100 -0.052 0.000 0.763 170 P CB -0.217 31.549 31.700 0.111 0.000 0.806 171 F N 2.056 122.021 119.950 0.025 0.000 3.069 171 F HA -0.251 4.276 4.527 -0.000 0.000 0.285 171 F C 1.558 177.373 175.800 0.024 0.000 0.827 171 F CA 1.080 59.095 58.000 0.025 0.000 1.108 171 F CB -2.571 36.441 39.000 0.020 0.000 1.252 171 F HN 0.630 nan 8.300 nan 0.000 0.483 172 G N -0.303 108.570 108.800 0.122 0.000 2.166 172 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 172 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 172 G C 0.957 175.912 174.900 0.092 0.000 0.986 172 G CA 0.343 45.497 45.100 0.090 0.000 0.683 172 G HN 0.550 nan 8.290 nan 0.000 0.527 173 L N -0.253 121.042 121.223 0.119 0.000 2.127 173 L HA 0.269 4.609 4.340 -0.000 0.000 0.211 173 L C 1.842 178.750 176.870 0.063 0.000 1.089 173 L CA 1.604 56.499 54.840 0.092 0.000 0.757 173 L CB -0.508 41.616 42.059 0.108 0.000 0.899 173 L HN 1.276 nan 8.230 nan 0.000 0.434 174 G N -0.593 108.242 108.800 0.058 0.000 2.371 174 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.663 174 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.663 174 G C -0.843 174.082 174.900 0.041 0.000 1.311 174 G CA -0.754 44.372 45.100 0.044 0.000 0.985 174 G HN 0.042 nan 8.290 nan 0.000 0.566 175 E N 0.135 120.355 120.200 0.034 0.000 2.491 175 E HA 0.373 4.722 4.350 -0.000 0.000 0.250 175 E C -0.206 176.413 176.600 0.031 0.000 1.061 175 E CA 0.676 57.094 56.400 0.030 0.000 0.942 175 E CB 0.111 29.827 29.700 0.027 0.000 0.957 175 E HN 0.436 nan 8.360 nan 0.000 0.480 176 T N 3.683 118.257 114.554 0.032 0.000 2.824 176 T HA 0.350 4.700 4.350 -0.000 0.000 0.282 176 T C -0.774 173.943 174.700 0.029 0.000 0.993 176 T CA -0.646 61.475 62.100 0.035 0.000 0.967 176 T CB 1.486 70.383 68.868 0.048 0.000 0.960 176 T HN 0.175 nan 8.240 nan 0.000 0.441 177 V N 4.237 124.166 119.914 0.025 0.000 2.398 177 V HA 0.721 4.841 4.120 -0.000 0.000 0.286 177 V C 0.442 176.549 176.094 0.022 0.000 1.026 177 V CA -0.649 61.664 62.300 0.022 0.000 0.868 177 V CB 1.528 33.362 31.823 0.018 0.000 0.982 177 V HN 1.124 nan 8.190 nan 0.000 0.443 178 T N 1.112 115.679 114.554 0.022 0.000 2.906 178 T HA 0.823 5.173 4.350 -0.000 0.000 0.295 178 T C -0.294 174.421 174.700 0.024 0.000 1.075 178 T CA -0.560 61.553 62.100 0.022 0.000 1.005 178 T CB 2.047 70.928 68.868 0.022 0.000 1.136 178 T HN 0.773 nan 8.240 nan 0.000 0.498 179 S N -0.183 115.534 115.700 0.029 0.000 2.715 179 S HA 1.035 5.505 4.470 -0.000 0.000 0.307 179 S C 0.127 174.757 174.600 0.051 0.000 1.119 179 S CA -0.261 57.965 58.200 0.044 0.000 0.937 179 S CB 1.570 64.798 63.200 0.047 0.000 1.150 179 S HN 1.820 nan 8.310 nan 0.000 0.521 180 G N -0.165 108.683 108.800 0.080 0.000 2.364 180 G HA2 0.487 4.447 3.960 -0.000 0.000 0.286 180 G HA3 0.487 4.447 3.960 -0.000 0.000 0.286 180 G C -1.479 173.465 174.900 0.072 0.000 1.241 180 G CA -0.289 44.851 45.100 0.066 0.000 0.887 180 G HN 1.563 nan 8.290 nan 0.000 0.484 181 I N -2.304 118.259 120.570 -0.011 0.000 3.145 181 I HA 0.798 4.968 4.170 -0.000 0.000 0.313 181 I C -0.545 175.529 176.117 -0.072 0.000 1.122 181 I CA -1.447 59.799 61.300 -0.090 0.000 0.987 181 I CB 2.093 39.968 38.000 -0.207 0.000 1.236 181 I HN 0.325 nan 8.210 nan 0.000 0.453 182 V N 3.496 123.361 119.914 -0.081 0.000 2.390 182 V HA 0.056 4.176 4.120 -0.000 0.000 0.260 182 V C 1.182 177.246 176.094 -0.051 0.000 1.043 182 V CA 0.409 62.680 62.300 -0.048 0.000 1.047 182 V CB 0.047 31.851 31.823 -0.033 0.000 1.066 182 V HN 0.918 nan 8.190 nan 0.000 0.481 183 S N 3.332 119.004 115.700 -0.046 0.000 2.355 183 S HA 0.198 4.668 4.470 -0.000 0.000 0.222 183 S C 0.787 175.380 174.600 -0.011 0.000 1.031 183 S CA 1.194 59.370 58.200 -0.040 0.000 0.993 183 S CB 0.115 63.281 63.200 -0.057 0.000 0.859 183 S HN 0.994 nan 8.310 nan 0.000 0.453 184 A N -0.335 122.494 122.820 0.015 0.000 2.599 184 A HA 0.764 5.084 4.320 -0.000 0.000 0.290 184 A C -1.795 175.834 177.584 0.075 0.000 1.101 184 A CA -0.745 51.320 52.037 0.046 0.000 0.674 184 A CB 0.774 19.815 19.000 0.069 0.000 1.277 184 A HN 0.212 nan 8.150 nan 0.000 0.419 185 L N -0.169 121.100 121.223 0.078 0.000 2.333 185 L HA 0.686 5.026 4.340 -0.000 0.000 0.263 185 L C 1.205 178.132 176.870 0.095 0.000 1.014 185 L CA -0.087 54.807 54.840 0.089 0.000 0.820 185 L CB 2.049 44.142 42.059 0.057 0.000 1.352 185 L HN 1.716 nan 8.230 nan 0.000 0.421 186 G N 0.811 109.669 108.800 0.097 0.000 2.198 186 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 186 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 186 G C 0.244 175.196 174.900 0.087 0.000 1.025 186 G CA -0.197 44.944 45.100 0.069 0.000 0.769 186 G HN 0.392 nan 8.290 nan 0.000 0.507 187 R N 0.382 120.978 120.500 0.160 0.000 2.543 187 R HA 0.586 4.926 4.340 -0.000 0.000 0.277 187 R C 0.633 177.010 176.300 0.128 0.000 1.074 187 R CA 0.840 57.045 56.100 0.175 0.000 1.076 187 R CB 1.069 31.554 30.300 0.308 0.000 0.993 187 R HN 0.980 nan 8.270 nan 0.000 0.459 188 S N -1.418 114.317 115.700 0.058 0.000 2.611 188 S HA 0.639 5.109 4.470 -0.000 0.000 0.268 188 S C 0.331 174.926 174.600 -0.009 0.000 1.156 188 S CA -0.213 57.992 58.200 0.008 0.000 0.817 188 S CB 1.947 65.124 63.200 -0.039 0.000 1.122 188 S HN 0.723 nan 8.310 nan 0.000 0.466 189 G N -0.254 108.533 108.800 -0.022 0.000 2.227 189 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 189 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 189 G C 0.549 175.425 174.900 -0.039 0.000 1.006 189 G CA -0.001 45.084 45.100 -0.025 0.000 0.684 189 G HN 0.834 nan 8.290 nan 0.000 0.489 190 L N -0.335 120.858 121.223 -0.049 0.000 2.141 190 L HA 0.187 4.527 4.340 -0.000 0.000 0.209 190 L C 0.989 177.839 176.870 -0.034 0.000 1.094 190 L CA 1.271 56.072 54.840 -0.065 0.000 0.763 190 L CB -0.127 41.871 42.059 -0.102 0.000 0.908 190 L HN 0.268 nan 8.230 nan 0.000 0.437 191 N N -0.626 118.061 118.700 -0.021 0.000 2.629 191 N HA 0.275 5.015 4.740 -0.000 0.000 0.277 191 N C 0.246 175.725 175.510 -0.052 0.000 1.188 191 N CA 0.151 53.182 53.050 -0.032 0.000 0.835 191 N CB 1.674 40.146 38.487 -0.025 0.000 1.420 191 N HN -0.006 nan 8.380 nan 0.000 0.542 192 A N 2.356 125.147 122.820 -0.049 0.000 2.186 192 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 192 A C 1.483 179.012 177.584 -0.092 0.000 1.159 192 A CA 1.640 53.644 52.037 -0.055 0.000 0.680 192 A CB -0.260 18.720 19.000 -0.034 0.000 0.787 192 A HN 0.813 nan 8.150 nan 0.000 0.467 193 E N -0.757 119.380 120.200 -0.104 0.000 2.400 193 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 193 E C -0.177 176.277 176.600 -0.244 0.000 1.012 193 E CA -0.304 56.007 56.400 -0.148 0.000 0.875 193 E CB -0.096 29.548 29.700 -0.094 0.000 0.859 193 E HN 0.398 nan 8.360 nan 0.000 0.498 194 N N 0.924 119.506 118.700 -0.197 0.000 2.508 194 N HA 0.134 4.874 4.740 -0.000 0.000 0.285 194 N C -1.239 174.095 175.510 -0.293 0.000 1.144 194 N CA -0.386 52.545 53.050 -0.198 0.000 0.978 194 N CB 0.487 38.937 38.487 -0.063 0.000 1.180 194 N HN 0.098 nan 8.380 nan 0.000 0.484 195 Y N 0.589 120.833 120.300 -0.093 0.000 2.585 195 Y HA 0.128 4.678 4.550 -0.001 0.000 0.354 195 Y C 0.551 176.310 175.900 -0.235 0.000 1.024 195 Y CA -0.291 57.728 58.100 -0.136 0.000 1.321 195 Y CB 0.002 38.396 38.460 -0.110 0.000 1.151 195 Y HN 0.350 nan 8.280 nan 0.000 0.525 196 E N 1.273 121.347 120.200 -0.209 0.000 2.241 196 E HA 0.319 4.669 4.350 -0.000 0.000 0.263 196 E C -1.090 175.248 176.600 -0.437 0.000 0.882 196 E CA -0.977 55.089 56.400 -0.558 0.000 0.769 196 E CB 1.610 30.890 29.700 -0.699 0.000 1.185 196 E HN 0.372 nan 8.360 nan 0.000 0.415 197 N N 3.238 121.661 118.700 -0.461 0.000 2.571 197 N HA 0.170 4.910 4.740 -0.000 0.000 0.298 197 N C -1.356 174.099 175.510 -0.090 0.000 1.671 197 N CA -0.552 52.381 53.050 -0.195 0.000 0.900 197 N CB 0.084 38.508 38.487 -0.106 0.000 1.365 197 N HN 0.317 nan 8.380 nan 0.000 0.493 198 F N 0.804 120.785 119.950 0.051 0.000 2.657 198 F HA 0.056 4.582 4.527 -0.000 0.000 0.347 198 F C 1.281 177.163 175.800 0.136 0.000 1.180 198 F CA 0.296 58.363 58.000 0.113 0.000 1.383 198 F CB 0.332 39.431 39.000 0.164 0.000 1.077 198 F HN 0.005 nan 8.300 nan 0.000 0.622 199 I N 1.754 122.553 120.570 0.383 0.000 2.359 199 I HA 0.240 4.409 4.170 -0.000 0.000 0.294 199 I C -0.187 176.057 176.117 0.211 0.000 0.987 199 I CA -0.688 60.749 61.300 0.228 0.000 1.225 199 I CB 1.464 39.550 38.000 0.144 0.000 1.366 199 I HN 0.511 nan 8.210 nan 0.000 0.466 200 Q N 4.277 124.156 119.800 0.131 0.000 2.256 200 Q HA 0.489 4.828 4.340 -0.000 0.000 0.257 200 Q C -0.864 175.084 176.000 -0.086 0.000 0.936 200 Q CA -0.311 55.471 55.803 -0.035 0.000 0.903 200 Q CB 1.851 30.585 28.738 -0.007 0.000 1.263 200 Q HN 0.697 nan 8.270 nan 0.000 0.440 201 T N 1.249 115.702 114.554 -0.169 0.000 2.916 201 T HA 0.181 4.531 4.350 -0.000 0.000 0.305 201 T C -0.546 174.071 174.700 -0.139 0.000 1.119 201 T CA -0.652 61.379 62.100 -0.114 0.000 1.008 201 T CB 0.966 69.795 68.868 -0.066 0.000 1.129 201 T HN 0.769 nan 8.240 nan 0.000 0.480 202 D N 1.993 122.338 120.400 -0.091 0.000 2.328 202 D HA 0.245 4.885 4.640 -0.000 0.000 0.226 202 D C 0.816 177.086 176.300 -0.050 0.000 1.066 202 D CA -0.267 53.687 54.000 -0.077 0.000 0.861 202 D CB -0.289 40.479 40.800 -0.053 0.000 0.912 202 D HN 0.603 nan 8.370 nan 0.000 0.521 203 A N 0.603 123.396 122.820 -0.044 0.000 2.477 203 A HA 0.499 4.819 4.320 -0.000 0.000 0.246 203 A C 0.762 178.330 177.584 -0.026 0.000 1.078 203 A CA -0.079 51.946 52.037 -0.019 0.000 0.770 203 A CB 0.090 19.085 19.000 -0.007 0.000 1.011 203 A HN 0.379 nan 8.150 nan 0.000 0.494 204 A N 3.070 125.886 122.820 -0.007 0.000 2.526 204 A HA 0.442 4.761 4.320 -0.000 0.000 0.267 204 A C 0.020 177.603 177.584 -0.001 0.000 1.095 204 A CA 0.545 52.583 52.037 0.001 0.000 0.775 204 A CB -0.682 18.330 19.000 0.020 0.000 1.036 204 A HN 0.717 nan 8.150 nan 0.000 0.510 205 I N 3.828 124.389 120.570 -0.015 0.000 2.499 205 I HA 0.342 4.511 4.170 -0.000 0.000 0.288 205 I C -0.422 175.680 176.117 -0.025 0.000 1.048 205 I CA -0.557 60.729 61.300 -0.024 0.000 1.062 205 I CB 2.029 40.001 38.000 -0.046 0.000 1.238 205 I HN 0.698 nan 8.210 nan 0.000 0.426 206 N N 2.937 121.607 118.700 -0.050 0.000 2.761 206 N HA 0.522 5.262 4.740 -0.000 0.000 0.283 206 N C -0.252 175.104 175.510 -0.256 0.000 1.377 206 N CA -0.834 52.148 53.050 -0.114 0.000 0.791 206 N CB 1.167 39.632 38.487 -0.037 0.000 1.540 206 N HN 0.560 nan 8.380 nan 0.000 0.539 207 R N 0.086 120.344 120.500 -0.403 0.000 2.504 207 R HA 0.394 4.734 4.340 -0.000 0.000 0.291 207 R C 1.197 177.232 176.300 -0.442 0.000 0.974 207 R CA 0.926 56.804 56.100 -0.370 0.000 1.077 207 R CB -1.498 28.590 30.300 -0.353 0.000 0.926 207 R HN 0.925 nan 8.270 nan 0.000 0.407 208 G N 1.411 110.087 108.800 -0.207 0.000 2.436 208 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.204 208 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.204 208 G C 1.239 176.092 174.900 -0.079 0.000 1.026 208 G CA 0.506 45.519 45.100 -0.144 0.000 0.658 208 G HN 0.692 nan 8.290 nan 0.000 0.499 209 N N 1.646 120.297 118.700 -0.082 0.000 2.443 209 N HA 0.349 5.089 4.740 -0.000 0.000 0.184 209 N C 1.380 176.885 175.510 -0.008 0.000 1.037 209 N CA 0.721 53.750 53.050 -0.035 0.000 0.896 209 N CB -0.042 38.426 38.487 -0.033 0.000 0.959 209 N HN 0.883 nan 8.380 nan 0.000 0.442 210 A N 0.044 122.865 122.820 0.003 0.000 2.540 210 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 210 A C 1.569 179.144 177.584 -0.014 0.000 1.061 210 A CA 0.616 52.672 52.037 0.032 0.000 0.758 210 A CB -0.479 18.574 19.000 0.088 0.000 0.991 210 A HN 0.448 nan 8.150 nan 0.000 0.502 211 G N 1.505 110.306 108.800 0.001 0.000 2.212 211 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.266 211 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.266 211 G C 1.016 175.921 174.900 0.009 0.000 0.978 211 G CA 0.742 45.837 45.100 -0.008 0.000 0.632 211 G HN 1.971 nan 8.290 nan 0.000 0.537 212 G N -0.143 108.665 108.800 0.013 0.000 2.651 212 G HA2 0.685 4.644 3.960 -0.000 0.000 0.260 212 G HA3 0.685 4.644 3.960 -0.000 0.000 0.260 212 G C 0.349 175.263 174.900 0.024 0.000 1.216 212 G CA 0.474 45.583 45.100 0.016 0.000 0.913 212 G HN 1.547 nan 8.290 nan 0.000 0.535 213 A N -0.745 122.089 122.820 0.023 0.000 2.301 213 A HA 0.628 4.947 4.320 -0.000 0.000 0.312 213 A C -0.780 176.821 177.584 0.028 0.000 1.182 213 A CA -0.461 51.592 52.037 0.027 0.000 0.826 213 A CB 1.342 20.356 19.000 0.023 0.000 1.134 213 A HN 0.820 nan 8.150 nan 0.000 0.501 214 L N 3.960 125.203 121.223 0.034 0.000 2.319 214 L HA 0.676 5.016 4.340 -0.000 0.000 0.281 214 L C -0.307 176.584 176.870 0.035 0.000 1.005 214 L CA -0.338 54.522 54.840 0.034 0.000 0.828 214 L CB 1.597 43.680 42.059 0.040 0.000 1.227 214 L HN 0.785 nan 8.230 nan 0.000 0.415 215 V N 2.334 122.268 119.914 0.034 0.000 3.074 215 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 215 V C -0.387 175.732 176.094 0.041 0.000 1.117 215 V CA -0.753 61.567 62.300 0.034 0.000 1.014 215 V CB 1.843 33.683 31.823 0.028 0.000 1.057 215 V HN 0.899 nan 8.190 nan 0.000 0.438 216 N N 1.716 120.441 118.700 0.042 0.000 2.418 216 N HA 0.348 5.088 4.740 -0.000 0.000 0.283 216 N C 0.670 176.208 175.510 0.048 0.000 1.267 216 N CA -0.700 52.382 53.050 0.053 0.000 0.975 216 N CB 0.240 38.757 38.487 0.049 0.000 1.167 216 N HN 0.706 nan 8.380 nan 0.000 0.581 217 L N -1.167 120.090 121.223 0.056 0.000 2.450 217 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 217 L C 0.802 177.684 176.870 0.020 0.000 1.149 217 L CA 0.806 55.666 54.840 0.033 0.000 0.816 217 L CB -0.573 41.503 42.059 0.028 0.000 0.932 217 L HN 0.505 nan 8.230 nan 0.000 0.449 218 N N 0.134 118.848 118.700 0.024 0.000 2.336 218 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 218 N C 1.343 176.863 175.510 0.016 0.000 1.113 218 N CA 0.871 53.932 53.050 0.017 0.000 0.858 218 N CB 0.810 39.308 38.487 0.018 0.000 0.970 218 N HN 0.316 nan 8.380 nan 0.000 0.471 219 G N 0.847 109.658 108.800 0.018 0.000 2.143 219 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.248 219 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.248 219 G C -0.285 174.625 174.900 0.018 0.000 0.991 219 G CA -0.079 45.031 45.100 0.017 0.000 0.689 219 G HN 0.407 nan 8.290 nan 0.000 0.522 220 E N -0.441 119.771 120.200 0.020 0.000 2.227 220 E HA 0.500 4.850 4.350 -0.000 0.000 0.282 220 E C 0.207 176.821 176.600 0.023 0.000 1.015 220 E CA -1.015 55.397 56.400 0.020 0.000 0.823 220 E CB 1.693 31.404 29.700 0.019 0.000 1.081 220 E HN 0.195 nan 8.360 nan 0.000 0.396 221 L N 5.252 126.488 121.223 0.022 0.000 2.477 221 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 221 L C 0.510 177.396 176.870 0.028 0.000 1.157 221 L CA 0.766 55.621 54.840 0.025 0.000 0.889 221 L CB 0.185 42.258 42.059 0.023 0.000 1.158 221 L HN 0.674 nan 8.230 nan 0.000 0.473 222 I N 1.587 122.177 120.570 0.034 0.000 3.939 222 I HA 0.581 4.751 4.170 -0.000 0.000 0.313 222 I C 0.742 176.886 176.117 0.046 0.000 1.274 222 I CA 0.338 61.660 61.300 0.037 0.000 1.301 222 I CB 0.209 38.232 38.000 0.038 0.000 1.105 222 I HN 0.609 nan 8.210 nan 0.000 0.427 223 G N 1.496 110.327 108.800 0.052 0.000 2.576 223 G HA2 0.521 4.481 3.960 -0.000 0.000 0.290 223 G HA3 0.521 4.481 3.960 -0.000 0.000 0.290 223 G C -1.677 173.265 174.900 0.071 0.000 1.442 223 G CA -0.478 44.664 45.100 0.070 0.000 0.792 223 G HN -0.009 nan 8.290 nan 0.000 0.491 224 I N 2.123 122.748 120.570 0.092 0.000 2.390 224 I HA 0.245 4.415 4.170 -0.000 0.000 0.283 224 I C -0.460 175.723 176.117 0.110 0.000 1.016 224 I CA -1.277 60.074 61.300 0.086 0.000 1.151 224 I CB 0.953 39.001 38.000 0.080 0.000 1.293 224 I HN 0.326 nan 8.210 nan 0.000 0.458 225 N N 5.038 123.785 118.700 0.078 0.000 2.365 225 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 225 N C 0.854 176.421 175.510 0.095 0.000 1.288 225 N CA 0.414 53.505 53.050 0.068 0.000 0.869 225 N CB 0.959 39.465 38.487 0.032 0.000 1.071 225 N HN 0.551 nan 8.380 nan 0.000 0.480 226 T N -0.136 114.479 114.554 0.102 0.000 3.174 226 T HA 0.384 4.734 4.350 -0.000 0.000 0.252 226 T C 0.377 175.122 174.700 0.075 0.000 0.984 226 T CA 0.350 62.545 62.100 0.159 0.000 1.113 226 T CB 0.394 69.410 68.868 0.246 0.000 1.088 226 T HN 0.625 nan 8.240 nan 0.000 0.442 227 A N 1.192 123.985 122.820 -0.044 0.000 2.566 227 A HA 0.858 5.177 4.320 -0.000 0.000 0.292 227 A C -1.583 176.038 177.584 0.063 0.000 1.112 227 A CA -0.983 51.029 52.037 -0.042 0.000 0.707 227 A CB 1.077 19.996 19.000 -0.135 0.000 1.302 227 A HN 0.535 nan 8.150 nan 0.000 0.409 228 I N -1.589 119.015 120.570 0.058 0.000 2.934 228 I HA 0.800 4.970 4.170 -0.000 0.000 0.306 228 I C -1.384 174.801 176.117 0.113 0.000 1.110 228 I CA -1.153 60.172 61.300 0.042 0.000 1.019 228 I CB 2.016 39.997 38.000 -0.033 0.000 1.227 228 I HN 0.522 nan 8.210 nan 0.000 0.434 229 L N 4.564 125.854 121.223 0.111 0.000 2.287 229 L HA 0.811 5.151 4.340 -0.000 0.000 0.280 229 L C -0.523 176.372 176.870 0.042 0.000 1.055 229 L CA -0.224 54.687 54.840 0.118 0.000 0.863 229 L CB 0.277 42.448 42.059 0.185 0.000 1.245 229 L HN 0.823 nan 8.230 nan 0.000 0.432 230 A N 5.543 128.382 122.820 0.032 0.000 2.414 230 A HA 0.741 5.060 4.320 -0.000 0.000 0.286 230 A C -2.136 175.461 177.584 0.021 0.000 1.073 230 A CA -0.841 51.209 52.037 0.022 0.000 0.727 230 A CB 1.052 20.064 19.000 0.021 0.000 1.215 230 A HN 0.611 nan 8.150 nan 0.000 0.430 231 P HA -0.010 nan 4.420 nan 0.000 0.229 231 P C 0.330 177.641 177.300 0.018 0.000 1.160 231 P CA 1.282 64.392 63.100 0.017 0.000 0.777 231 P CB 0.347 32.056 31.700 0.014 0.000 0.814 232 D N -3.002 117.411 120.400 0.023 0.000 2.503 232 D HA 0.145 4.785 4.640 -0.000 0.000 0.218 232 D C 1.180 177.504 176.300 0.041 0.000 1.183 232 D CA 0.296 54.312 54.000 0.027 0.000 0.827 232 D CB -0.240 40.575 40.800 0.025 0.000 1.034 232 D HN 0.130 nan 8.370 nan 0.000 0.510 233 G N 0.032 108.857 108.800 0.043 0.000 2.148 233 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.254 233 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.254 233 G C 0.497 175.454 174.900 0.095 0.000 0.981 233 G CA 0.017 45.153 45.100 0.060 0.000 0.670 233 G HN 0.826 nan 8.290 nan 0.000 0.528 234 G N -0.544 108.303 108.800 0.079 0.000 2.566 234 G HA2 0.568 4.527 3.960 -0.000 0.000 0.311 234 G HA3 0.568 4.527 3.960 -0.000 0.000 0.311 234 G C -0.322 174.613 174.900 0.058 0.000 1.322 234 G CA -0.012 45.147 45.100 0.099 0.000 0.969 234 G HN 0.660 nan 8.290 nan 0.000 0.490 235 N N 0.325 119.060 118.700 0.058 0.000 2.294 235 N HA 0.051 4.791 4.740 -0.000 0.000 0.248 235 N C 1.036 176.551 175.510 0.008 0.000 1.242 235 N CA 0.470 53.531 53.050 0.018 0.000 0.848 235 N CB 0.264 38.761 38.487 0.016 0.000 1.084 235 N HN 0.533 nan 8.380 nan 0.000 0.457 236 I N -0.302 120.260 120.570 -0.013 0.000 3.621 236 I HA 0.493 4.663 4.170 -0.000 0.000 0.325 236 I C 0.804 176.901 176.117 -0.033 0.000 1.554 236 I CA -0.369 60.922 61.300 -0.014 0.000 1.053 236 I CB 0.194 38.190 38.000 -0.007 0.000 1.302 236 I HN 0.689 nan 8.210 nan 0.000 0.518 237 G N 2.227 110.997 108.800 -0.050 0.000 2.141 237 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.231 237 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.231 237 G C -0.171 174.657 174.900 -0.120 0.000 0.984 237 G CA 0.154 45.214 45.100 -0.068 0.000 0.660 237 G HN 0.477 nan 8.290 nan 0.000 0.525 238 I N 1.252 121.724 120.570 -0.164 0.000 2.466 238 I HA 0.571 4.741 4.170 -0.000 0.000 0.279 238 I C 0.602 176.429 176.117 -0.483 0.000 1.033 238 I CA -0.428 60.686 61.300 -0.310 0.000 1.123 238 I CB 1.494 39.359 38.000 -0.225 0.000 1.237 238 I HN 0.185 nan 8.210 nan 0.000 0.460 239 G N 5.024 113.473 108.800 -0.585 0.000 2.481 239 G HA2 0.804 4.764 3.960 -0.000 0.000 0.315 239 G HA3 0.804 4.764 3.960 -0.000 0.000 0.315 239 G C -1.370 173.051 174.900 -0.797 0.000 1.231 239 G CA -0.398 44.366 45.100 -0.559 0.000 0.968 239 G HN 0.290 nan 8.290 nan 0.000 0.482 240 F N 0.253 120.080 119.950 -0.206 0.000 2.540 240 F HA 0.732 5.259 4.527 -0.000 0.000 0.317 240 F C 0.403 176.086 175.800 -0.194 0.000 1.104 240 F CA -0.772 57.045 58.000 -0.305 0.000 0.913 240 F CB 2.872 41.369 39.000 -0.840 0.000 1.170 240 F HN 0.672 nan 8.300 nan 0.000 0.450 241 A N 3.239 126.186 122.820 0.211 0.000 2.422 241 A HA 0.767 5.087 4.320 -0.000 0.000 0.302 241 A C -0.856 176.973 177.584 0.408 0.000 1.041 241 A CA -0.725 51.462 52.037 0.249 0.000 0.708 241 A CB 0.923 20.005 19.000 0.136 0.000 1.257 241 A HN 0.744 nan 8.150 nan 0.000 0.414 242 I N 2.972 123.761 120.570 0.365 0.000 2.517 242 I HA 0.164 4.333 4.170 -0.000 0.000 0.285 242 I C -2.029 174.170 176.117 0.136 0.000 1.106 242 I CA -1.462 59.984 61.300 0.243 0.000 1.402 242 I CB 0.812 38.915 38.000 0.171 0.000 1.399 242 I HN 0.380 nan 8.210 nan 0.000 0.535 243 P HA -0.059 nan 4.420 nan 0.000 0.266 243 P C 0.707 178.032 177.300 0.041 0.000 1.186 243 P CA 0.142 63.279 63.100 0.062 0.000 0.767 243 P CB 0.557 32.278 31.700 0.035 0.000 0.820 244 S N 2.110 117.831 115.700 0.036 0.000 2.359 244 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 244 S C 1.523 176.129 174.600 0.011 0.000 1.035 244 S CA 1.629 59.844 58.200 0.025 0.000 1.018 244 S CB -1.243 61.971 63.200 0.023 0.000 0.876 244 S HN 0.352 nan 8.310 nan 0.000 0.448 245 N N 2.082 120.786 118.700 0.006 0.000 2.094 245 N HA -0.044 4.696 4.740 -0.000 0.000 0.191 245 N C 1.732 177.233 175.510 -0.015 0.000 1.023 245 N CA 1.854 54.901 53.050 -0.005 0.000 0.857 245 N CB -0.633 37.850 38.487 -0.007 0.000 1.013 245 N HN 0.506 nan 8.380 nan 0.000 0.426 246 M N -0.243 119.348 119.600 -0.016 0.000 2.229 246 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 246 M C 1.758 178.043 176.300 -0.025 0.000 1.063 246 M CA 0.849 56.130 55.300 -0.031 0.000 1.114 246 M CB -0.008 32.571 32.600 -0.035 0.000 1.387 246 M HN -0.042 nan 8.290 nan 0.000 0.420 247 V N 0.198 120.107 119.914 -0.008 0.000 2.379 247 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 247 V C 2.280 178.363 176.094 -0.019 0.000 1.044 247 V CA 1.607 63.903 62.300 -0.006 0.000 1.036 247 V CB -0.726 31.102 31.823 0.009 0.000 0.664 247 V HN 0.446 nan 8.190 nan 0.000 0.453 248 K N 0.458 120.849 120.400 -0.016 0.000 2.020 248 K HA -0.254 4.065 4.320 -0.000 0.000 0.212 248 K C 2.093 178.674 176.600 -0.031 0.000 1.050 248 K CA 2.116 58.390 56.287 -0.022 0.000 0.929 248 K CB -0.171 32.320 32.500 -0.015 0.000 0.714 248 K HN 0.434 nan 8.250 nan 0.000 0.443 249 N N 0.731 119.412 118.700 -0.032 0.000 2.106 249 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 249 N C 1.894 177.381 175.510 -0.039 0.000 1.029 249 N CA 1.109 54.136 53.050 -0.037 0.000 0.848 249 N CB -0.279 38.181 38.487 -0.046 0.000 1.007 249 N HN 0.183 nan 8.380 nan 0.000 0.423 250 L N 0.647 121.843 121.223 -0.045 0.000 2.056 250 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 250 L C 2.501 179.344 176.870 -0.045 0.000 1.078 250 L CA 1.522 56.335 54.840 -0.044 0.000 0.749 250 L CB -0.989 41.044 42.059 -0.043 0.000 0.901 250 L HN 0.327 nan 8.230 nan 0.000 0.433 251 T N -2.804 111.716 114.554 -0.057 0.000 2.701 251 T HA -0.190 4.160 4.350 -0.000 0.000 0.263 251 T C 2.078 176.701 174.700 -0.127 0.000 1.040 251 T CA 1.347 63.390 62.100 -0.094 0.000 1.147 251 T CB -0.829 67.982 68.868 -0.094 0.000 0.865 251 T HN 0.428 nan 8.240 nan 0.000 0.426 252 S N 2.001 117.640 115.700 -0.102 0.000 2.420 252 S HA -0.284 4.186 4.470 -0.000 0.000 0.237 252 S C 2.190 176.718 174.600 -0.121 0.000 1.023 252 S CA 1.367 59.499 58.200 -0.114 0.000 0.991 252 S CB -0.805 62.352 63.200 -0.071 0.000 0.792 252 S HN 0.705 nan 8.310 nan 0.000 0.488 253 Q N 0.769 120.540 119.800 -0.048 0.000 2.020 253 Q HA 0.093 4.433 4.340 -0.000 0.000 0.198 253 Q C 2.451 178.446 176.000 -0.008 0.000 0.974 253 Q CA 1.514 57.349 55.803 0.053 0.000 0.829 253 Q CB -0.366 28.470 28.738 0.163 0.000 0.894 253 Q HN 0.599 nan 8.270 nan 0.000 0.433 254 M N 0.341 119.919 119.600 -0.036 0.000 2.195 254 M HA -0.179 4.300 4.480 -0.000 0.000 0.260 254 M C 2.215 178.428 176.300 -0.145 0.000 1.066 254 M CA 1.066 56.331 55.300 -0.059 0.000 1.089 254 M CB -0.395 32.160 32.600 -0.075 0.000 1.377 254 M HN 0.053 nan 8.290 nan 0.000 0.411 255 V N 0.402 120.167 119.914 -0.248 0.000 2.343 255 V HA -0.235 3.884 4.120 -0.000 0.000 0.247 255 V C 2.069 178.020 176.094 -0.239 0.000 1.051 255 V CA 1.950 64.052 62.300 -0.330 0.000 1.036 255 V CB -0.669 30.906 31.823 -0.414 0.000 0.654 255 V HN 0.496 nan 8.190 nan 0.000 0.451 256 E N -1.289 118.710 120.200 -0.335 0.000 2.122 256 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 256 E C 1.866 178.155 176.600 -0.519 0.000 0.977 256 E CA 1.255 57.338 56.400 -0.527 0.000 0.820 256 E CB 0.017 29.176 29.700 -0.902 0.000 0.770 256 E HN 0.756 nan 8.360 nan 0.000 0.462 257 Y N -1.529 118.747 120.300 -0.040 0.000 2.483 257 Y HA 0.331 4.881 4.550 -0.000 0.000 0.258 257 Y C 1.667 177.552 175.900 -0.025 0.000 1.083 257 Y CA 0.258 58.341 58.100 -0.029 0.000 1.283 257 Y CB 0.959 39.400 38.460 -0.031 0.000 1.178 257 Y HN 0.107 nan 8.280 nan 0.000 0.515 258 G N 0.539 109.388 108.800 0.081 0.000 2.199 258 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 258 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 258 G C 0.151 175.084 174.900 0.056 0.000 0.982 258 G CA 0.516 45.645 45.100 0.048 0.000 0.632 258 G HN 0.516 nan 8.290 nan 0.000 0.529 259 Q N -1.691 118.166 119.800 0.095 0.000 2.832 259 Q HA 0.692 5.032 4.340 -0.000 0.000 0.331 259 Q C -0.676 175.369 176.000 0.074 0.000 0.833 259 Q CA -0.594 55.245 55.803 0.059 0.000 0.794 259 Q CB 1.727 30.484 28.738 0.033 0.000 1.387 259 Q HN 1.155 nan 8.270 nan 0.000 0.508 260 V N -1.190 118.732 119.914 0.014 0.000 2.370 260 V HA 0.542 4.662 4.120 -0.000 0.000 0.283 260 V C -0.686 175.358 176.094 -0.083 0.000 1.023 260 V CA -0.852 61.438 62.300 -0.017 0.000 0.857 260 V CB 0.952 32.750 31.823 -0.041 0.000 0.985 260 V HN 0.663 nan 8.190 nan 0.000 0.443 261 K N 3.863 124.168 120.400 -0.157 0.000 2.278 261 K HA 0.327 4.647 4.320 -0.000 0.000 0.289 261 K C 0.005 176.520 176.600 -0.141 0.000 1.080 261 K CA -0.211 55.955 56.287 -0.201 0.000 0.934 261 K CB 0.519 32.809 32.500 -0.350 0.000 1.093 261 K HN 0.677 nan 8.250 nan 0.000 0.459 262 R N 1.762 122.195 120.500 -0.112 0.000 2.234 262 R HA 0.193 4.532 4.340 -0.000 0.000 0.324 262 R C -0.294 175.955 176.300 -0.086 0.000 1.054 262 R CA -0.025 56.011 56.100 -0.107 0.000 0.912 262 R CB 0.887 31.139 30.300 -0.080 0.000 1.030 262 R HN 0.683 nan 8.270 nan 0.000 0.455 263 G N 3.463 112.208 108.800 -0.092 0.000 2.379 263 G HA2 0.399 4.359 3.960 -0.000 0.000 0.327 263 G HA3 0.399 4.359 3.960 -0.000 0.000 0.327 263 G C -1.114 173.753 174.900 -0.055 0.000 1.145 263 G CA -0.625 44.434 45.100 -0.068 0.000 0.905 263 G HN 0.723 nan 8.290 nan 0.000 0.466 264 E N 1.313 121.494 120.200 -0.032 0.000 2.299 264 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 264 E C -0.253 176.335 176.600 -0.019 0.000 0.911 264 E CA -0.972 55.418 56.400 -0.016 0.000 0.789 264 E CB 1.733 31.438 29.700 0.009 0.000 1.246 264 E HN 0.170 nan 8.360 nan 0.000 0.427 265 L N 1.425 122.637 121.223 -0.018 0.000 2.341 265 L HA 0.230 4.570 4.340 -0.000 0.000 0.214 265 L C 1.365 178.230 176.870 -0.008 0.000 1.115 265 L CA 1.372 56.201 54.840 -0.019 0.000 0.820 265 L CB -0.441 41.603 42.059 -0.025 0.000 0.944 265 L HN 1.019 nan 8.230 nan 0.000 0.452 266 G N 1.077 109.878 108.800 0.002 0.000 2.326 266 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.286 266 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.286 266 G C -0.102 174.805 174.900 0.013 0.000 1.096 266 G CA 0.418 45.523 45.100 0.008 0.000 1.003 266 G HN 0.410 nan 8.290 nan 0.000 0.503 267 I N -2.553 118.035 120.570 0.031 0.000 2.647 267 I HA 0.893 5.062 4.170 -0.000 0.000 0.295 267 I C -0.077 176.096 176.117 0.093 0.000 1.078 267 I CA -1.896 59.430 61.300 0.042 0.000 1.048 267 I CB 1.647 39.670 38.000 0.038 0.000 1.239 267 I HN -0.017 nan 8.210 nan 0.000 0.421 268 M N 4.186 123.821 119.600 0.059 0.000 2.409 268 M HA 0.891 5.370 4.480 -0.000 0.000 0.329 268 M C 0.362 176.675 176.300 0.021 0.000 1.180 268 M CA -0.322 55.014 55.300 0.060 0.000 1.053 268 M CB 0.851 33.453 32.600 0.004 0.000 1.586 268 M HN 1.073 nan 8.290 nan 0.000 0.461 269 G N 0.132 108.866 108.800 -0.110 0.000 2.428 269 G HA2 0.548 4.507 3.960 -0.000 0.000 0.304 269 G HA3 0.548 4.507 3.960 -0.000 0.000 0.304 269 G C -1.667 172.695 174.900 -0.897 0.000 1.303 269 G CA -0.253 44.616 45.100 -0.385 0.000 0.825 269 G HN 0.809 nan 8.290 nan 0.000 0.484 270 T N -0.909 113.134 114.554 -0.851 0.000 2.718 270 T HA 0.481 4.831 4.350 -0.000 0.000 0.306 270 T C -1.597 172.917 174.700 -0.309 0.000 1.485 270 T CA -0.529 61.161 62.100 -0.683 0.000 0.997 270 T CB 1.633 70.344 68.868 -0.262 0.000 1.504 270 T HN 0.468 nan 8.240 nan 0.000 0.497 271 E N 1.751 121.869 120.200 -0.137 0.000 2.415 271 E HA 0.157 4.507 4.350 -0.000 0.000 0.263 271 E C -0.284 176.321 176.600 0.009 0.000 0.995 271 E CA -0.285 56.126 56.400 0.018 0.000 0.915 271 E CB 0.646 30.359 29.700 0.022 0.000 0.951 271 E HN 0.438 nan 8.360 nan 0.000 0.449 272 L N 5.043 126.300 121.223 0.056 0.000 2.334 272 L HA 0.108 4.447 4.340 -0.000 0.000 0.286 272 L C -0.304 176.560 176.870 -0.010 0.000 1.108 272 L CA -0.434 54.414 54.840 0.012 0.000 0.875 272 L CB -0.534 41.568 42.059 0.072 0.000 1.246 272 L HN 0.335 nan 8.230 nan 0.000 0.439 273 N N 1.404 120.076 118.700 -0.047 0.000 2.447 273 N HA 0.224 4.964 4.740 -0.000 0.000 0.271 273 N C 0.817 176.298 175.510 -0.047 0.000 1.226 273 N CA -0.100 52.928 53.050 -0.037 0.000 0.980 273 N CB 0.544 39.006 38.487 -0.041 0.000 1.206 273 N HN 0.333 nan 8.380 nan 0.000 0.558 274 S N -0.735 114.945 115.700 -0.034 0.000 2.382 274 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 274 S C 1.165 175.736 174.600 -0.048 0.000 1.027 274 S CA 1.257 59.437 58.200 -0.033 0.000 0.991 274 S CB -0.485 62.702 63.200 -0.021 0.000 0.823 274 S HN 0.600 nan 8.310 nan 0.000 0.469 275 E N 0.632 120.799 120.200 -0.054 0.000 2.023 275 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 275 E C 2.146 178.691 176.600 -0.092 0.000 1.003 275 E CA 1.506 57.869 56.400 -0.063 0.000 0.809 275 E CB -0.416 29.248 29.700 -0.060 0.000 0.755 275 E HN 0.475 nan 8.360 nan 0.000 0.449 276 L N 0.485 121.630 121.223 -0.129 0.000 2.191 276 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 276 L C 2.275 179.026 176.870 -0.199 0.000 1.103 276 L CA 0.883 55.597 54.840 -0.210 0.000 0.769 276 L CB -0.140 41.734 42.059 -0.308 0.000 0.908 276 L HN 0.111 nan 8.230 nan 0.000 0.438 277 A N -0.123 122.621 122.820 -0.126 0.000 1.898 277 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 277 A C 2.246 179.792 177.584 -0.063 0.000 1.181 277 A CA 1.600 53.588 52.037 -0.082 0.000 0.620 277 A CB -0.293 18.680 19.000 -0.045 0.000 0.819 277 A HN 0.411 nan 8.150 nan 0.000 0.442 278 K N -0.149 120.216 120.400 -0.059 0.000 2.057 278 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 278 K C 2.294 178.866 176.600 -0.047 0.000 1.049 278 K CA 1.245 57.506 56.287 -0.044 0.000 0.931 278 K CB -0.328 32.148 32.500 -0.040 0.000 0.714 278 K HN 0.433 nan 8.250 nan 0.000 0.440 279 A N 0.905 123.684 122.820 -0.068 0.000 1.898 279 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 279 A C 1.889 179.441 177.584 -0.054 0.000 1.181 279 A CA 1.251 53.250 52.037 -0.065 0.000 0.620 279 A CB -0.177 18.770 19.000 -0.088 0.000 0.819 279 A HN 0.136 nan 8.150 nan 0.000 0.442 280 M N -0.370 119.187 119.600 -0.072 0.000 2.563 280 M HA 0.100 4.579 4.480 -0.000 0.000 0.231 280 M C -0.201 176.100 176.300 0.001 0.000 1.136 280 M CA 0.353 55.636 55.300 -0.028 0.000 1.026 280 M CB -0.505 32.071 32.600 -0.040 0.000 1.597 280 M HN 0.260 nan 8.290 nan 0.000 0.495 281 K N 0.296 120.689 120.400 -0.011 0.000 3.148 281 K HA -0.128 4.192 4.320 -0.000 0.000 0.267 281 K C -0.667 175.938 176.600 0.008 0.000 0.996 281 K CA 0.229 56.515 56.287 -0.001 0.000 0.737 281 K CB -2.676 29.828 32.500 0.006 0.000 1.308 281 K HN 0.225 nan 8.250 nan 0.000 0.470 282 V N 0.214 120.130 119.914 0.004 0.000 2.630 282 V HA 0.187 4.307 4.120 -0.000 0.000 0.305 282 V C 1.577 177.677 176.094 0.010 0.000 1.046 282 V CA -0.659 61.651 62.300 0.017 0.000 0.934 282 V CB 1.987 33.827 31.823 0.029 0.000 1.003 282 V HN 0.104 nan 8.190 nan 0.000 0.451 283 D N 1.935 122.345 120.400 0.016 0.000 2.106 283 D HA 0.067 4.707 4.640 -0.000 0.000 0.203 283 D C 1.124 177.432 176.300 0.013 0.000 0.977 283 D CA 1.304 55.312 54.000 0.013 0.000 0.844 283 D CB -0.028 40.781 40.800 0.015 0.000 1.002 283 D HN 0.713 nan 8.370 nan 0.000 0.461 284 A N 0.796 123.629 122.820 0.021 0.000 2.520 284 A HA 0.007 4.327 4.320 -0.000 0.000 0.245 284 A C 0.746 178.341 177.584 0.018 0.000 1.072 284 A CA 0.181 52.233 52.037 0.023 0.000 0.761 284 A CB 0.366 19.386 19.000 0.035 0.000 1.004 284 A HN 0.026 nan 8.150 nan 0.000 0.499 285 Q N 0.234 120.043 119.800 0.014 0.000 2.365 285 Q HA 0.223 4.563 4.340 -0.000 0.000 0.203 285 Q C 0.385 176.394 176.000 0.015 0.000 0.929 285 Q CA 0.776 56.583 55.803 0.007 0.000 0.948 285 Q CB 0.070 28.810 28.738 0.004 0.000 1.043 285 Q HN 0.687 nan 8.270 nan 0.000 0.505 286 R N -1.851 118.666 120.500 0.029 0.000 2.629 286 R HA 0.659 4.999 4.340 -0.000 0.000 0.266 286 R C -0.984 175.354 176.300 0.062 0.000 1.051 286 R CA 0.048 56.174 56.100 0.043 0.000 0.895 286 R CB 1.466 31.788 30.300 0.038 0.000 1.246 286 R HN 0.175 nan 8.270 nan 0.000 0.459 287 G N 0.676 109.529 108.800 0.088 0.000 2.362 287 G HA2 0.365 4.325 3.960 -0.000 0.000 0.288 287 G HA3 0.365 4.325 3.960 -0.000 0.000 0.288 287 G C -1.870 173.140 174.900 0.182 0.000 1.305 287 G CA -0.376 44.791 45.100 0.113 0.000 0.910 287 G HN 0.679 nan 8.290 nan 0.000 0.518 288 A N -0.297 122.652 122.820 0.216 0.000 2.249 288 A HA 0.710 5.029 4.320 -0.000 0.000 0.314 288 A C -0.763 177.016 177.584 0.324 0.000 1.290 288 A CA -0.387 51.876 52.037 0.377 0.000 0.893 288 A CB 0.344 19.555 19.000 0.352 0.000 1.165 288 A HN 1.668 nan 8.150 nan 0.000 0.530 289 F N 4.034 124.058 119.950 0.123 0.000 2.411 289 F HA 0.475 5.002 4.527 -0.000 0.000 0.355 289 F C -0.082 175.735 175.800 0.028 0.000 1.117 289 F CA -0.454 57.568 58.000 0.036 0.000 1.139 289 F CB 1.187 40.170 39.000 -0.028 0.000 1.120 289 F HN 0.300 nan 8.300 nan 0.000 0.493 290 V N 6.978 126.515 119.914 -0.628 0.000 2.387 290 V HA 0.009 4.129 4.120 -0.000 0.000 0.260 290 V C 0.919 176.583 176.094 -0.716 0.000 1.054 290 V CA 0.418 62.439 62.300 -0.465 0.000 0.967 290 V CB 0.494 32.150 31.823 -0.278 0.000 1.036 290 V HN 1.000 nan 8.190 nan 0.000 0.481 291 S N 4.229 119.695 115.700 -0.390 0.000 2.387 291 S HA -0.026 4.443 4.470 -0.000 0.000 0.226 291 S C 0.628 175.137 174.600 -0.151 0.000 1.026 291 S CA 1.278 59.345 58.200 -0.222 0.000 0.972 291 S CB 0.068 63.225 63.200 -0.071 0.000 0.814 291 S HN 0.954 nan 8.310 nan 0.000 0.477 292 Q N -0.481 119.247 119.800 -0.120 0.000 2.666 292 Q HA 0.504 4.844 4.340 -0.000 0.000 0.276 292 Q C -1.292 174.678 176.000 -0.051 0.000 0.952 292 Q CA -1.043 54.716 55.803 -0.075 0.000 0.850 292 Q CB 1.549 30.262 28.738 -0.042 0.000 1.512 292 Q HN 0.157 nan 8.270 nan 0.000 0.395 293 V N -0.487 119.403 119.914 -0.041 0.000 2.513 293 V HA 0.671 4.790 4.120 -0.000 0.000 0.299 293 V C -0.341 175.743 176.094 -0.017 0.000 1.035 293 V CA -0.950 61.335 62.300 -0.025 0.000 0.889 293 V CB 1.149 32.956 31.823 -0.028 0.000 0.988 293 V HN 0.795 nan 8.190 nan 0.000 0.440 294 L N 4.878 126.096 121.223 -0.009 0.000 2.397 294 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 294 L C -2.117 174.748 176.870 -0.009 0.000 1.148 294 L CA -1.520 53.316 54.840 -0.007 0.000 0.825 294 L CB 0.727 42.785 42.059 -0.002 0.000 1.117 294 L HN 0.446 nan 8.230 nan 0.000 0.456 295 P HA 0.112 nan 4.420 nan 0.000 0.271 295 P C -0.347 176.948 177.300 -0.008 0.000 1.216 295 P CA -0.021 63.074 63.100 -0.009 0.000 0.776 295 P CB 0.389 32.084 31.700 -0.008 0.000 0.881 296 N N -1.525 117.170 118.700 -0.009 0.000 2.782 296 N HA -0.131 4.609 4.740 -0.000 0.000 0.251 296 N C -0.330 175.174 175.510 -0.010 0.000 1.101 296 N CA 1.257 54.301 53.050 -0.009 0.000 0.764 296 N CB -1.926 36.555 38.487 -0.009 0.000 1.122 296 N HN 0.594 nan 8.380 nan 0.000 0.561 297 S N -1.651 114.043 115.700 -0.010 0.000 2.608 297 S HA 0.597 5.066 4.470 -0.000 0.000 0.291 297 S C 1.605 176.197 174.600 -0.013 0.000 1.146 297 S CA 0.114 58.307 58.200 -0.011 0.000 1.043 297 S CB 2.174 65.368 63.200 -0.009 0.000 1.037 297 S HN 0.258 nan 8.310 nan 0.000 0.520 298 S N 2.461 118.152 115.700 -0.015 0.000 2.372 298 S HA -0.222 4.248 4.470 -0.000 0.000 0.227 298 S C 2.095 176.685 174.600 -0.016 0.000 1.044 298 S CA 1.209 59.399 58.200 -0.017 0.000 1.050 298 S CB -1.527 61.661 63.200 -0.020 0.000 0.901 298 S HN 1.251 nan 8.310 nan 0.000 0.447 299 A N 2.626 125.436 122.820 -0.016 0.000 1.883 299 A HA 0.146 4.465 4.320 -0.000 0.000 0.217 299 A C 2.628 180.202 177.584 -0.016 0.000 1.186 299 A CA 2.335 54.362 52.037 -0.016 0.000 0.624 299 A CB -1.668 17.322 19.000 -0.016 0.000 0.822 299 A HN 0.978 nan 8.150 nan 0.000 0.444 300 A N 0.098 122.909 122.820 -0.015 0.000 1.883 300 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 300 A C 2.073 179.649 177.584 -0.013 0.000 1.186 300 A CA 2.002 54.030 52.037 -0.015 0.000 0.624 300 A CB -0.565 18.427 19.000 -0.013 0.000 0.822 300 A HN 0.597 nan 8.150 nan 0.000 0.444 301 K N -0.229 120.163 120.400 -0.013 0.000 2.209 301 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 301 K C 2.036 178.629 176.600 -0.012 0.000 1.048 301 K CA 1.017 57.297 56.287 -0.012 0.000 0.940 301 K CB -0.285 32.208 32.500 -0.012 0.000 0.729 301 K HN 0.457 nan 8.250 nan 0.000 0.451 302 A N 0.648 123.460 122.820 -0.013 0.000 2.016 302 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 302 A C 1.534 179.111 177.584 -0.012 0.000 1.162 302 A CA 1.075 53.105 52.037 -0.012 0.000 0.662 302 A CB -0.149 18.843 19.000 -0.014 0.000 0.812 302 A HN 0.408 nan 8.150 nan 0.000 0.450 303 G N -1.135 107.657 108.800 -0.013 0.000 2.141 303 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.164 303 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.164 303 G C -0.073 174.818 174.900 -0.015 0.000 1.009 303 G CA -0.090 45.003 45.100 -0.012 0.000 0.677 303 G HN 0.365 nan 8.290 nan 0.000 0.508 304 I N 1.155 121.714 120.570 -0.018 0.000 2.352 304 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 304 I C 0.653 176.751 176.117 -0.031 0.000 1.036 304 I CA -0.011 61.275 61.300 -0.023 0.000 1.336 304 I CB 0.947 38.932 38.000 -0.024 0.000 1.407 304 I HN -0.030 nan 8.210 nan 0.000 0.497 305 K N 4.779 125.157 120.400 -0.036 0.000 2.156 305 K HA 0.689 5.009 4.320 -0.000 0.000 0.250 305 K C -0.147 176.409 176.600 -0.074 0.000 0.955 305 K CA -0.792 55.469 56.287 -0.043 0.000 0.855 305 K CB 1.987 34.470 32.500 -0.028 0.000 1.101 305 K HN 0.668 nan 8.250 nan 0.000 0.434 306 A N 0.382 123.150 122.820 -0.086 0.000 2.475 306 A HA 0.353 4.673 4.320 -0.000 0.000 0.239 306 A C 1.200 178.688 177.584 -0.160 0.000 1.087 306 A CA 1.045 52.993 52.037 -0.148 0.000 0.779 306 A CB -0.771 18.162 19.000 -0.111 0.000 1.036 306 A HN 0.966 nan 8.150 nan 0.000 0.506 307 G N 0.179 108.787 108.800 -0.320 0.000 2.184 307 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.264 307 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.264 307 G C -0.069 174.781 174.900 -0.082 0.000 0.975 307 G CA 0.679 45.682 45.100 -0.162 0.000 0.642 307 G HN 0.918 nan 8.290 nan 0.000 0.536 308 D N -0.427 119.871 120.400 -0.169 0.000 2.339 308 D HA 0.533 5.173 4.640 -0.000 0.000 0.245 308 D C 0.282 176.566 176.300 -0.026 0.000 1.115 308 D CA -0.039 53.926 54.000 -0.058 0.000 0.917 308 D CB 1.754 42.521 40.800 -0.055 0.000 1.192 308 D HN 0.141 nan 8.370 nan 0.000 0.428 309 V N 2.945 122.901 119.914 0.070 0.000 2.407 309 V HA 0.299 4.418 4.120 -0.000 0.000 0.291 309 V C 0.148 176.289 176.094 0.079 0.000 1.018 309 V CA -0.723 61.652 62.300 0.124 0.000 0.842 309 V CB 1.161 33.086 31.823 0.170 0.000 0.996 309 V HN 0.383 nan 8.190 nan 0.000 0.426 310 I N 4.723 125.341 120.570 0.080 0.000 2.416 310 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 310 I C 1.395 177.546 176.117 0.057 0.000 1.051 310 I CA 0.176 61.508 61.300 0.054 0.000 1.375 310 I CB 1.542 39.567 38.000 0.042 0.000 1.407 310 I HN 0.808 nan 8.210 nan 0.000 0.516 311 T N -0.085 114.491 114.554 0.038 0.000 2.955 311 T HA 0.163 4.513 4.350 -0.000 0.000 0.251 311 T C 0.506 175.219 174.700 0.022 0.000 1.002 311 T CA 0.092 62.213 62.100 0.035 0.000 0.970 311 T CB 0.277 69.165 68.868 0.032 0.000 1.091 311 T HN 0.625 nan 8.240 nan 0.000 0.495 312 S N 0.669 116.377 115.700 0.013 0.000 2.618 312 S HA 0.771 5.241 4.470 -0.000 0.000 0.277 312 S C -1.837 172.761 174.600 -0.005 0.000 1.138 312 S CA -0.973 57.229 58.200 0.005 0.000 0.844 312 S CB 2.216 65.419 63.200 0.005 0.000 1.127 312 S HN 0.395 nan 8.310 nan 0.000 0.474 313 L N 2.136 123.353 121.223 -0.010 0.000 2.446 313 L HA 0.617 4.957 4.340 -0.000 0.000 0.268 313 L C -0.443 176.418 176.870 -0.016 0.000 0.975 313 L CA 0.223 55.053 54.840 -0.018 0.000 0.848 313 L CB 0.572 42.614 42.059 -0.028 0.000 1.225 313 L HN 0.871 nan 8.230 nan 0.000 0.410 314 N N 4.022 122.714 118.700 -0.014 0.000 2.714 314 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 314 N C 0.958 176.463 175.510 -0.008 0.000 1.117 314 N CA 1.611 54.653 53.050 -0.012 0.000 0.719 314 N CB -1.242 37.236 38.487 -0.015 0.000 1.081 314 N HN 1.335 nan 8.380 nan 0.000 0.557 315 G N -1.461 107.336 108.800 -0.006 0.000 2.399 315 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 315 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 315 G C -0.091 174.808 174.900 -0.001 0.000 1.096 315 G CA 0.314 45.412 45.100 -0.002 0.000 0.650 315 G HN 0.288 nan 8.290 nan 0.000 0.512 316 K N 2.550 122.948 120.400 -0.003 0.000 2.416 316 K HA 0.380 4.700 4.320 -0.000 0.000 0.283 316 K C -2.230 174.370 176.600 0.001 0.000 1.037 316 K CA -1.437 54.849 56.287 -0.001 0.000 0.995 316 K CB 0.798 33.295 32.500 -0.003 0.000 0.938 316 K HN 0.228 nan 8.250 nan 0.000 0.475 317 P HA 0.002 nan 4.420 nan 0.000 0.269 317 P C -0.173 177.132 177.300 0.009 0.000 1.211 317 P CA -0.257 62.848 63.100 0.009 0.000 0.781 317 P CB 0.399 32.106 31.700 0.012 0.000 0.877 318 I N 1.178 121.756 120.570 0.014 0.000 2.354 318 I HA 0.139 4.308 4.170 -0.000 0.000 0.292 318 I C 1.282 177.414 176.117 0.026 0.000 0.989 318 I CA 0.228 61.537 61.300 0.015 0.000 1.188 318 I CB 1.108 39.118 38.000 0.017 0.000 1.342 318 I HN 0.345 nan 8.210 nan 0.000 0.457 319 S N 4.065 119.780 115.700 0.024 0.000 2.377 319 S HA 0.137 4.606 4.470 -0.000 0.000 0.223 319 S C 0.615 175.244 174.600 0.048 0.000 1.030 319 S CA 0.670 58.890 58.200 0.034 0.000 0.970 319 S CB -0.446 62.773 63.200 0.032 0.000 0.830 319 S HN 0.811 nan 8.310 nan 0.000 0.473 320 S N -1.104 114.628 115.700 0.053 0.000 2.643 320 S HA 0.558 5.028 4.470 -0.000 0.000 0.270 320 S C -0.010 174.658 174.600 0.114 0.000 1.166 320 S CA -0.566 57.689 58.200 0.092 0.000 0.815 320 S CB 0.172 63.425 63.200 0.087 0.000 1.139 320 S HN 0.130 nan 8.310 nan 0.000 0.472 321 F N 1.623 121.586 119.950 0.021 0.000 2.146 321 F HA 0.161 4.687 4.527 -0.000 0.000 0.298 321 F C 2.505 178.308 175.800 0.006 0.000 1.096 321 F CA 1.910 59.922 58.000 0.020 0.000 1.275 321 F CB -0.711 38.308 39.000 0.031 0.000 1.008 321 F HN 0.812 nan 8.300 nan 0.000 0.480 322 A N 0.433 123.362 122.820 0.181 0.000 1.940 322 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 322 A C 2.389 179.946 177.584 -0.045 0.000 1.176 322 A CA 1.802 53.874 52.037 0.059 0.000 0.631 322 A CB -1.522 17.518 19.000 0.066 0.000 0.814 322 A HN 0.504 nan 8.150 nan 0.000 0.446 323 A N -0.398 122.404 122.820 -0.031 0.000 1.855 323 A HA -0.027 4.292 4.320 -0.000 0.000 0.215 323 A C 2.127 179.662 177.584 -0.082 0.000 1.191 323 A CA 1.696 53.704 52.037 -0.048 0.000 0.613 323 A CB -0.739 18.250 19.000 -0.019 0.000 0.829 323 A HN 0.783 nan 8.150 nan 0.000 0.442 324 L N 0.084 121.233 121.223 -0.123 0.000 2.081 324 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 324 L C 2.437 179.188 176.870 -0.197 0.000 1.080 324 L CA 2.514 57.254 54.840 -0.167 0.000 0.754 324 L CB -0.591 41.334 42.059 -0.224 0.000 0.893 324 L HN 0.494 nan 8.230 nan 0.000 0.433 325 R N -0.683 119.656 120.500 -0.268 0.000 2.081 325 R HA -0.149 4.190 4.340 -0.000 0.000 0.235 325 R C 2.136 178.504 176.300 0.112 0.000 1.131 325 R CA 1.415 57.421 56.100 -0.158 0.000 0.960 325 R CB -0.370 29.802 30.300 -0.214 0.000 0.856 325 R HN 0.511 nan 8.270 nan 0.000 0.436 326 A N 0.811 123.672 122.820 0.068 0.000 1.930 326 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 326 A C 2.028 179.604 177.584 -0.015 0.000 1.175 326 A CA 0.929 53.040 52.037 0.124 0.000 0.627 326 A CB -0.318 18.676 19.000 -0.010 0.000 0.815 326 A HN 0.384 nan 8.150 nan 0.000 0.443 327 Q N 0.011 119.780 119.800 -0.052 0.000 1.927 327 Q HA -0.190 4.150 4.340 -0.000 0.000 0.210 327 Q C 2.394 178.331 176.000 -0.104 0.000 1.001 327 Q CA 2.386 58.144 55.803 -0.075 0.000 0.862 327 Q CB -1.336 27.362 28.738 -0.068 0.000 0.934 327 Q HN 0.783 nan 8.270 nan 0.000 0.420 328 V N -1.549 118.304 119.914 -0.102 0.000 2.720 328 V HA -0.021 4.099 4.120 -0.000 0.000 0.256 328 V C 2.079 178.057 176.094 -0.193 0.000 1.082 328 V CA 2.067 64.296 62.300 -0.117 0.000 1.101 328 V CB -1.501 30.267 31.823 -0.092 0.000 0.693 328 V HN 0.355 nan 8.190 nan 0.000 0.479 329 G N 0.922 109.551 108.800 -0.286 0.000 2.509 329 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 329 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 329 G C 1.539 176.007 174.900 -0.720 0.000 1.124 329 G CA 1.455 46.077 45.100 -0.797 0.000 0.776 329 G HN 0.739 nan 8.290 nan 0.000 0.547 330 T N -2.527 111.792 114.554 -0.390 0.000 3.022 330 T HA 0.392 4.742 4.350 -0.000 0.000 0.250 330 T C 1.116 175.715 174.700 -0.167 0.000 1.060 330 T CA -0.331 61.614 62.100 -0.259 0.000 1.013 330 T CB 0.022 68.787 68.868 -0.172 0.000 0.982 330 T HN 0.097 nan 8.240 nan 0.000 0.508 331 M N 2.570 122.077 119.600 -0.154 0.000 2.233 331 M HA 0.372 4.851 4.480 -0.000 0.000 0.350 331 M C -2.534 173.708 176.300 -0.098 0.000 1.176 331 M CA -2.063 53.175 55.300 -0.102 0.000 1.150 331 M CB 0.420 32.968 32.600 -0.087 0.000 1.530 331 M HN -0.088 nan 8.290 nan 0.000 0.459 332 P HA 0.147 nan 4.420 nan 0.000 0.274 332 P C -0.684 176.572 177.300 -0.073 0.000 1.231 332 P CA -0.541 62.523 63.100 -0.060 0.000 0.790 332 P CB 0.374 32.072 31.700 -0.004 0.000 0.951 333 V N 1.945 121.800 119.914 -0.099 0.000 2.814 333 V HA 0.187 4.307 4.120 -0.000 0.000 0.307 333 V C 1.782 177.837 176.094 -0.065 0.000 1.089 333 V CA 2.011 64.258 62.300 -0.088 0.000 1.212 333 V CB -0.664 31.093 31.823 -0.110 0.000 0.912 333 V HN 1.053 nan 8.190 nan 0.000 0.497 334 G N 3.533 112.302 108.800 -0.051 0.000 2.199 334 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 334 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 334 G C 0.383 175.266 174.900 -0.029 0.000 0.982 334 G CA 0.133 45.211 45.100 -0.036 0.000 0.632 334 G HN 0.812 nan 8.290 nan 0.000 0.529 335 S N 1.553 117.233 115.700 -0.033 0.000 2.515 335 S HA 0.322 4.792 4.470 -0.000 0.000 0.285 335 S C 0.551 175.135 174.600 -0.027 0.000 1.265 335 S CA 0.323 58.506 58.200 -0.028 0.000 1.079 335 S CB 0.774 63.953 63.200 -0.035 0.000 0.877 335 S HN 0.466 nan 8.310 nan 0.000 0.493 336 K N 2.980 123.367 120.400 -0.021 0.000 2.258 336 K HA 0.457 4.777 4.320 -0.000 0.000 0.284 336 K C -0.320 176.268 176.600 -0.021 0.000 1.051 336 K CA -0.475 55.800 56.287 -0.020 0.000 0.923 336 K CB 0.462 32.953 32.500 -0.015 0.000 1.046 336 K HN 0.440 nan 8.250 nan 0.000 0.474 337 L N -0.649 120.561 121.223 -0.022 0.000 2.322 337 L HA 0.684 5.024 4.340 -0.000 0.000 0.252 337 L C -0.386 176.473 176.870 -0.019 0.000 1.055 337 L CA -0.812 54.014 54.840 -0.023 0.000 0.849 337 L CB 1.718 43.759 42.059 -0.029 0.000 1.446 337 L HN 0.567 nan 8.230 nan 0.000 0.416 338 T N -0.980 113.563 114.554 -0.018 0.000 2.886 338 T HA 0.798 5.148 4.350 -0.000 0.000 0.292 338 T C -0.675 174.016 174.700 -0.015 0.000 1.012 338 T CA -0.571 61.520 62.100 -0.014 0.000 0.982 338 T CB 1.106 69.968 68.868 -0.011 0.000 1.018 338 T HN 0.697 nan 8.240 nan 0.000 0.451 339 L N 2.023 123.238 121.223 -0.013 0.000 2.330 339 L HA 0.796 5.136 4.340 -0.000 0.000 0.271 339 L C 0.698 177.565 176.870 -0.005 0.000 1.013 339 L CA -1.258 53.575 54.840 -0.011 0.000 0.816 339 L CB 2.085 44.136 42.059 -0.014 0.000 1.287 339 L HN 1.005 nan 8.230 nan 0.000 0.435 340 G N 2.221 111.021 108.800 -0.000 0.000 2.415 340 G HA2 0.592 4.552 3.960 -0.000 0.000 0.317 340 G HA3 0.592 4.552 3.960 -0.000 0.000 0.317 340 G C -0.957 173.949 174.900 0.011 0.000 1.152 340 G CA -0.218 44.885 45.100 0.005 0.000 0.956 340 G HN 0.160 nan 8.290 nan 0.000 0.458 341 L N 1.357 122.586 121.223 0.011 0.000 2.331 341 L HA 0.700 5.039 4.340 -0.000 0.000 0.268 341 L C -0.306 176.577 176.870 0.022 0.000 1.015 341 L CA -1.076 53.773 54.840 0.016 0.000 0.807 341 L CB 1.977 44.040 42.059 0.008 0.000 1.293 341 L HN 0.379 nan 8.230 nan 0.000 0.451 342 L N 1.811 123.053 121.223 0.031 0.000 2.504 342 L HA 0.532 4.871 4.340 -0.000 0.000 0.265 342 L C -0.955 175.940 176.870 0.042 0.000 0.975 342 L CA -0.274 54.588 54.840 0.036 0.000 0.864 342 L CB 0.745 42.831 42.059 0.045 0.000 1.212 342 L HN 0.689 nan 8.230 nan 0.000 0.416 343 R N 2.225 122.744 120.500 0.031 0.000 2.476 343 R HA 0.667 5.007 4.340 -0.000 0.000 0.305 343 R C -1.043 175.274 176.300 0.029 0.000 0.965 343 R CA -0.630 55.489 56.100 0.032 0.000 0.867 343 R CB 1.267 31.578 30.300 0.019 0.000 1.176 343 R HN 0.450 nan 8.270 nan 0.000 0.447 344 D N 2.648 123.069 120.400 0.035 0.000 2.723 344 D HA -0.160 4.480 4.640 -0.000 0.000 0.236 344 D C 0.801 177.115 176.300 0.023 0.000 1.138 344 D CA 1.868 55.884 54.000 0.027 0.000 0.676 344 D CB -1.206 39.607 40.800 0.021 0.000 1.069 344 D HN 1.178 nan 8.370 nan 0.000 0.430 345 G N -0.208 108.608 108.800 0.026 0.000 2.233 345 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.270 345 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.270 345 G C 0.176 175.087 174.900 0.018 0.000 1.011 345 G CA 0.963 46.075 45.100 0.022 0.000 0.762 345 G HN 0.495 nan 8.290 nan 0.000 0.511 346 K N -0.129 120.283 120.400 0.019 0.000 2.345 346 K HA 0.362 4.682 4.320 -0.000 0.000 0.255 346 K C -0.088 176.521 176.600 0.015 0.000 0.934 346 K CA -0.862 55.434 56.287 0.015 0.000 0.801 346 K CB 1.384 33.891 32.500 0.012 0.000 1.137 346 K HN 0.047 nan 8.250 nan 0.000 0.424 347 Q N 2.448 122.256 119.800 0.013 0.000 2.296 347 Q HA 0.221 4.561 4.340 -0.000 0.000 0.262 347 Q C -0.689 175.316 176.000 0.009 0.000 0.981 347 Q CA -0.000 55.810 55.803 0.012 0.000 0.905 347 Q CB 1.323 30.067 28.738 0.011 0.000 1.186 347 Q HN 0.347 nan 8.270 nan 0.000 0.399 348 V N 3.849 123.769 119.914 0.009 0.000 2.735 348 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 348 V C -0.450 175.646 176.094 0.003 0.000 1.061 348 V CA -1.055 61.248 62.300 0.005 0.000 0.913 348 V CB 2.431 34.256 31.823 0.004 0.000 1.005 348 V HN 0.663 nan 8.190 nan 0.000 0.428 349 N N 1.488 120.188 118.700 0.001 0.000 2.284 349 N HA 0.752 5.492 4.740 -0.000 0.000 0.300 349 N C -1.308 174.200 175.510 -0.003 0.000 1.047 349 N CA -0.303 52.746 53.050 -0.001 0.000 0.821 349 N CB 2.411 40.897 38.487 -0.001 0.000 1.337 349 N HN 0.512 nan 8.380 nan 0.000 0.482 350 V N 1.852 121.762 119.914 -0.006 0.000 2.841 350 V HA 0.492 4.612 4.120 -0.000 0.000 0.310 350 V C -1.341 174.748 176.094 -0.010 0.000 1.090 350 V CA -0.784 61.512 62.300 -0.008 0.000 0.930 350 V CB 2.110 33.927 31.823 -0.009 0.000 1.014 350 V HN 0.563 nan 8.190 nan 0.000 0.425 351 N N 5.548 124.242 118.700 -0.010 0.000 2.426 351 N HA 0.633 5.372 4.740 -0.000 0.000 0.275 351 N C -0.855 174.647 175.510 -0.014 0.000 1.019 351 N CA -0.123 52.920 53.050 -0.012 0.000 0.941 351 N CB 1.821 40.302 38.487 -0.010 0.000 1.123 351 N HN 0.612 nan 8.380 nan 0.000 0.486 352 L N 0.488 121.701 121.223 -0.017 0.000 2.279 352 L HA 0.553 4.893 4.340 -0.000 0.000 0.262 352 L C -0.091 176.767 176.870 -0.021 0.000 1.019 352 L CA -0.681 54.147 54.840 -0.019 0.000 0.823 352 L CB 2.168 44.214 42.059 -0.022 0.000 1.358 352 L HN 0.465 nan 8.230 nan 0.000 0.432 353 E N 1.473 121.659 120.200 -0.023 0.000 2.294 353 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 353 E C -1.335 175.248 176.600 -0.029 0.000 0.896 353 E CA -0.592 55.793 56.400 -0.025 0.000 0.802 353 E CB 1.536 31.223 29.700 -0.021 0.000 1.267 353 E HN 0.448 nan 8.360 nan 0.000 0.406 354 L N 2.880 124.082 121.223 -0.035 0.000 2.516 354 L HA 0.016 4.356 4.340 -0.000 0.000 0.288 354 L C 0.442 177.289 176.870 -0.038 0.000 1.246 354 L CA 0.969 55.785 54.840 -0.040 0.000 0.844 354 L CB 0.347 42.375 42.059 -0.052 0.000 1.106 354 L HN 0.654 nan 8.230 nan 0.000 0.509 355 Q N 0.984 120.762 119.800 -0.037 0.000 2.451 355 Q HA 0.316 4.656 4.340 -0.000 0.000 0.281 355 Q C -1.281 174.697 176.000 -0.036 0.000 1.099 355 Q CA -0.810 54.972 55.803 -0.034 0.000 0.806 355 Q CB 2.168 30.891 28.738 -0.025 0.000 1.419 355 Q HN 0.528 nan 8.270 nan 0.000 0.427 356 Q N 0.511 120.289 119.800 -0.036 0.000 2.443 356 Q HA 0.170 4.510 4.340 -0.000 0.000 0.232 356 Q C 0.043 176.029 176.000 -0.024 0.000 1.026 356 Q CA -0.066 55.715 55.803 -0.036 0.000 0.924 356 Q CB 0.978 29.694 28.738 -0.038 0.000 1.256 356 Q HN 0.641 nan 8.270 nan 0.000 0.519 369 N N -0.032 118.664 118.700 -0.006 0.000 2.446 369 N HA 0.824 5.563 4.740 -0.000 0.000 0.272 369 N C -0.670 174.836 175.510 -0.007 0.000 1.127 369 N CA -0.200 52.846 53.050 -0.006 0.000 0.896 369 N CB 1.837 40.321 38.487 -0.005 0.000 1.658 369 N HN 2.463 nan 8.380 nan 0.000 0.483 370 G N 0.722 109.518 108.800 -0.007 0.000 2.470 370 G HA2 0.660 4.620 3.960 -0.000 0.000 0.320 370 G HA3 0.660 4.620 3.960 -0.000 0.000 0.320 370 G C -1.062 173.835 174.900 -0.005 0.000 1.245 370 G CA -0.215 44.881 45.100 -0.007 0.000 0.935 370 G HN 0.622 nan 8.290 nan 0.000 0.476 371 I N 1.465 122.033 120.570 -0.004 0.000 2.466 371 I HA 0.532 4.702 4.170 -0.000 0.000 0.289 371 I C 0.787 176.903 176.117 -0.002 0.000 1.026 371 I CA -0.272 61.026 61.300 -0.003 0.000 1.078 371 I CB 0.603 38.602 38.000 -0.001 0.000 1.249 371 I HN 0.999 nan 8.210 nan 0.000 0.429 372 E N 3.851 124.051 120.200 -0.001 0.000 2.389 372 E HA -0.115 4.235 4.350 -0.000 0.000 0.243 372 E C 1.211 177.810 176.600 -0.001 0.000 1.154 372 E CA 1.504 57.904 56.400 -0.000 0.000 0.723 372 E CB -2.207 27.494 29.700 0.002 0.000 1.261 372 E HN 2.041 nan 8.360 nan 0.000 0.390 373 G N -3.148 105.651 108.800 -0.003 0.000 2.143 373 G HA2 0.222 4.181 3.960 -0.000 0.000 0.248 373 G HA3 0.222 4.181 3.960 -0.000 0.000 0.248 373 G C 0.509 175.407 174.900 -0.004 0.000 0.991 373 G CA 1.242 46.340 45.100 -0.004 0.000 0.689 373 G HN 2.298 nan 8.290 nan 0.000 0.522 374 A N -0.821 121.997 122.820 -0.004 0.000 2.330 374 A HA 0.923 5.242 4.320 -0.000 0.000 0.313 374 A C -0.047 177.533 177.584 -0.006 0.000 1.124 374 A CA 0.903 52.937 52.037 -0.005 0.000 0.774 374 A CB 1.197 20.195 19.000 -0.004 0.000 1.198 374 A HN 1.720 nan 8.150 nan 0.000 0.465 375 E N 2.549 122.745 120.200 -0.007 0.000 2.146 375 E HA 0.711 5.060 4.350 -0.000 0.000 0.282 375 E C -0.440 176.155 176.600 -0.008 0.000 0.989 375 E CA -0.288 56.107 56.400 -0.007 0.000 0.799 375 E CB 0.794 30.490 29.700 -0.008 0.000 1.088 375 E HN 0.747 nan 8.360 nan 0.000 0.397 376 M N 0.750 120.345 119.600 -0.008 0.000 2.791 376 M HA 0.739 5.219 4.480 -0.000 0.000 0.286 376 M C 0.023 176.318 176.300 -0.009 0.000 1.238 376 M CA -0.836 54.459 55.300 -0.009 0.000 0.762 376 M CB 2.621 35.215 32.600 -0.010 0.000 1.758 376 M HN 0.726 nan 8.290 nan 0.000 0.447 377 S N -1.017 114.677 115.700 -0.009 0.000 2.757 377 S HA 0.579 5.048 4.470 -0.000 0.000 0.285 377 S C -1.596 172.999 174.600 -0.009 0.000 1.196 377 S CA -1.153 57.041 58.200 -0.008 0.000 0.856 377 S CB 1.134 64.329 63.200 -0.008 0.000 1.212 377 S HN 0.629 nan 8.310 nan 0.000 0.516 378 N N 0.971 119.666 118.700 -0.008 0.000 2.493 378 N HA 0.434 5.174 4.740 -0.000 0.000 0.275 378 N C -0.934 174.571 175.510 -0.009 0.000 1.186 378 N CA -0.430 52.615 53.050 -0.009 0.000 0.978 378 N CB 0.956 39.438 38.487 -0.007 0.000 1.184 378 N HN 0.657 nan 8.380 nan 0.000 0.487 379 K N 0.306 120.700 120.400 -0.010 0.000 2.358 379 K HA 0.416 4.736 4.320 -0.000 0.000 0.260 379 K C 0.716 177.311 176.600 -0.009 0.000 0.956 379 K CA -0.414 55.867 56.287 -0.010 0.000 0.834 379 K CB 0.681 33.173 32.500 -0.012 0.000 1.102 379 K HN 0.636 nan 8.250 nan 0.000 0.431 380 G N 2.675 111.470 108.800 -0.008 0.000 2.690 380 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.334 380 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.334 380 G C -0.279 174.617 174.900 -0.006 0.000 1.250 380 G CA 0.774 45.870 45.100 -0.007 0.000 0.994 380 G HN 0.811 nan 8.290 nan 0.000 0.549 381 K N -0.217 120.179 120.400 -0.006 0.000 2.521 381 K HA 0.602 4.922 4.320 -0.000 0.000 0.248 381 K C 0.185 176.782 176.600 -0.006 0.000 0.978 381 K CA 0.626 56.910 56.287 -0.005 0.000 0.947 381 K CB 0.419 32.917 32.500 -0.004 0.000 1.165 381 K HN 1.179 nan 8.250 nan 0.000 0.445 382 D N 1.718 122.114 120.400 -0.006 0.000 2.723 382 D HA -0.128 4.512 4.640 -0.000 0.000 0.236 382 D C 0.372 176.668 176.300 -0.008 0.000 1.138 382 D CA 1.193 55.189 54.000 -0.006 0.000 0.676 382 D CB -0.480 40.318 40.800 -0.005 0.000 1.069 382 D HN 0.688 nan 8.370 nan 0.000 0.430 383 Q N -0.521 119.273 119.800 -0.009 0.000 2.189 383 Q HA 0.475 4.814 4.340 -0.000 0.000 0.221 383 Q C 1.251 177.242 176.000 -0.015 0.000 0.848 383 Q CA 0.556 56.352 55.803 -0.012 0.000 1.007 383 Q CB 0.846 29.578 28.738 -0.011 0.000 1.116 383 Q HN 0.538 nan 8.270 nan 0.000 0.481 384 G N -0.236 108.555 108.800 -0.015 0.000 2.631 384 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.504 384 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.504 384 G C -0.914 173.975 174.900 -0.018 0.000 1.306 384 G CA -0.712 44.377 45.100 -0.019 0.000 0.897 384 G HN 0.037 nan 8.290 nan 0.000 0.520 385 V N 0.721 120.622 119.914 -0.020 0.000 2.294 385 V HA 0.515 4.635 4.120 -0.000 0.000 0.272 385 V C 0.970 177.052 176.094 -0.020 0.000 1.027 385 V CA -0.170 62.120 62.300 -0.018 0.000 0.823 385 V CB 0.830 32.644 31.823 -0.016 0.000 1.030 385 V HN 1.210 nan 8.190 nan 0.000 0.457 386 V N 6.935 126.838 119.914 -0.017 0.000 2.649 386 V HA 0.382 4.502 4.120 -0.000 0.000 0.292 386 V C 0.169 176.254 176.094 -0.015 0.000 1.055 386 V CA 0.079 62.368 62.300 -0.017 0.000 1.023 386 V CB 1.927 33.741 31.823 -0.015 0.000 0.992 386 V HN 0.581 nan 8.190 nan 0.000 0.480 387 V N 7.946 127.851 119.914 -0.016 0.000 2.432 387 V HA 0.249 4.369 4.120 -0.000 0.000 0.271 387 V C 0.833 176.920 176.094 -0.011 0.000 1.046 387 V CA 0.102 62.394 62.300 -0.013 0.000 0.945 387 V CB 0.654 32.469 31.823 -0.013 0.000 0.992 387 V HN 1.054 nan 8.190 nan 0.000 0.471 388 N N 3.674 122.368 118.700 -0.010 0.000 2.182 388 N HA 0.013 4.753 4.740 -0.000 0.000 0.186 388 N C 0.476 175.981 175.510 -0.008 0.000 1.036 388 N CA 0.569 53.613 53.050 -0.009 0.000 0.850 388 N CB 0.097 38.579 38.487 -0.008 0.000 1.010 388 N HN 0.591 nan 8.380 nan 0.000 0.432 389 N N -0.419 118.276 118.700 -0.008 0.000 2.405 389 N HA 0.292 5.031 4.740 -0.000 0.000 0.274 389 N C -1.805 173.702 175.510 -0.006 0.000 1.170 389 N CA -0.584 52.462 53.050 -0.007 0.000 0.848 389 N CB 1.963 40.446 38.487 -0.006 0.000 1.629 389 N HN -0.053 nan 8.380 nan 0.000 0.481 390 V N -1.970 117.941 119.914 -0.006 0.000 2.919 390 V HA 0.981 5.101 4.120 -0.000 0.000 0.316 390 V C 0.293 176.385 176.094 -0.004 0.000 1.077 390 V CA -1.044 61.253 62.300 -0.005 0.000 0.977 390 V CB 0.764 32.584 31.823 -0.004 0.000 1.039 390 V HN 0.763 nan 8.190 nan 0.000 0.441 391 K N 0.023 120.421 120.400 -0.004 0.000 2.159 391 K HA 0.637 4.957 4.320 -0.000 0.000 0.266 391 K C 0.924 177.522 176.600 -0.002 0.000 0.975 391 K CA -0.044 56.241 56.287 -0.003 0.000 0.865 391 K CB 0.978 33.476 32.500 -0.003 0.000 1.087 391 K HN 1.164 nan 8.250 nan 0.000 0.446 392 T N -1.262 113.290 114.554 -0.002 0.000 2.732 392 T HA -0.038 4.312 4.350 -0.000 0.000 0.261 392 T C 2.150 176.849 174.700 -0.000 0.000 1.040 392 T CA 1.632 63.731 62.100 -0.001 0.000 1.145 392 T CB -0.363 68.505 68.868 -0.001 0.000 0.866 392 T HN 0.791 nan 8.240 nan 0.000 0.427 393 G N 2.350 111.150 108.800 -0.001 0.000 2.498 393 G HA2 0.042 4.001 3.960 -0.000 0.000 0.219 393 G HA3 0.042 4.001 3.960 -0.000 0.000 0.219 393 G C 0.970 175.870 174.900 0.000 0.000 1.119 393 G CA 0.960 46.060 45.100 -0.000 0.000 0.766 393 G HN 0.818 nan 8.290 nan 0.000 0.552 394 T N -1.325 113.229 114.554 -0.000 0.000 2.868 394 T HA 0.362 4.712 4.350 -0.000 0.000 0.292 394 T C -1.032 173.669 174.700 0.001 0.000 1.028 394 T CA -1.291 60.809 62.100 -0.000 0.000 1.059 394 T CB 1.942 70.810 68.868 -0.001 0.000 0.991 394 T HN -0.070 nan 8.240 nan 0.000 0.531 395 P HA -0.018 nan 4.420 nan 0.000 0.225 395 P C 1.453 178.755 177.300 0.003 0.000 1.148 395 P CA 0.865 63.967 63.100 0.003 0.000 0.779 395 P CB -0.315 31.387 31.700 0.004 0.000 0.780 396 A N 1.315 124.136 122.820 0.002 0.000 1.858 396 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 396 A C 2.433 180.018 177.584 0.002 0.000 1.190 396 A CA 2.209 54.247 52.037 0.001 0.000 0.617 396 A CB -1.527 17.472 19.000 -0.001 0.000 0.827 396 A HN 0.245 nan 8.150 nan 0.000 0.443 397 A N -1.781 121.040 122.820 0.001 0.000 2.167 397 A HA 0.268 4.588 4.320 -0.000 0.000 0.214 397 A C 2.161 179.747 177.584 0.003 0.000 1.151 397 A CA 1.696 53.734 52.037 0.001 0.000 0.735 397 A CB -0.788 18.213 19.000 0.000 0.000 0.802 397 A HN 0.822 nan 8.150 nan 0.000 0.467 398 Q N 0.062 119.864 119.800 0.004 0.000 2.435 398 Q HA 0.225 4.564 4.340 -0.000 0.000 0.207 398 Q C 1.702 177.706 176.000 0.007 0.000 0.956 398 Q CA 1.257 57.063 55.803 0.005 0.000 0.917 398 Q CB -1.019 27.722 28.738 0.005 0.000 0.997 398 Q HN 1.215 nan 8.270 nan 0.000 0.497 399 I N -6.249 114.326 120.570 0.008 0.000 4.018 399 I HA 0.654 4.824 4.170 -0.000 0.000 0.337 399 I C 1.408 177.533 176.117 0.012 0.000 1.327 399 I CA 0.718 62.024 61.300 0.011 0.000 1.100 399 I CB 0.856 38.864 38.000 0.013 0.000 1.025 399 I HN 0.238 nan 8.210 nan 0.000 0.396 400 G N 1.865 110.670 108.800 0.009 0.000 2.391 400 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.204 400 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.204 400 G C 0.155 175.057 174.900 0.004 0.000 1.012 400 G CA -0.157 44.948 45.100 0.008 0.000 0.651 400 G HN 0.250 nan 8.290 nan 0.000 0.494 401 L N 1.703 122.927 121.223 0.002 0.000 2.706 401 L HA 0.374 4.714 4.340 -0.000 0.000 0.282 401 L C 0.992 177.860 176.870 -0.004 0.000 1.219 401 L CA 1.410 56.249 54.840 -0.003 0.000 0.935 401 L CB 0.047 42.104 42.059 -0.003 0.000 1.204 401 L HN 0.686 nan 8.230 nan 0.000 0.491 402 K N 2.882 123.278 120.400 -0.006 0.000 2.400 402 K HA 0.779 5.099 4.320 -0.000 0.000 0.246 402 K C -0.087 176.508 176.600 -0.008 0.000 0.995 402 K CA -0.247 56.037 56.287 -0.006 0.000 0.840 402 K CB 0.965 33.462 32.500 -0.005 0.000 1.293 402 K HN 0.504 nan 8.250 nan 0.000 0.445 403 K N -0.203 120.193 120.400 -0.007 0.000 2.401 403 K HA 0.525 4.845 4.320 -0.000 0.000 0.278 403 K C 1.378 177.972 176.600 -0.010 0.000 1.018 403 K CA 0.672 56.954 56.287 -0.008 0.000 0.981 403 K CB -0.265 32.231 32.500 -0.007 0.000 0.933 403 K HN 2.405 nan 8.250 nan 0.000 0.477 404 G N 1.147 109.940 108.800 -0.011 0.000 2.218 404 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 404 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 404 G C -0.060 174.831 174.900 -0.016 0.000 0.994 404 G CA 0.072 45.165 45.100 -0.012 0.000 0.637 404 G HN 0.796 nan 8.290 nan 0.000 0.505 405 D N 0.204 120.594 120.400 -0.018 0.000 2.400 405 D HA 0.452 5.091 4.640 -0.000 0.000 0.238 405 D C 0.356 176.639 176.300 -0.028 0.000 1.157 405 D CA 0.392 54.377 54.000 -0.025 0.000 0.889 405 D CB 1.759 42.543 40.800 -0.027 0.000 1.199 405 D HN 0.267 nan 8.370 nan 0.000 0.436 406 V N 2.908 122.800 119.914 -0.037 0.000 2.419 406 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 406 V C 0.342 176.405 176.094 -0.052 0.000 1.017 406 V CA -0.692 61.585 62.300 -0.038 0.000 0.844 406 V CB 1.085 32.888 31.823 -0.032 0.000 1.011 406 V HN 0.386 nan 8.190 nan 0.000 0.429 407 I N 5.680 126.220 120.570 -0.050 0.000 2.576 407 I HA 0.090 4.260 4.170 -0.000 0.000 0.288 407 I C 1.353 177.434 176.117 -0.059 0.000 1.126 407 I CA 0.411 61.674 61.300 -0.063 0.000 1.362 407 I CB 0.542 38.514 38.000 -0.046 0.000 1.419 407 I HN 0.617 nan 8.210 nan 0.000 0.533 408 I N 5.000 125.522 120.570 -0.080 0.000 2.406 408 I HA 0.079 4.249 4.170 -0.000 0.000 0.249 408 I C 1.272 177.359 176.117 -0.051 0.000 1.122 408 I CA 0.485 61.747 61.300 -0.063 0.000 1.431 408 I CB -0.173 37.783 38.000 -0.073 0.000 1.087 408 I HN 0.717 nan 8.210 nan 0.000 0.424 409 G N 0.003 108.764 108.800 -0.066 0.000 2.506 409 G HA2 0.704 4.664 3.960 -0.000 0.000 0.292 409 G HA3 0.704 4.664 3.960 -0.000 0.000 0.292 409 G C -2.107 172.778 174.900 -0.026 0.000 1.425 409 G CA 0.042 45.123 45.100 -0.032 0.000 0.788 409 G HN 0.174 nan 8.290 nan 0.000 0.490 410 A N 0.034 122.864 122.820 0.016 0.000 2.459 410 A HA 0.711 5.031 4.320 -0.000 0.000 0.296 410 A C -0.010 177.614 177.584 0.066 0.000 1.039 410 A CA -0.378 51.687 52.037 0.046 0.000 0.698 410 A CB 1.026 20.042 19.000 0.026 0.000 1.261 410 A HN 1.621 nan 8.150 nan 0.000 0.405 411 N N 1.669 120.429 118.700 0.100 0.000 2.738 411 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 411 N C 0.048 175.595 175.510 0.063 0.000 1.047 411 N CA 1.457 54.552 53.050 0.074 0.000 0.707 411 N CB -0.885 37.630 38.487 0.046 0.000 0.937 411 N HN 0.768 nan 8.380 nan 0.000 0.545 412 Q N -3.407 116.446 119.800 0.087 0.000 2.480 412 Q HA -0.260 4.080 4.340 -0.000 0.000 0.265 412 Q C -0.686 175.341 176.000 0.045 0.000 1.072 412 Q CA 1.349 57.192 55.803 0.067 0.000 1.018 412 Q CB -1.690 27.074 28.738 0.044 0.000 1.433 412 Q HN 0.790 nan 8.270 nan 0.000 0.513 413 Q N -0.686 119.139 119.800 0.042 0.000 2.340 413 Q HA 0.713 5.053 4.340 -0.000 0.000 0.268 413 Q C -0.382 175.630 176.000 0.020 0.000 1.031 413 Q CA -0.139 55.680 55.803 0.026 0.000 0.804 413 Q CB 1.940 30.691 28.738 0.021 0.000 1.286 413 Q HN 0.293 nan 8.270 nan 0.000 0.448 414 A N 2.260 125.089 122.820 0.013 0.000 2.488 414 A HA 0.339 4.659 4.320 -0.000 0.000 0.249 414 A C -0.191 177.394 177.584 0.001 0.000 1.083 414 A CA -0.196 51.844 52.037 0.006 0.000 0.768 414 A CB 0.313 19.316 19.000 0.005 0.000 1.017 414 A HN 0.497 nan 8.150 nan 0.000 0.496 415 V N 4.751 124.662 119.914 -0.007 0.000 2.313 415 V HA 0.193 4.312 4.120 -0.000 0.000 0.278 415 V C 0.656 176.743 176.094 -0.011 0.000 1.017 415 V CA -0.286 62.009 62.300 -0.009 0.000 0.823 415 V CB 0.981 32.796 31.823 -0.014 0.000 1.010 415 V HN 1.077 nan 8.190 nan 0.000 0.443 416 K N 3.069 123.464 120.400 -0.008 0.000 2.242 416 K HA 0.182 4.502 4.320 -0.000 0.000 0.200 416 K C 0.370 176.965 176.600 -0.008 0.000 1.050 416 K CA 0.557 56.839 56.287 -0.008 0.000 0.981 416 K CB 0.254 32.751 32.500 -0.005 0.000 0.795 416 K HN 0.823 nan 8.250 nan 0.000 0.477 417 N N -1.253 117.443 118.700 -0.007 0.000 3.039 417 N HA 0.195 4.935 4.740 -0.000 0.000 0.257 417 N C 0.306 175.812 175.510 -0.006 0.000 1.497 417 N CA -0.767 52.279 53.050 -0.007 0.000 0.861 417 N CB 0.218 38.702 38.487 -0.005 0.000 1.479 417 N HN -0.234 nan 8.380 nan 0.000 0.547 418 I N -0.354 120.213 120.570 -0.006 0.000 2.756 418 I HA -0.129 4.041 4.170 -0.000 0.000 0.262 418 I C 1.989 178.104 176.117 -0.003 0.000 1.225 418 I CA 1.284 62.581 61.300 -0.005 0.000 1.472 418 I CB -0.555 37.442 38.000 -0.005 0.000 1.094 418 I HN 0.724 nan 8.210 nan 0.000 0.454 419 A N 0.887 123.706 122.820 -0.002 0.000 1.897 419 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 419 A C 2.218 179.802 177.584 0.000 0.000 1.181 419 A CA 1.251 53.288 52.037 -0.000 0.000 0.620 419 A CB -0.352 18.648 19.000 -0.000 0.000 0.821 419 A HN 0.409 nan 8.150 nan 0.000 0.443 420 E N -0.639 119.561 120.200 -0.000 0.000 2.152 420 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 420 E C 1.906 178.507 176.600 0.002 0.000 0.983 420 E CA 0.877 57.278 56.400 0.001 0.000 0.818 420 E CB -0.197 29.503 29.700 0.000 0.000 0.758 420 E HN 0.500 nan 8.360 nan 0.000 0.467 421 L N 1.449 122.672 121.223 -0.000 0.000 1.994 421 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 421 L C 2.382 179.253 176.870 0.002 0.000 1.071 421 L CA 1.819 56.659 54.840 -0.000 0.000 0.745 421 L CB -0.295 41.762 42.059 -0.003 0.000 0.892 421 L HN -0.135 nan 8.230 nan 0.000 0.431 422 R N -0.453 120.048 120.500 0.002 0.000 2.152 422 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 422 R C 2.187 178.490 176.300 0.005 0.000 1.117 422 R CA 1.278 57.379 56.100 0.003 0.000 0.981 422 R CB -0.223 30.079 30.300 0.002 0.000 0.870 422 R HN 0.236 nan 8.270 nan 0.000 0.451 423 K N -0.648 119.755 120.400 0.005 0.000 2.288 423 K HA 0.010 4.329 4.320 -0.000 0.000 0.201 423 K C 1.422 178.027 176.600 0.007 0.000 1.048 423 K CA 1.003 57.294 56.287 0.006 0.000 0.956 423 K CB 0.168 32.671 32.500 0.005 0.000 0.746 423 K HN 0.079 nan 8.250 nan 0.000 0.461 424 V N 0.492 120.410 119.914 0.008 0.000 2.535 424 V HA -0.093 4.026 4.120 -0.000 0.000 0.246 424 V C 1.967 178.067 176.094 0.011 0.000 1.045 424 V CA 1.108 63.415 62.300 0.011 0.000 1.058 424 V CB -0.315 31.516 31.823 0.013 0.000 0.689 424 V HN 0.213 nan 8.190 nan 0.000 0.461 425 L N -0.080 121.149 121.223 0.009 0.000 2.275 425 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 425 L C 2.082 178.957 176.870 0.009 0.000 1.119 425 L CA 0.989 55.835 54.840 0.009 0.000 0.790 425 L CB -0.647 41.416 42.059 0.008 0.000 0.919 425 L HN 0.327 nan 8.230 nan 0.000 0.443 426 D N -0.729 119.676 120.400 0.008 0.000 2.219 426 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 426 D C 2.330 178.635 176.300 0.008 0.000 0.970 426 D CA 1.074 55.078 54.000 0.008 0.000 0.851 426 D CB 0.079 40.884 40.800 0.007 0.000 0.943 426 D HN 0.095 nan 8.370 nan 0.000 0.488 427 S N 0.006 115.711 115.700 0.009 0.000 2.447 427 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 427 S C 0.355 174.961 174.600 0.009 0.000 1.006 427 S CA 0.279 58.484 58.200 0.009 0.000 0.957 427 S CB -0.260 62.946 63.200 0.010 0.000 0.773 427 S HN 0.135 nan 8.310 nan 0.000 0.507 428 K N 1.554 121.960 120.400 0.010 0.000 4.405 428 K HA -0.104 4.216 4.320 -0.000 0.000 0.287 428 K C -2.670 173.936 176.600 0.010 0.000 0.905 428 K CA 0.463 56.756 56.287 0.010 0.000 0.867 428 K CB -1.191 31.314 32.500 0.009 0.000 1.652 428 K HN 0.461 nan 8.250 nan 0.000 0.435 429 P HA 0.064 nan 4.420 nan 0.000 0.282 429 P C 0.762 178.068 177.300 0.011 0.000 1.249 429 P CA -0.362 62.745 63.100 0.012 0.000 0.806 429 P CB 1.511 33.220 31.700 0.015 0.000 0.984 430 S N 1.540 117.246 115.700 0.010 0.000 2.383 430 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 430 S C 0.926 175.532 174.600 0.010 0.000 1.030 430 S CA 0.672 58.877 58.200 0.009 0.000 1.002 430 S CB -0.516 62.688 63.200 0.007 0.000 0.829 430 S HN 0.431 nan 8.310 nan 0.000 0.467 431 V N 0.903 120.825 119.914 0.012 0.000 2.709 431 V HA 0.703 4.823 4.120 -0.000 0.000 0.308 431 V C -1.566 174.541 176.094 0.021 0.000 1.062 431 V CA -1.220 61.089 62.300 0.015 0.000 0.901 431 V CB 1.905 33.735 31.823 0.011 0.000 1.003 431 V HN 0.434 nan 8.190 nan 0.000 0.425 432 L N 6.533 127.772 121.223 0.027 0.000 2.298 432 L HA 0.896 5.236 4.340 -0.000 0.000 0.284 432 L C 0.068 176.972 176.870 0.056 0.000 1.013 432 L CA -0.055 54.807 54.840 0.036 0.000 0.824 432 L CB 1.226 43.302 42.059 0.029 0.000 1.221 432 L HN 0.823 nan 8.230 nan 0.000 0.418 433 A N 6.806 129.675 122.820 0.082 0.000 2.277 433 A HA 0.635 4.955 4.320 -0.000 0.000 0.318 433 A C -0.850 176.849 177.584 0.191 0.000 1.339 433 A CA -0.485 51.644 52.037 0.154 0.000 0.875 433 A CB 0.044 19.134 19.000 0.149 0.000 1.158 433 A HN 0.702 nan 8.150 nan 0.000 0.514 434 L N 2.367 123.671 121.223 0.136 0.000 2.292 434 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 434 L C 0.428 177.175 176.870 -0.205 0.000 1.065 434 L CA -0.684 54.160 54.840 0.007 0.000 0.806 434 L CB 1.111 43.161 42.059 -0.016 0.000 1.175 434 L HN 0.717 nan 8.230 nan 0.000 0.431 435 N N 4.946 123.427 118.700 -0.364 0.000 3.229 435 N HA 0.237 4.976 4.740 -0.000 0.000 0.275 435 N C -0.366 174.908 175.510 -0.393 0.000 1.225 435 N CA -0.405 52.187 53.050 -0.763 0.000 1.119 435 N CB 0.050 38.176 38.487 -0.600 0.000 1.392 435 N HN 0.545 nan 8.380 nan 0.000 0.520 436 I N -0.932 119.455 120.570 -0.304 0.000 3.110 436 I HA 0.436 4.606 4.170 -0.000 0.000 0.314 436 I C -0.494 175.535 176.117 -0.146 0.000 1.020 436 I CA -0.767 60.434 61.300 -0.166 0.000 1.169 436 I CB 1.128 39.066 38.000 -0.105 0.000 1.437 436 I HN 0.299 nan 8.210 nan 0.000 0.595 437 Q N 2.435 122.182 119.800 -0.089 0.000 2.295 437 Q HA 0.443 4.783 4.340 -0.000 0.000 0.259 437 Q C -1.467 174.508 176.000 -0.040 0.000 0.966 437 Q CA -0.909 54.856 55.803 -0.063 0.000 0.763 437 Q CB 1.506 30.211 28.738 -0.056 0.000 1.283 437 Q HN 0.837 nan 8.270 nan 0.000 0.445 438 R N 1.670 122.152 120.500 -0.031 0.000 2.255 438 R HA 0.758 5.097 4.340 -0.000 0.000 0.326 438 R C 0.402 176.693 176.300 -0.014 0.000 0.986 438 R CA 0.300 56.388 56.100 -0.020 0.000 0.847 438 R CB 1.098 31.389 30.300 -0.015 0.000 1.111 438 R HN 0.919 nan 8.270 nan 0.000 0.452 439 G N 3.276 112.069 108.800 -0.013 0.000 2.566 439 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.280 439 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.280 439 G C 0.035 174.930 174.900 -0.010 0.000 1.225 439 G CA 0.496 45.591 45.100 -0.009 0.000 0.966 439 G HN 0.918 nan 8.290 nan 0.000 0.560 440 D N 0.503 120.899 120.400 -0.006 0.000 2.336 440 D HA 0.370 5.010 4.640 -0.000 0.000 0.228 440 D C 0.841 177.138 176.300 -0.004 0.000 1.120 440 D CA 0.729 54.725 54.000 -0.005 0.000 0.839 440 D CB 0.015 40.814 40.800 -0.003 0.000 0.932 440 D HN 0.416 nan 8.370 nan 0.000 0.509 441 S N -0.839 114.858 115.700 -0.005 0.000 2.593 441 S HA 0.584 5.054 4.470 -0.000 0.000 0.297 441 S C -0.224 174.370 174.600 -0.010 0.000 1.112 441 S CA -0.613 57.586 58.200 -0.002 0.000 1.043 441 S CB 1.854 65.056 63.200 0.002 0.000 1.054 441 S HN 0.099 nan 8.310 nan 0.000 0.516 442 T N 2.786 117.338 114.554 -0.003 0.000 2.791 442 T HA 0.589 4.939 4.350 -0.000 0.000 0.288 442 T C -0.042 174.659 174.700 0.002 0.000 0.999 442 T CA -0.464 61.623 62.100 -0.021 0.000 0.952 442 T CB 0.057 68.917 68.868 -0.014 0.000 0.938 442 T HN 0.587 nan 8.240 nan 0.000 0.444 443 I N -0.083 120.463 120.570 -0.040 0.000 3.264 443 I HA 0.802 4.972 4.170 -0.000 0.000 0.309 443 I C -1.609 174.471 176.117 -0.061 0.000 1.099 443 I CA -1.471 59.844 61.300 0.025 0.000 0.989 443 I CB 1.978 39.992 38.000 0.022 0.000 1.250 443 I HN 0.436 nan 8.210 nan 0.000 0.478 444 Y N 1.146 121.446 120.300 0.000 0.000 2.545 444 Y HA 0.721 5.270 4.550 -0.000 0.000 0.348 444 Y C -0.793 175.108 175.900 0.000 0.000 1.002 444 Y CA -0.668 57.432 58.100 0.000 0.000 1.039 444 Y CB 2.367 40.828 38.460 0.001 0.000 1.271 444 Y HN 0.340 nan 8.280 nan 0.000 0.467 445 L N 4.093 125.402 121.223 0.143 0.000 2.386 445 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 445 L C -1.194 175.734 176.870 0.097 0.000 0.993 445 L CA -0.736 54.157 54.840 0.090 0.000 0.819 445 L CB 1.934 44.015 42.059 0.038 0.000 1.294 445 L HN 0.437 nan 8.230 nan 0.000 0.414 446 L N 3.155 124.420 121.223 0.070 0.000 2.330 446 L HA 0.675 5.014 4.340 -0.000 0.000 0.271 446 L C -0.492 176.400 176.870 0.036 0.000 1.013 446 L CA -0.496 54.377 54.840 0.056 0.000 0.816 446 L CB 2.039 44.123 42.059 0.041 0.000 1.287 446 L HN 0.557 nan 8.230 nan 0.000 0.435 447 M N 1.990 121.608 119.600 0.031 0.000 2.386 447 M HA 0.419 4.899 4.480 -0.000 0.000 0.293 447 M C -0.874 175.436 176.300 0.018 0.000 1.120 447 M CA -0.443 54.870 55.300 0.022 0.000 0.909 447 M CB 2.351 34.963 32.600 0.021 0.000 1.661 447 M HN 0.678 nan 8.290 nan 0.000 0.452 448 Q N 0.000 119.808 119.800 0.014 0.000 2.315 448 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 448 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 448 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 448 Q HN 0.000 nan 8.270 nan 0.000 0.481